interdiffusion_paper/references.bib

@article{1909.02030v3,
 author = {Zepeda-Ruiz, Luis A. and Stukowski, Alexander and Oppelstrup, Tomas and Bertin, Nicolas and Barton, Nathan R. and Freitas, Rodrigo and Bulatov, Vasily V.},
 title = {Metal hardening in atomistic detail},
 year = {2019},
 month = {sep},
 url = {http://arxiv.org/abs/1909.02030v3},
 date = {2019-09-04T18:07:58Z},
 eprint = {1909.02030v3},
 eprintclass = {cond-mat.mtrl-sci},
 eprinttype = {arxiv},
 urldate = {2021-04-09T17:40:47.759973Z}
}

@article{1950,
 author = {Irving, J. H. and Kirkwood, John G.},
 title = {The Statistical Mechanical Theory of Transport Processes. IV. The Equations of Hydrodynamics},
 publisher = {AIP Publishing},
 year = {1950},
 month = {jun},
 number = {6},
 volume = {18},
 pages = {817--829},
 url = {https://doi.org/10.1063\%2F1.1747782},
 doi = {10.1063/1.1747782}
}

@article{1951,
 author = {Sylwestrowicz, W and Hall, E O},
 title = {The Deformation and Ageing of Mild Steel},
 publisher = {IOP Publishing},
 year = {1951},
 month = {jun},
 number = {6},
 volume = {64},
 pages = {495--502},
 url = {https://doi.org/10.1088\%2F0370-1301\%2F64\%2F6\%2F305},
 doi = {10.1088/0370-1301/64/6/305}
}

@article{1967,
 author = {Pino, Andrew De},
 title = {Helium Production by (n,$p̆alpha$) Reactions in Stainless Steel},
 publisher = {Informa UK Limited},
 year = {1967},
 month = {oct},
 number = {10},
 volume = {3},
 pages = {620--625},
 url = {https://doi.org/10.13182\%2Fnt67-a27921},
 doi = {10.13182/nt67-a27921}
}

@article{1967a,
 author = {Foreman, A. J. E.},
 title = {The bowing of a dislocation segment},
 publisher = {Informa UK Limited},
 year = {1967},
 month = {may},
 number = {137},
 volume = {15},
 pages = {1011--1021},
 url = {https://doi.org/10.1080\%2F14786436708221645},
 doi = {10.1080/14786436708221645}
}

@article{1967b,
 author = {Cawthorne, C. and Fulton, E. J.},
 title = {Voids in Irradiated Stainless Steel},
 publisher = {Springer Science and Business Media LLC},
 year = {1967},
 month = {nov},
 number = {5115},
 volume = {216},
 pages = {575--576},
 url = {https://doi.org/10.1038\%2F216575a0},
 doi = {10.1038/216575a0}
}

@article{1968,
 author = {Kramer, D. and Brager, H. R. and Rhodes, C. G. and Pard, A. G.},
 title = {Helium embrittlement in type 304 stainless steel},
 publisher = {Elsevier BV},
 year = {1968},
 month = {feb},
 number = {2},
 volume = {25},
 pages = {121--131},
 url = {https://doi.org/10.1016\%2F0022-3115\%2868\%2990038-x},
 doi = {10.1016/0022-3115(68)90038-x}
}

@article{1970,
 title = {The deformation of single crystals of copper and copper-zinc alloys containing alumina particles - II. Microstructure and dislocation-particle interactions},
 journal = {Proceedings of the Royal Society of London. A. Mathematical and Physical Sciences},
 author = {Humphreys, F.J and Hirsch, Peter Bernhard},
 publisher = {The Royal Society},
 year = {1970},
 month = {jul},
 number = {1532},
 volume = {318},
 pages = {73--92},
 url = {https://doi.org/10.1098\%2Frspa.1970.0134},
 doi = {10.1098/rspa.1970.0134}
}

@article{1972,
 author = {Hirth, J. P.},
 title = {The influence of grain boundaries on mechanical properties},
 journal = {Metallurgical Transactions},
 publisher = {Springer Science and Business Media LLC},
 year = {1972},
 month = {dec},
 number = {12},
 volume = {3},
 pages = {3047--3067},
 url = {https://doi.org/10.1007\%2Fbf02661312},
 doi = {10.1007/bf02661312}
}

@article{1972a,
 author = {Bauer, A. A. and Kangilaski, M.},
 title = {Helium generation in stainless steel and nickel},
 publisher = {Elsevier BV},
 year = {1972},
 month = {jan},
 number = {1},
 volume = {42},
 pages = {91--95},
 url = {https://doi.org/10.1016\%2F0022-3115\%2872\%2990011-6},
 doi = {10.1016/0022-3115(72)90011-6}
}

@article{1975,
 author = {Wiffen, F. W. and Bloom, E. E.},
 title = {Effect of High helium Content on Stainless-Steel Swelling},
 publisher = {Informa UK Limited},
 year = {1975},
 month = {jan},
 number = {1},
 volume = {25},
 pages = {113--123},
 url = {https://doi.org/10.13182\%2Fnt75-a24354},
 doi = {10.13182/nt75-a24354}
}

@article{1976,
 author = {Hillert, Mats and Sundman, Bo},
 title = {A treatment of the solute drag on moving grain boundaries and phase interfaces in binary alloys},
 publisher = {Elsevier BV},
 year = {1976},
 month = {aug},
 number = {8},
 volume = {24},
 pages = {731--743},
 url = {https://doi.org/10.1016\%2F0001-6160\%2876\%2990108-5},
 doi = {10.1016/0001-6160(76)90108-5}
}

@article{1978,
 author = {Sagüés, A. A. and Schroeder, H. and Kesternich, W. and Ullmaier, H.},
 title = {The influence of helium on the high temperature mechanical properties of an austenitic stainless steel},
 publisher = {Elsevier BV},
 year = {1978},
 month = {dec},
 number = {2},
 volume = {78},
 pages = {289--298},
 url = {https://doi.org/10.1016\%2F0022-3115\%2878\%2990450-6},
 doi = {10.1016/0022-3115(78)90450-6}
}

@article{1980,
 author = {Farrell, K.},
 title = {Experimental effects of helium on cavity formation during irradiation—a review},
 publisher = {Informa UK Limited},
 year = {1980},
 month = {jan},
 number = {3-4},
 volume = {53},
 pages = {175--194},
 url = {https://doi.org/10.1080\%2F00337578008207114},
 doi = {10.1080/00337578008207114}
}

@article{1990,
 author = {Hirth, J. P. and Feng, Xiaoxin},
 title = {Critical layer thickness for misfit dislocation stability in multilayer structures},
 publisher = {AIP Publishing},
 year = {1990},
 month = {apr},
 number = {7},
 volume = {67},
 pages = {3343--3349},
 url = {https://doi.org/10.1063\%2F1.345371},
 doi = {10.1063/1.345371}
}

@article{1994,
 author = {Scott, P.},
 title = {A review of irradiation assisted stress corrosion cracking},
 publisher = {Elsevier BV},
 year = {1994},
 month = {aug},
 number = {2},
 volume = {211},
 pages = {101--122},
 url = {https://doi.org/10.1016\%2F0022-3115\%2894\%2990360-3},
 doi = {10.1016/0022-3115(94)90360-3}
}

@article{1994a,
 author = {Was, G. S. and Bruemmer, S. M.},
 title = {Effects of irradiation on intergranular stress corrosion cracking},
 publisher = {Elsevier BV},
 year = {1994},
 month = {oct},
 volume = {216},
 pages = {326--347},
 url = {https://doi.org/10.1016\%2F0022-3115\%2894\%2990019-1},
 doi = {10.1016/0022-3115(94)90019-1}
}

@article{1996,
 author = {Ishiyama, Yoshihide and Kodama, Mitsuhiro and Yokota, Norikatsu and Asano, Kyoichi and Kato, Takahiko and Fukuya, Kouji},
 title = {Post-irradiation annealing effects on microstructure and helium bubbles in neutron irradiated type 304 stainless steel},
 publisher = {Elsevier BV},
 year = {1996},
 month = {dec},
 volume = {239},
 pages = {90--94},
 url = {https://doi.org/10.1016\%2Fs0022-3115\%2896\%2900465-5},
 doi = {10.1016/s0022-3115(96)00465-5}
}

@article{1998,
 author = {Masumura, R. A. and Hazzledine, P. M. and Pande, C. S.},
 title = {Yield stress of fine grained materials},
 publisher = {Elsevier BV},
 year = {1998},
 month = {aug},
 number = {13},
 volume = {46},
 pages = {4527--4534},
 url = {https://doi.org/10.1016\%2Fs1359-6454\%2898\%2900150-5},
 doi = {10.1016/s1359-6454(98)00150-5}
}

@article{1999,
 author = {Anderson, P. M. and Foecke, T. and Hazzledine, P. M.},
 title = {Dislocation-Based Deformation Mechanisms in Metallic Nanolaminates},
 publisher = {Springer Science and Business Media LLC},
 year = {1999},
 month = {feb},
 number = {2},
 volume = {24},
 pages = {27--33},
 url = {https://doi.org/10.1557\%2Fs0883769400051514},
 doi = {10.1557/s0883769400051514}
}

@article{1999a,
 author = {Anderson, P. M. and Rao, S. and Cheng, Y. and Hazzledine, P. M.},
 title = {The Critical Stress for Transmission of a Dislocation Across an Interface: Results From Peierls and Embedded Atom Models},
 publisher = {Springer Science and Business Media LLC},
 year = {1999},
 volume = {586},
 url = {https://doi.org/10.1557\%2Fproc-586-267},
 doi = {10.1557/proc-586-267}
}

@article{2000,
 author = {Chen, Jianqiao and Kitaoka, Seiichiro},
 publisher = {Springer Science and Business Media LLC},
 year = {2000},
 number = {4},
 volume = {100},
 pages = {307--320},
 url = {https://doi.org/10.1023\%2Fa\%3A1018681016860},
 doi = {10.1023/a:1018681016860}
}

@article{2000a,
 author = {Koch, Carl C. and Narayan, J.},
 title = {The Inverse Hall-Petch Effect—Fact or Artifact?},
 publisher = {Springer Science and Business Media LLC},
 year = {2000},
 volume = {634},
 url = {https://doi.org/10.1557\%2Fproc-634-b5.1.1},
 doi = {10.1557/proc-634-b5.1.1}
}

@article{2004,
 author = {Pokor, C and Brechet, Y and Dubuisson, P and Massoud, J. -P and Averty, X},
 title = {Irradiation damage in 304 and 316 stainless steels: experimental investigation and modeling. Part {II}: Irradiation induced hardening},
 publisher = {Elsevier {BV}},
 year = {2004},
 month = {mar},
 number = {1},
 volume = {326},
 pages = {30--37},
 url = {https://doi.org/10.1016\%2Fj.jnucmat.2003.12.008},
 doi = {10.1016/j.jnucmat.2003.12.008}
}

@article{2009,
 author = {Pande, C. S. and Cooper, K. P.},
 title = {Nanomechanics of Hall{\textendash}Petch relationship in nanocrystalline materials},
 publisher = {Elsevier {BV}},
 year = {2009},
 month = {aug},
 number = {6},
 volume = {54},
 pages = {689--706},
 url = {https://doi.org/10.1016\%2Fj.pmatsci.2009.03.008},
 doi = {10.1016/j.pmatsci.2009.03.008}
}

@article{2010,
 author = {Jiao, Z. and Was, G. S.},
 title = {The role of irradiated microstructure in the localized deformation of austenitic stainless steels},
 publisher = {Elsevier BV},
 year = {2010},
 month = {dec},
 number = {1},
 volume = {407},
 pages = {34--43},
 url = {https://doi.org/10.1016\%2Fj.jnucmat.2010.07.006},
 doi = {10.1016/j.jnucmat.2010.07.006}
}

@article{2011,
 author = {Farahbakhsh, Iman and Zakeri, Alireza and Manikandan, Palavesamuthu and Hokamoto, Kazuyuki},
 title = {Structural Evolution of the Cu-Ni Solid Solution Formed by Ball Mechanical Alloying Treatment (BMAT)},
 publisher = {Trans Tech Publications, Ltd.},
 year = {2011},
 month = {jan},
 volume = {673},
 pages = {279--284},
 url = {https://doi.org/10.4028\%2Fwww.scientific.net\%2Fmsf.673.279},
 doi = {10.4028/www.scientific.net/msf.673.279}
}

@article{2011a,
 author = {Zhang, R. F. and Wang, J. and Beyerlein, I. J. and Germann, T. C.},
 title = {Dislocation nucleation mechanisms from fcc/bcc incoherent interfaces},
 publisher = {Elsevier BV},
 year = {2011},
 month = {dec},
 number = {11},
 volume = {65},
 pages = {1022--1025},
 url = {https://doi.org/10.1016\%2Fj.scriptamat.2011.09.008},
 doi = {10.1016/j.scriptamat.2011.09.008}
}

@article{2011b,
 author = {Toyama, T. and Nozawa, Y. and Renterghem, W. Van and Matsukawa, Y. and Hatakeyama, M. and Nagai, Y. and Mazouzi, A. Al and Dyck, S. Van},
 title = {Irradiation-induced precipitates in a neutron irradiated 304 stainless steel studied by three-dimensional atom probe},
 publisher = {Elsevier BV},
 year = {2011},
 month = {nov},
 number = {1-3},
 volume = {418},
 pages = {62--68},
 url = {https://doi.org/10.1016\%2Fj.jnucmat.2011.07.027},
 doi = {10.1016/j.jnucmat.2011.07.027}
}

@article{2012,
 author = {Wang, J. and Kang, K. and Zhang, R. F. and Zheng, S. J. and Beyerlein, I. J. and Mara, N. A.},
 title = {Structure and Property of Interfaces in ARB Cu/Nb Laminated Composites},
 publisher = {Springer Science and Business Media LLC},
 year = {2012},
 month = {aug},
 number = {10},
 volume = {64},
 pages = {1208--1217},
 url = {https://doi.org/10.1007\%2Fs11837-012-0429-7},
 doi = {10.1007/s11837-012-0429-7}
}

@article{2012a,
 author = {Kenik, Edward A. and Busby, Jeremy T.},
 title = {Radiation-induced degradation of stainless steel light water reactor internals},
 publisher = {Elsevier BV},
 year = {2012},
 month = {jul},
 number = {7-8},
 volume = {73},
 pages = {67--83},
 url = {https://doi.org/10.1016\%2Fj.mser.2012.05.002},
 doi = {10.1016/j.mser.2012.05.002}
}

@article{2013,
 author = {Wang, Jian and Zhang, Ruifeng and Zhou, Caizhi and Beyerlein, Irene J. and Misra, Amit},
 title = {Characterizing interface dislocations by atomically informed Frank-Bilby theory},
 publisher = {Springer Science and Business Media LLC},
 year = {2013},
 month = {apr},
 number = {13},
 volume = {28},
 pages = {1646--1657},
 url = {https://doi.org/10.1557\%2Fjmr.2013.34},
 doi = {10.1557/jmr.2013.34}
}

@article{2013a,
 author = {Zhang, R. F. and Germann, T. C. and Wang, J. and Liu, X. -Y. and Beyerlein, I. J.},
 title = {Role of interface structure on the plastic response of Cu/Nb nanolaminates under shock compression: Non-equilibrium molecular dynamics simulations},
 publisher = {Elsevier BV},
 year = {2013},
 month = {jan},
 number = {2},
 volume = {68},
 pages = {114--117},
 url = {https://doi.org/10.1016\%2Fj.scriptamat.2012.09.022},
 doi = {10.1016/j.scriptamat.2012.09.022}
}

@article{2014,
 author = {Wang, J. and Zhang, R. F. and Zhou, C. Z. and Beyerlein, I. J. and Misra, A.},
 title = {Interface dislocation patterns and dislocation nucleation in face-centered-cubic and body-centered-cubic bicrystal interfaces},
 publisher = {Elsevier BV},
 year = {2014},
 month = {feb},
 volume = {53},
 pages = {40--55},
 url = {https://doi.org/10.1016\%2Fj.ijplas.2013.07.002},
 doi = {10.1016/j.ijplas.2013.07.002}
}

@article{2015,
 author = {Osetsky, Yuri N. and Stoller, Roger E.},
 title = {Atomic-scale mechanisms of helium bubble hardening in iron},
 publisher = {Elsevier BV},
 year = {2015},
 month = {oct},
 volume = {465},
 pages = {448--454},
 url = {https://doi.org/10.1016\%2Fj.jnucmat.2015.05.034},
 doi = {10.1016/j.jnucmat.2015.05.034}
}

@article{2016,
 author = {Cordero, Z. C. and Knight, B. E. and Schuh, C. A.},
 title = {Six decades of the Hall–Petch effect – a survey of grain-size strengthening studies on pure metals},
 publisher = {Informa UK Limited},
 year = {2016},
 month = {jul},
 number = {8},
 volume = {61},
 pages = {495--512},
 url = {https://doi.org/10.1080\%2F09506608.2016.1191808},
 doi = {10.1080/09506608.2016.1191808}
}

@article{2016a,
 author = {Abe, Yosuke and Tsuru, Tomohito and Shi, Shi and Oono, Naoko and Ukai, Shigeharu},
 title = {Effect of the dilation caused by helium bubbles on edge dislocation motion in $p̆alpha$-iron: molecular dynamics simulation},
 publisher = {Informa UK Limited},
 year = {2016},
 month = {jan},
 number = {10},
 volume = {53},
 pages = {1528--1534},
 url = {https://doi.org/10.1080\%2F00223131.2015.1133332},
 doi = {10.1080/00223131.2015.1133332}
}

@article{2017,
 author = {Huang, Sixie and Beyerlein, Irene J. and Zhou, Caizhi},
 title = {Nanograin size effects on the strength of biphase nanolayered composites},
 publisher = {Springer Science and Business Media LLC},
 year = {2017},
 month = {sep},
 number = {1},
 volume = {7},
 url = {https://doi.org/10.1038\%2Fs41598-017-10064-z},
 doi = {10.1038/s41598-017-10064-z}
}

@article{2017a,
 author = {He, Mo-Rigen and Johnson, Drew C. and Was, Gary S. and Robertson, Ian M.},
 title = {The role of grain boundary microchemistry in irradiation-assisted stress corrosion cracking of a Fe-13Cr-15Ni alloy},
 publisher = {Elsevier BV},
 year = {2017},
 month = {oct},
 volume = {138},
 pages = {61--71},
 url = {https://doi.org/10.1016\%2Fj.actamat.2017.07.042},
 doi = {10.1016/j.actamat.2017.07.042}
}

@article{2018,
 author = {Iguchi, Yusuke and Katona, Gábor L. and Cserháti, Csaba and Langer, Gábor A. and Erdélyi, Zoltán},
 title = {On the miscibility gap of Cu-Ni system},
 publisher = {Elsevier BV},
 year = {2018},
 month = {apr},
 volume = {148},
 pages = {49--54},
 url = {https://doi.org/10.1016\%2Fj.actamat.2018.01.038},
 doi = {10.1016/j.actamat.2018.01.038}
}

@article{2018a,
 author = {Yu, Huihui and Xin, Yunchang and Wang, Maoyin and Liu, Qing},
 title = {Hall-Petch relationship in Mg alloys: A review},
 publisher = {Elsevier BV},
 year = {2018},
 month = {feb},
 number = {2},
 volume = {34},
 pages = {248--256},
 url = {https://doi.org/10.1016\%2Fj.jmst.2017.07.022},
 doi = {10.1016/j.jmst.2017.07.022}
}

@article{2018b,
 author = {Qin, W. and Chauhan, A. K. and Szpunar, J. A.},
 title = {Helium bubble nucleation at grain boundaries and its influence on intergranular fracture},
 publisher = {Informa UK Limited},
 year = {2018},
 month = {dec},
 number = {6},
 volume = {99},
 pages = {679--698},
 url = {https://doi.org/10.1080\%2F14786435.2018.1551634},
 doi = {10.1080/14786435.2018.1551634}
}

@article{2018c,
 author = {Torres, E. and Pencer, J.},
 title = {Molecular dynamics study of the role of symmetric tilt grain boundaries on the helium distribution in nickel},
 publisher = {Elsevier BV},
 year = {2018},
 month = {apr},
 volume = {502},
 pages = {86--94},
 url = {https://doi.org/10.1016\%2Fj.jnucmat.2018.01.046},
 doi = {10.1016/j.jnucmat.2018.01.046}
}

@article{2018d,
 author = {Qin, W. and Chauhan, A. K. and Szpunar, J. A.},
 title = {Helium bubble nucleation at grain boundaries and its influence on intergranular fracture},
 publisher = {Informa UK Limited},
 year = {2018},
 month = {dec},
 number = {6},
 volume = {99},
 pages = {679--698},
 url = {https://doi.org/10.1080\%2F14786435.2018.1551634},
 doi = {10.1080/14786435.2018.1551634}
}

@article{2019,
 author = {Yoshida, Shuhei and Ikeuchi, Takuto and Bhattacharjee, Tilak and Bai, Yu and Shibata, Akinobu and Tsuji, Nobuhiro},
 title = {Effect of elemental combination on friction stress and Hall-Petch relationship in face-centered cubic high / medium entropy alloys},
 publisher = {Elsevier BV},
 year = {2019},
 month = {jun},
 volume = {171},
 pages = {201--215},
 url = {https://doi.org/10.1016\%2Fj.actamat.2019.04.017},
 doi = {10.1016/j.actamat.2019.04.017}
}

@article{2019a,
 author = {Chen, Shuying and Tseng, Ko-Kai and Tong, Yang and Li, Weidong and Tsai, Che-Wei and Yeh, Jien-Wei and Liaw, Peter K.},
 title = {Grain growth and Hall-Petch relationship in a refractory HfNbTaZrTi high-entropy alloy},
 publisher = {Elsevier BV},
 year = {2019},
 month = {jul},
 volume = {795},
 pages = {19--26},
 url = {https://doi.org/10.1016\%2Fj.jallcom.2019.04.291},
 doi = {10.1016/j.jallcom.2019.04.291}
}

@article{2019b,
 author = {Naik, Sneha N. and Walley, Stephen M.},
 title = {The Hall–Petch and inverse Hall–Petch relations and the hardness of nanocrystalline metals},
 publisher = {Springer Science and Business Media LLC},
 year = {2019},
 month = {nov},
 number = {7},
 volume = {55},
 pages = {2661--2681},
 url = {https://doi.org/10.1007\%2Fs10853-019-04160-w},
 doi = {10.1007/s10853-019-04160-w}
}

@article{2019c,
 author = {Sun, Xiangyu and Chen, Feida and Huang, Hai and Lin, Jiwei and Tang, Xiaobin},
 title = {Effects of interfaces on the helium bubble formation and radiation hardening of an austenitic stainless steel achieved by additive manufacturing},
 publisher = {Elsevier BV},
 year = {2019},
 month = {feb},
 volume = {467-468},
 pages = {1134--1139},
 url = {https://doi.org/10.1016\%2Fj.apsusc.2018.10.268},
 doi = {10.1016/j.apsusc.2018.10.268}
}

@article{2020,
 author = {Wan, L. and Ma, S. G. and Zhang, R. J. and Cao, X. Z. and Jin, S. X. and Ye, X. Q. and Gao, T.},
 title = {Molecular dynamics simulations of helium migration, diffusion behavior of helium bubbles, and melting point of single crystal in bulk $p̆gamma$-Fe},
 publisher = {Springer Science and Business Media LLC},
 year = {2020},
 month = {oct},
 number = {11},
 volume = {95},
 pages = {2375--2385},
 url = {https://doi.org/10.1007\%2Fs12648-020-01914-0},
 doi = {10.1007/s12648-020-01914-0}
}

@article{2020a,
 author = {Chen, Tianju and Yuan, Rui and Beyerlein, Irene J. and Zhou, Caizhi},
 title = {Predicting the size scaling in strength of nanolayered materials by a discrete slip crystal plasticity model},
 publisher = {Elsevier BV},
 year = {2020},
 month = {jan},
 volume = {124},
 pages = {247--260},
 url = {https://doi.org/10.1016\%2Fj.ijplas.2019.08.016},
 doi = {10.1016/j.ijplas.2019.08.016}
}

@article{2020b,
 author = {Paccou, Elie and Tanguy, Benoît and Legros, Marc},
 title = {Irradiation-assisted stress corrosion cracking susceptibility and mechanical properties related to irradiation-induced microstructures of 304L austenitic stainless steel},
 publisher = {Elsevier BV},
 year = {2020},
 month = {jan},
 volume = {528},
 pages = {151880},
 url = {https://doi.org/10.1016\%2Fj.jnucmat.2019.151880},
 doi = {10.1016/j.jnucmat.2019.151880}
}

@article{2021,
 author = {Liu, Haocheng and Huang, Jia and Wang, Chenxu and Xia, Songqin and Ge, Wei and Liu, Qingyuan and Su, Yue and Gao, Zhiying and Zhao, Shuang and Du, Congcong and Cao, Liuxuan and Shen, Tongde and Wang, Yugang},
 title = {Effects of grain boundaries and nano-precipitates on helium bubble behaviors in lanthanum-doped nanocrystalline steel},
 publisher = {Elsevier BV},
 year = {2021},
 month = {jul},
 volume = {200},
 pages = {113900},
 url = {https://doi.org/10.1016\%2Fj.scriptamat.2021.113900},
 doi = {10.1016/j.scriptamat.2021.113900}
}

@article{2021a,
 author = {Jian, Wu-Rong and Su, Yanqing and Xu, Shuozhi and Ji, Weisen and Beyerlein, Irene J.},
 title = {Effect of interface structure on dislocation glide behavior in nanolaminates},
 publisher = {Springer Science and Business Media LLC},
 year = {2021},
 month = {jun},
 number = {13},
 volume = {36},
 pages = {2802--2815},
 url = {https://doi.org/10.1557\%2Fs43578-021-00261-y},
 doi = {10.1557/s43578-021-00261-y}
}

@article{2021b,
 author = {Fukumoto, K. -i. and Mabuchi, T. and Yabuuchi, K. and Fujii, K.},
 title = {Irradiation hardening of stainless steel model alloy after Fe-ion irradiation and post-irradiation annealing treatment},
 publisher = {Elsevier BV},
 year = {2021},
 month = {dec},
 volume = {557},
 pages = {153296},
 url = {https://doi.org/10.1016\%2Fj.jnucmat.2021.153296},
 doi = {10.1016/j.jnucmat.2021.153296}
}

@article{Abdolrahim_2014,
 author = {Abdolrahim, Niaz and Zbib, Hussein M. and Bahr, David F.},
 title = {Multiscale modeling and simulation of deformation in nanoscale metallic multilayer systems},
 journal = {International Journal of Plasticity},
 publisher = {Elsevier BV},
 year = {2014},
 month = {jan},
 volume = {52},
 pages = {33--50},
 url = {https://doi.org/10.1016\%2Fj.ijplas.2013.04.002},
 doi = {10.1016/j.ijplas.2013.04.002}
}

@article{Aboulfadl_2019,
 author = {Aboulfadl, Hisham and Seifried, Fabian and Stüber, Michael and Mücklich, Frank},
 title = {Interdiffusion in as-deposited Ni/Ti multilayer thin films analyzed by atom probe tomography},
 journal = {Materials Letters},
 publisher = {Elsevier BV},
 year = {2019},
 month = {feb},
 volume = {236},
 pages = {92--95},
 url = {https://doi.org/10.1016\%2Fj.matlet.2018.10.085},
 doi = {10.1016/j.matlet.2018.10.085}
}

@article{Akasheh_2007,
 author = {Akasheh, F. and Zbib, H. M. and Hirth, J. P. and Hoagland, R. G. and Misra, A.},
 title = {Interactions between glide dislocations and parallel interfacial dislocations in nanoscale strained layers},
 journal = {Journal of Applied Physics},
 publisher = {AIP Publishing},
 year = {2007},
 month = {aug},
 number = {3},
 volume = {102},
 pages = {034314},
 url = {https://doi.org/10.1063\%2F1.2757082},
 doi = {10.1063/1.2757082}
}

@article{An_2019,
 author = {An, M. R. and Song, H. Y. and Deng, Q. and Su, M. J. and Liu, Y. M.},
 title = {Influence of interface with mismatch dislocations on mechanical properties of Ti/Al nanolaminate},
 journal = {Journal of Applied Physics},
 publisher = {AIP Publishing},
 year = {2019},
 month = {apr},
 number = {16},
 volume = {125},
 pages = {165307},
 url = {https://doi.org/10.1063\%2F1.5085455},
 doi = {10.1063/1.5085455}
}

@article{Anciaux_2018,
 author = {Anciaux, G. and Junge, T. and Hodapp, M. and Cho, J. and Molinari, J. -F. and Curtin, W. A.},
 title = {The Coupled Atomistic/Discrete-Dislocation method in 3d part {I}: Concept and algorithms},
 journal = {Journal of the Mechanics and Physics of Solids},
 publisher = {Elsevier BV},
 year = {2018},
 month = {sep},
 volume = {118},
 pages = {152--171},
 url = {https://doi.org/10.1016\%2Fj.jmps.2018.05.004},
 doi = {10.1016/j.jmps.2018.05.004}
}

@article{Antillon_2019,
 author = {Antillon, E. and Woodward, C. and Rao, S. I. and Akdim, B. and Parthasarathy, T. A.},
 title = {A molecular dynamics technique for determining energy landscapes as a dislocation percolates through a field of solutes},
 journal = {Acta Materialia},
 publisher = {Elsevier BV},
 year = {2019},
 month = {mar},
 volume = {166},
 pages = {658--676},
 url = {https://doi.org/10.1016\%2Fj.actamat.2018.12.037},
 doi = {10.1016/j.actamat.2018.12.037}
}

@article{Antillon_2020,
 author = {Antillon, E. and Woodward, C. and Rao, S. I. and Akdim, B. and Parthasarathy, T. A.},
 title = {Chemical short range order strengthening in a model FCC high entropy alloy},
 journal = {Acta Materialia},
 publisher = {Elsevier BV},
 year = {2020},
 month = {may},
 volume = {190},
 pages = {29--42},
 url = {https://doi.org/10.1016\%2Fj.actamat.2020.02.041},
 doi = {10.1016/j.actamat.2020.02.041}
}

@article{Antillon_2020a,
 author = {Antillon, Edwin and Ghazisaeidi, Maryam},
 title = {Efficient determination of solid-state phase equilibrium with the multicell Monte Carlo method},
 journal = {Physical Review E},
 publisher = {American Physical Society (APS)},
 year = {2020},
 month = {jun},
 number = {6},
 volume = {101},
 url = {https://doi.org/10.1103\%2Fphysreve.101.063306},
 doi = {10.1103/physreve.101.063306}
}

@article{Antillon_2020b,
 author = {Antillon, E. and Woodward, C. and Rao, S. I. and Akdim, B. and Parthasarathy, T. A.},
 title = {Chemical short range order strengthening in a model FCC high entropy alloy},
 journal = {Acta Materialia},
 publisher = {Elsevier BV},
 year = {2020},
 month = {may},
 volume = {190},
 pages = {29--42},
 url = {https://doi.org/10.1016\%2Fj.actamat.2020.02.041},
 doi = {10.1016/j.actamat.2020.02.041}
}

@article{Anwar_Ali_2019,
 author = {Ali, Hashina Parveen Anwar and Budiman, Arief},
 title = {Advances in In situ microfracture experimentation techniques: A case of nanoscale metal–metal multilayered materials},
 journal = {Journal of Materials Research},
 publisher = {Cambridge University Press (CUP)},
 year = {2019},
 month = {mar},
 number = {9},
 volume = {34},
 pages = {1449--1468},
 url = {https://doi.org/10.1557\%2Fjmr.2019.75},
 doi = {10.1557/jmr.2019.75}
}

@article{Anwar_Ali_2019a,
 author = {Ali, Hashina Parveen Anwar and Radchenko, Ihor and Li, Nan and Budiman, Arief},
 title = {Effect of multilayer interface through in situ fracture of Cu/Nb and Al/Nb metallic multilayers},
 journal = {Journal of Materials Research},
 publisher = {Cambridge University Press (CUP)},
 year = {2019},
 month = {jan},
 number = {9},
 volume = {34},
 pages = {1564--1573},
 url = {https://doi.org/10.1557\%2Fjmr.2018.449},
 doi = {10.1557/jmr.2018.449}
}

@article{Armstrong_2016,
 author = {Armstrong, R. W.},
 title = {Hall–Petch description of nanopolycrystalline Cu, Ni and Al strength levels and strain rate sensitivities},
 journal = {Philosophical Magazine},
 publisher = {Informa UK Limited},
 year = {2016},
 month = {aug},
 number = {29},
 volume = {96},
 pages = {3097--3108},
 url = {https://doi.org/10.1080\%2F14786435.2016.1225168},
 doi = {10.1080/14786435.2016.1225168}
}

@article{Badia_2008,
 author = {Badia, Santiago and Parks, Michael and Bochev, Pavel and Gunzburger, Max and Lehoucq, Richard},
 title = {On Atomistic-to-Continuum Coupling by Blending},
 journal = {Multiscale Modeling \&amp$\mathsemicolon$ Simulation},
 publisher = {Society for Industrial \& Applied Mathematics (SIAM)},
 year = {2008},
 month = {jan},
 number = {1},
 volume = {7},
 pages = {381--406},
 url = {https://doi.org/10.1137\%2F07069969x},
 doi = {10.1137/07069969x}
}

@article{Bart_k_2013,
 author = {Bartók, Albert P. and Kondor, Risi and Csányi, Gábor},
 title = {On representing chemical environments},
 journal = {Physical Review B},
 publisher = {American Physical Society (APS)},
 year = {2013},
 month = {may},
 number = {18},
 volume = {87},
 url = {https://doi.org/10.1103\%2Fphysrevb.87.184115},
 doi = {10.1103/physrevb.87.184115}
}

@article{Bertin_2020,
 author = {Bertin, Nicolas and Sills, Ryan B. and Cai, Wei},
 title = {Frontiers in the Simulation of Dislocations},
 journal = {Annual Review of Materials Research},
 publisher = {Annual Reviews},
 year = {2020},
 month = {jul},
 number = {1},
 volume = {50},
 pages = {437--464},
 url = {https://doi.org/10.1146\%2Fannurev-matsci-091819-015500},
 doi = {10.1146/annurev-matsci-091819-015500}
}

@article{Bitzek_2004,
 author = {Bitzek, Erik and Gumbsch, Peter},
 title = {Atomistic study of drag, surface and inertial effects on edge dislocations in face-centered cubic metals},
 journal = {Materials Science and Engineering: A},
 publisher = {Elsevier BV},
 year = {2004},
 month = {dec},
 volume = {387-389},
 pages = {11--15},
 url = {https://doi.org/10.1016\%2Fj.msea.2004.01.092},
 doi = {10.1016/j.msea.2004.01.092}
}

@article{Bitzek_2006,
 author = {Bitzek, Erik and Koskinen, Pekka and Gähler, Franz and Moseler, Michael and Gumbsch, Peter},
 title = {Structural Relaxation Made Simple},
 journal = {Physical Review Letters},
 publisher = {American Physical Society (APS)},
 year = {2006},
 month = {oct},
 number = {17},
 volume = {97},
 url = {https://doi.org/10.1103\%2Fphysrevlett.97.170201},
 doi = {10.1103/physrevlett.97.170201}
}

@article{Blanc_2010,
 author = {Blanc, X. and Le~Bris, C. and Legoll, F. and Patz, C.},
 title = {Finite-Temperature Coarse-Graining of~One-Dimensional Models: Mathematical Analysis and~Computational Approaches},
 journal = {Journal of Nonlinear Science},
 publisher = {Springer Science and Business Media LLC},
 year = {2010},
 month = {feb},
 number = {2},
 volume = {20},
 pages = {241--275},
 url = {https://doi.org/10.1007\%2Fs00332-009-9057-y},
 doi = {10.1007/s00332-009-9057-y}
}

@article{Bonny_2011,
 author = {Bonny, G. and Pasianot, R. C. and Terentyev, D. and Malerba, L.},
 title = {Iron chromium potential to model high-chromium ferritic alloys},
 journal = {Philosophical Magazine},
 publisher = {Informa UK Limited},
 year = {2011},
 month = {apr},
 number = {12},
 volume = {91},
 pages = {1724--1746},
 url = {https://doi.org/10.1080\%2F14786435.2010.545780},
 doi = {10.1080/14786435.2010.545780}
}

@article{Bonny_2011a,
 author = {Bonny, G and Terentyev, D and Pasianot, R C and Poncé, S and Bakaev, A},
 title = {Interatomic potential to study plasticity in stainless steels: the FeNiCr model alloy},
 journal = {Modelling and Simulation in Materials Science and Engineering},
 publisher = {IOP Publishing},
 year = {2011},
 month = {nov},
 number = {8},
 volume = {19},
 pages = {085008},
 url = {https://doi.org/10.1088\%2F0965-0393\%2F19\%2F8\%2F085008},
 doi = {10.1088/0965-0393/19/8/085008}
}

@article{Bryukhanov_2020,
 author = {Bryukhanov, I. A.},
 title = {Dynamics of edge dislocation in Cu–Ni solid solution alloys at atomic scale},
 journal = {International Journal of Plasticity},
 publisher = {Elsevier BV},
 year = {2020},
 month = {dec},
 volume = {135},
 pages = {102834},
 url = {https://doi.org/10.1016\%2Fj.ijplas.2020.102834},
 doi = {10.1016/j.ijplas.2020.102834}
}

@article{Bussi_2007,
 author = {Bussi, Giovanni and Donadio, Davide and Parrinello, Michele},
 title = {Canonical sampling through velocity rescaling},
 journal = {The Journal of Chemical Physics},
 publisher = {AIP Publishing},
 year = {2007},
 month = {jan},
 number = {1},
 volume = {126},
 pages = {014101},
 url = {https://doi.org/10.1063\%2F1.2408420},
 doi = {10.1063/1.2408420}
}

@article{Cao_2019,
 author = {Cao, Z. H. and Cai, Y. P. and Sun, C. and Ma, Y. J. and Wei, M. Z. and Li, Q. and Lu, H. M. and Wang, H. and Zhang, X. and Meng, X. K.},
 title = {Tailoring strength and plasticity of Ag/Nb nanolaminates via intrinsic microstructure and extrinsic dimension},
 journal = {International Journal of Plasticity},
 publisher = {Elsevier BV},
 year = {2019},
 month = {feb},
 volume = {113},
 pages = {145--157},
 url = {https://doi.org/10.1016\%2Fj.ijplas.2018.09.012},
 doi = {10.1016/j.ijplas.2018.09.012}
}

@article{Carpenter_2012,
 author = {Carpenter, John S. and Misra, Amit and Anderson, Peter M.},
 title = {Achieving maximum hardness in semi-coherent multilayer thin films with unequal layer thickness},
 journal = {Acta Materialia},
 publisher = {Elsevier BV},
 year = {2012},
 month = {apr},
 number = {6-7},
 volume = {60},
 pages = {2625--2636},
 url = {https://doi.org/10.1016\%2Fj.actamat.2012.01.029},
 doi = {10.1016/j.actamat.2012.01.029}
}

@article{Carter_1977,
 author = {Carter, C. B. and Ray, I. L. F.},
 title = {On the stacking-fault energies of copper alloys},
 journal = {Philosophical Magazine},
 publisher = {Informa UK Limited},
 year = {1977},
 month = {jan},
 number = {1},
 volume = {35},
 pages = {189--200},
 url = {https://doi.org/10.1080\%2F14786437708235982},
 doi = {10.1080/14786437708235982}
}

@article{Chamoin_2010,
 author = {Chamoin, Ludovic and Prudhomme, Serge and Dhia, H. Ben and Oden, Tinsley},
 title = {Ghost forces and spurious effects in atomic-to-continuum coupling methods by the Arlequin approach},
 journal = {International Journal for Numerical Methods in Engineering},
 publisher = {Wiley},
 year = {2010},
 month = {aug},
 number = {8-9},
 volume = {83},
 pages = {1081--1113},
 url = {https://doi.org/10.1002\%2Fnme.2879},
 doi = {10.1002/nme.2879}
}

@article{Chandra_2018,
 author = {Chandra, S. and Samal, M. K. and Chavan, V. M. and Raghunathan, S.},
 title = {Hierarchical multiscale modeling of plasticity in copper: From single crystals to polycrystalline aggregates},
 journal = {International Journal of Plasticity},
 publisher = {Elsevier BV},
 year = {2018},
 month = {feb},
 volume = {101},
 pages = {188--212},
 url = {https://doi.org/10.1016\%2Fj.ijplas.2017.10.014},
 doi = {10.1016/j.ijplas.2017.10.014}
}

@article{Chavoshi_2016,
 author = {Chavoshi, Saeed Zare and Xu, Shuozhi and Luo, Xichun},
 title = {Dislocation-mediated plasticity in silicon during nanometric cutting: A molecular dynamics simulation study},
 journal = {Materials Science in Semiconductor Processing},
 publisher = {Elsevier BV},
 year = {2016},
 month = {aug},
 volume = {51},
 pages = {60--70},
 url = {https://doi.org/10.1016\%2Fj.mssp.2016.05.003},
 doi = {10.1016/j.mssp.2016.05.003}
}

@article{Chavoshi_2019,
 author = {Chavoshi, Saeed Zare and Xu, Shuozhi},
 title = {Nanoindentation/scratching at finite temperatures: Insights from atomistic-based modeling},
 journal = {Progress in Materials Science},
 publisher = {Elsevier BV},
 year = {2019},
 month = {feb},
 volume = {100},
 pages = {1--20},
 url = {https://doi.org/10.1016\%2Fj.pmatsci.2018.09.002},
 doi = {10.1016/j.pmatsci.2018.09.002}
}

@article{Chen_2004,
 author = {Chen, Youping and Lee, James D. and Eskandarian, Azim},
 title = {Atomistic viewpoint of the applicability of microcontinuum theories},
 journal = {International Journal of Solids and Structures},
 publisher = {Elsevier BV},
 year = {2004},
 month = {apr},
 number = {8},
 volume = {41},
 pages = {2085--2097},
 url = {https://doi.org/10.1016\%2Fj.ijsolstr.2003.11.030},
 doi = {10.1016/j.ijsolstr.2003.11.030}
}

@article{Chen_2018,
 author = {Chen, X. Y. and Kong, X. F. and Misra, A. and Legut, D. and Yao, B. N. and Germann, T. C. and Zhang, R. F.},
 title = {Effect of dynamic evolution of misfit dislocation pattern on dislocation nucleation and shear sliding at semi-coherent bimetal interfaces},
 journal = {Acta Materialia},
 publisher = {Elsevier BV},
 year = {2018},
 month = {jan},
 volume = {143},
 pages = {107--120},
 url = {https://doi.org/10.1016\%2Fj.actamat.2017.10.012},
 doi = {10.1016/j.actamat.2017.10.012}
}

@article{Chen_2018a,
 author = {Chen, Hao and Xu, Shuozhi and Li, Weixuan and Ji, Rigelesaiyin and Phan, Thanh and Xiong, Liming},
 title = {A spatial decomposition parallel algorithm for a concurrent atomistic-continuum simulator and its preliminary applications},
 journal = {Computational Materials Science},
 publisher = {Elsevier BV},
 year = {2018},
 month = {mar},
 volume = {144},
 pages = {1--10},
 url = {https://doi.org/10.1016\%2Fj.commatsci.2017.11.051},
 doi = {10.1016/j.commatsci.2017.11.051}
}

@article{Chen_2018b,
 author = {Chen, Youping and Diaz, Adrian},
 title = {Physical foundation and consistent formulation of atomic-level fluxes in transport processes},
 journal = {Physical Review E},
 publisher = {American Physical Society (APS)},
 year = {2018},
 month = {nov},
 number = {5},
 volume = {98},
 url = {https://doi.org/10.1103\%2Fphysreve.98.052113},
 doi = {10.1103/physreve.98.052113}
}

@article{Chen_2019,
 author = {Chen, Youping and Shabanov, Sergei and McDowell, David L.},
 title = {Concurrent atomistic-continuum modeling of crystalline materials},
 journal = {Journal of Applied Physics},
 publisher = {AIP Publishing},
 year = {2019},
 month = {sep},
 number = {10},
 volume = {126},
 pages = {101101},
 url = {https://doi.org/10.1063\%2F1.5099653},
 doi = {10.1063/1.5099653}
}

@article{Chen_2019a,
 author = {Chen, Dengke and Costello, Luke L. and Geller, Clint B. and Zhu, Ting and McDowell, David L.},
 title = {Atomistic modeling of dislocation cross-slip in nickel using free-end nudged elastic band method},
 journal = {Acta Materialia},
 publisher = {Elsevier BV},
 year = {2019},
 month = {apr},
 volume = {168},
 pages = {436--447},
 url = {https://doi.org/10.1016\%2Fj.actamat.2019.02.035},
 doi = {10.1016/j.actamat.2019.02.035}
}

@article{Chen_2020,
 author = {Chen, Y. and Li, N. and Hoagland, R. G. and Liu, X. -Y. and Baldwin, J. K. and Beyerlein, I. J. and Cheng, J. Y. and Mara, N. A.},
 title = {Effects of three-dimensional Cu/Nb interfaces on strengthening and shear banding in nanoscale metallic multilayers},
 journal = {Acta Materialia},
 publisher = {Elsevier BV},
 year = {2020},
 month = {aug},
 url = {https://doi.org/10.1016\%2Fj.actamat.2020.08.019},
}

@article{Chen_2022,
 author = {Chen, Chen and Zhang, Fucheng and Xu, Hao and Yang, Zhinan and Poletaev, Gennady M.},
 title = {Molecular dynamics simulations of dislocation–coherent twin boundary interaction in face-centered cubic metals},
 journal = {Journal of Materials Science},
 publisher = {Springer Science and Business Media LLC},
 year = {2022},
 month = {jan},
 number = {3},
 volume = {57},
 pages = {1833--1849},
 url = {https://doi.org/10.1007\%2Fs10853-021-06837-7},
 doi = {10.1007/s10853-021-06837-7}
}

@article{Cheng_2022,
 author = {Cheng, Justin Y. and Xu, Shuozhi and Chen, Youxing and Li, Zezhou and Baldwin, Jon K. and Beyerlein, Irene J. and Mara, Nathan A.},
 title = {Simultaneous High-Strength and Deformable Nanolaminates With Thick Biphase Interfaces},
 journal = {Nano Letters},
 publisher = {American Chemical Society (ACS)},
 year = {2022},
 month = {feb},
 number = {5},
 volume = {22},
 pages = {1897--1904},
 url = {https://doi.org/10.1021\%2Facs.nanolett.1c04144},
 doi = {10.1021/acs.nanolett.1c04144}
}

@article{Chl_dek_1996,
 author = {Chládek, M. and Dorner, C. and Buchal, A. and Valvoda, V. and Hoffmann, H.},
 title = {Quantitativeinsitux-ray diffraction analysis of magnetic multilayers during annealing},
 journal = {Journal of Applied Physics},
 publisher = {AIP Publishing},
 year = {1996},
 month = {aug},
 number = {3},
 volume = {80},
 pages = {1437--1445},
 url = {https://doi.org/10.1063\%2F1.363011},
 doi = {10.1063/1.363011}
}

@article{Chu_2022,
 author = {Chu, Kevin and Diaz, Adrian and Chen, Youping and Zhu, Ting and McDowell, David L.},
 title = {Multiscale Concurrent Atomistic-Continuum (CAC) modeling of multicomponent alloys},
 journal = {Computational Materials Science},
 publisher = {Elsevier BV},
 year = {2022},
 month = {jan},
 volume = {201},
 pages = {110873},
 url = {https://doi.org/10.1016\%2Fj.commatsci.2021.110873},
 doi = {10.1016/j.commatsci.2021.110873}
}

@article{Cohen_1999,
 author = {Cohen, T. and Yahalom, J. and Kaplan, W. D.},
 title = {Electrodeposition of Metallic Multilayers by a Pulse Method},
 journal = {Reviews in Analytical Chemistry},
 publisher = {Walter de Gruyter {GmbH}},
 year = {1999},
 month = {jan},
 number = {5},
 volume = {18},
 url = {https://doi.org/10.1515\%2Frevac.1999.18.5.279},
 doi = {10.1515/revac.1999.18.5.279}
}

@article{Couret_1993,
 author = {Couret, A. and Crestou, J. and Farenc, S. and Molenat, G. and Clement, N. and Coujou, A. and Caillard, D.},
 title = {In situ deformation in {T}.{E}.{M}.: recent developments},
 journal = {Microscopy Microanalysis Microstructures},
 publisher = {EDP Sciences},
 year = {1993},
 number = {2-3},
 volume = {4},
 pages = {153--170},
 url = {https://doi.org/10.1051\%2Fmmm\%3A0199300402-3015300},
 doi = {10.1051/mmm:0199300402-3015300}
}

@article{Damadam_2017,
 author = {Damadam, Mohsen and Shao, Shuai and Ayoub, Georges and Zbib, Hussein M.},
 title = {Recent advances in modeling of interfaces and mechanical behavior of multilayer metallic/ceramic composites},
 journal = {Journal of Materials Science},
 publisher = {Springer Science and Business Media LLC},
 year = {2017},
 month = {oct},
 number = {8},
 volume = {53},
 pages = {5604--5617},
 url = {https://doi.org/10.1007\%2Fs10853-017-1704-3},
 doi = {10.1007/s10853-017-1704-3}
}

@article{Damadam_2017a,
 author = {Damadam, Mohsen and Shao, Shuai and Salehinia, Iman and Mastorakos, Ioannis and Ayoub, Georges and Zbib, Hussein M.},
 title = {Strength and plastic deformation behavior of nanolaminate composites with pre-existing dislocations},
 journal = {Computational Materials Science},
 publisher = {Elsevier BV},
 year = {2017},
 month = {oct},
 volume = {138},
 pages = {42--48},
 url = {https://doi.org/10.1016\%2Fj.commatsci.2017.06.016},
 doi = {10.1016/j.commatsci.2017.06.016}
}

@article{Dang_2018,
 author = {Dang, Khanh and Spearot, Douglas},
 title = {Pressure Dependence of the Peierls Stress in Aluminum},
 journal = {JOM},
 publisher = {Springer Science and Business Media LLC},
 year = {2018},
 month = {mar},
 number = {7},
 volume = {70},
 pages = {1094--1099},
 url = {https://doi.org/10.1007\%2Fs11837-018-2819-y},
 doi = {10.1007/s11837-018-2819-y}
}

@article{Daw_1984,
 author = {Daw, Murray S. and Baskes, M. I.},
 title = {Embedded-atom method: Derivation and application to impurities, surfaces, and other defects in metals},
 journal = {Physical Review B},
 publisher = {American Physical Society (APS)},
 year = {1984},
 month = {jun},
 number = {12},
 volume = {29},
 pages = {6443--6453},
 url = {https://doi.org/10.1103\%2Fphysrevb.29.6443},
 doi = {10.1103/physrevb.29.6443}
}

@article{Demkowicz_2011,
 author = {Demkowicz, M. J. and Thilly, L.},
 title = {Structure, shear resistance and interaction with point defects of interfaces in Cu–Nb nanocomposites synthesized by severe plastic deformation},
 journal = {Acta Materialia},
 publisher = {Elsevier BV},
 year = {2011},
 month = {dec},
 number = {20},
 volume = {59},
 pages = {7744--7756},
 url = {https://doi.org/10.1016\%2Fj.actamat.2011.09.004},
 doi = {10.1016/j.actamat.2011.09.004}
}

@article{Demkowicz_2020,
 author = {Demkowicz, Michael J.},
 title = {A threshold density of helium bubbles induces a ductile-to-brittle transition at a grain boundary in nickel},
 journal = {Journal of Nuclear Materials},
 publisher = {Elsevier BV},
 year = {2020},
 month = {may},
 volume = {533},
 pages = {152118},
 url = {https://doi.org/10.1016\%2Fj.jnucmat.2020.152118},
 doi = {10.1016/j.jnucmat.2020.152118}
}

@article{Dewald_2006,
 author = {Dewald, M and Curtin, W A},
 title = {Analysis and minimization of dislocation interactions with atomistic/continuum interfaces},
 journal = {Modelling and Simulation in Materials Science and Engineering},
 publisher = {IOP Publishing},
 year = {2006},
 month = {apr},
 number = {3},
 volume = {14},
 pages = {497--514},
 url = {https://doi.org/10.1088\%2F0965-0393\%2F14\%2F3\%2F011},
 doi = {10.1088/0965-0393/14/3/011}
}

@incollection{Diaz_2018,
 author = {Diaz, Adrian and McDowell, David and Chen, Youping},
 title = {The Limitations and Successes of Concurrent Dynamic Multiscale Modeling Methods at the Mesoscale},
 publisher = {Springer International Publishing},
 year = {2018},
 pages = {55--77},
 url = {https://doi.org/10.1007\%2F978-3-319-77504-3_3},
 doi = {10.1007/978-3-319-77504-3_3},
 booktitle = {Advanced Structured Materials}
}

@article{Diaz_2022,
 author = {Diaz, Adrian and Gu, Boyang and Li, Yang and Plimpton, Steven J. and McDowell, David L. and Chen, Youping},
 title = {A parallel algorithm for the concurrent atomistic-continuum methodology},
 journal = {Journal of Computational Physics},
 publisher = {Elsevier BV},
 year = {2022},
 month = {aug},
 volume = {463},
 pages = {111140},
 url = {https://doi.org/10.1016\%2Fj.jcp.2022.111140},
 doi = {10.1016/j.jcp.2022.111140}
}

@article{Ding_2019,
 author = {Ding, Yuqing and Pencer, Jeremy and Torres, Edmanuel},
 title = {Atomistic simulation study of the helium effects on the deformation behavior in nickel bicrystals},
 journal = {Journal of Nuclear Materials},
 publisher = {Elsevier BV},
 year = {2019},
 month = {apr},
 volume = {516},
 pages = {247--254},
 url = {https://doi.org/10.1016\%2Fj.jnucmat.2019.01.018},
 doi = {10.1016/j.jnucmat.2019.01.018}
}

@article{Dobson_2016,
 author = {Dobson, Matthew and Fox, Ian and Saracino, Alexandra},
 title = {Cell list algorithms for nonequilibrium molecular dynamics},
 journal = {Journal of Computational Physics},
 publisher = {Elsevier BV},
 year = {2016},
 month = {jun},
 volume = {315},
 pages = {211--220},
 url = {https://doi.org/10.1016\%2Fj.jcp.2016.03.056},
 doi = {10.1016/j.jcp.2016.03.056}
}

@article{Dodaran_2019,
 author = {Dodaran, M. and Wang, J. and Chen, Y. and Meng, W. J. and Shao, S.},
 title = {Energetic, structural and mechanical properties of terraced interfaces},
 journal = {Acta Materialia},
 publisher = {Elsevier BV},
 year = {2019},
 month = {jun},
 volume = {171},
 pages = {92--107},
 url = {https://doi.org/10.1016\%2Fj.actamat.2019.04.016},
 doi = {10.1016/j.actamat.2019.04.016}
}

@article{Dupraz_2019,
 author = {Dupraz, Maxime and Rao, Satish I. and Swygenhoven, Helena Van},
 title = {Large scale 3-dimensional atomistic simulations of screw dislocations interacting with coherent twin boundaries in Al, Cu and Ni under uniaxial and multiaxial loading conditions},
 journal = {Acta Materialia},
 publisher = {Elsevier BV},
 year = {2019},
 month = {aug},
 volume = {174},
 pages = {16--28},
 url = {https://doi.org/10.1016\%2Fj.actamat.2019.05.025},
 doi = {10.1016/j.actamat.2019.05.025}
}

@article{Embury_1994,
 author = {Embury, J. D. and Hirth, J. P.},
 title = {On dislocation storage and the mechanical response of fine scale microstructures},
 journal = {Acta Metallurgica et Materialia},
 publisher = {Elsevier BV},
 year = {1994},
 month = {jun},
 number = {6},
 volume = {42},
 pages = {2051--2056},
 url = {https://doi.org/10.1016\%2F0956-7151\%2894\%2990030-2},
 doi = {10.1016/0956-7151(94)90030-2}
}

@article{Erel_2017,
 author = {Erel, Can and Po, Giacomo and Crosby, Tamer and Ghoniem, Nasr},
 title = {Generation and interaction mechanisms of prismatic dislocation loops in FCC metals},
 journal = {Computational Materials Science},
 publisher = {Elsevier BV},
 year = {2017},
 month = {dec},
 volume = {140},
 pages = {32--46},
 url = {https://doi.org/10.1016\%2Fj.commatsci.2017.07.043},
 doi = {10.1016/j.commatsci.2017.07.043}
}

@article{Erel_2017a,
 author = {Erel, C. and Po, G. and Ghoniem, N.},
 title = {Dependence of hardening and saturation stress in persistent slip bands on strain amplitude during cyclic fatigue loading},
 journal = {Philosophical Magazine},
 publisher = {Informa UK Limited},
 year = {2017},
 month = {aug},
 number = {32},
 volume = {97},
 pages = {2947--2970},
 url = {https://doi.org/10.1080\%2F14786435.2017.1361555},
 doi = {10.1080/14786435.2017.1361555}
}

@article{Evans_1985,
 author = {Evans, D. J. and Holian, B. L.},
 title = {The Nose–Hoover thermostat},
 journal = {The Journal of Chemical Physics},
 publisher = {AIP Publishing},
 year = {1985},
 month = {oct},
 number = {8},
 volume = {83},
 pages = {4069--4074},
 url = {https://doi.org/10.1063\%2F1.449071},
 doi = {10.1063/1.449071}
}

@article{Faken_1994,
 author = {Faken, Daniel and Jónsson, Hannes},
 title = {Systematic analysis of local atomic structure combined with 3D computer graphics},
 journal = {Computational Materials Science},
 publisher = {Elsevier BV},
 year = {1994},
 month = {mar},
 number = {2},
 volume = {2},
 pages = {279--286},
 url = {https://doi.org/10.1016\%2F0927-0256\%2894\%2990109-0},
 doi = {10.1016/0927-0256(94)90109-0}
}

@article{Foecke_2003,
 author = {Foecke, T. and Kramer, D. E.},
 title = {In situ TEM observations of fracture in nanolaminated metallic thin films},
 journal = {International Journal of Fracture},
 publisher = {Springer Science and Business Media LLC},
 year = {2003},
 number = {4-2},
 volume = {119/120},
 pages = {351--357},
 url = {https://doi.org/10.1023\%2Fa\%3A1024967510917},
 doi = {10.1023/a:1024967510917}
}

@article{Franca_1989,
 author = {Franca, L. P.},
 title = {An algorithm to compute the square root of a 3 × 3 positive definite matrix},
 journal = {Computers \& Mathematics with Applications},
 publisher = {Elsevier BV},
 year = {1989},
 number = {5},
 volume = {18},
 pages = {459--466},
 url = {https://doi.org/10.1016\%2F0898-1221\%2889\%2990240-x},
 doi = {10.1016/0898-1221(89)90240-x}
}

@article{Freund_1990,
 author = {Freund, L. B.},
 title = {A criterion for arrest of a threading dislocation in a strained epitaxial layer due to an interface misfit dislocation in its path},
 journal = {Journal of Applied Physics},
 publisher = {AIP Publishing},
 year = {1990},
 month = {sep},
 number = {5},
 volume = {68},
 pages = {2073--2080},
 url = {https://doi.org/10.1063\%2F1.346560},
 doi = {10.1063/1.346560}
}

@article{Gafton_2011,
 author = {Gafton, Emanuel and Rosswog, Stephan},
 title = {A fast recursive coordinate bisection tree for neighbour search and gravity},
 journal = {Monthly Notices of the Royal Astronomical Society},
 publisher = {Oxford University Press (OUP)},
 year = {2011},
 month = {sep},
 number = {2},
 volume = {418},
 pages = {770--781},
 url = {https://doi.org/10.1111\%2Fj.1365-2966.2011.19528.x},
 doi = {10.1111/j.1365-2966.2011.19528.x}
}

@article{Gallagher_1970,
 author = {Gallagher, P. C. J.},
 title = {The influence of alloying, temperature, and related effects on the stacking fault energy},
 journal = {Metallurgical and Materials Transactions B},
 publisher = {Springer Science and Business Media LLC},
 year = {1970},
 month = {sep},
 number = {9},
 volume = {1},
 pages = {2429--2461},
 url = {https://doi.org/10.1007\%2Fbf03038370},
 doi = {10.1007/bf03038370}
}

@article{Gao_2018,
 author = {Gao, Bo and Xiang, Qian and Guo, Tianfu and Guo, Xu and Tang, Shan and Huang, Xiao Xu},
 title = {In situ TEM investigation on void coalescence in metallic materials},
 journal = {Materials Science and Engineering: A},
 publisher = {Elsevier BV},
 year = {2018},
 month = {sep},
 volume = {734},
 pages = {260--268},
 url = {https://doi.org/10.1016\%2Fj.msea.2018.07.064},
 doi = {10.1016/j.msea.2018.07.064}
}

@article{Gao_2020,
 author = {Gao, Rui and Jin, Miaomiao and Han, Fei and Wang, Baoming and Wang, Xianping and Fang, Qianfeng and Dong, Yanhao and Sun, Cheng and Shao, Lin and Li, Mingda and Li, Ju},
 title = {Superconducting Cu/Nb nanolaminate by coded accumulative roll bonding and its helium damage characteristics},
 journal = {Acta Materialia},
 publisher = {Elsevier BV},
 year = {2020},
 month = {sep},
 volume = {197},
 pages = {212--223},
 url = {https://doi.org/10.1016\%2Fj.actamat.2020.07.031},
 doi = {10.1016/j.actamat.2020.07.031}
}

@article{Gola_2018,
 author = {Gola, Adrien and Gumbsch, Peter and Pastewka, Lars},
 title = {Atomic-scale simulation of structure and mechanical properties of Cu1-xAgx$|$Ni multilayer systems},
 journal = {Acta Materialia},
 publisher = {Elsevier BV},
 year = {2018},
 month = {may},
 volume = {150},
 pages = {236--247},
 url = {https://doi.org/10.1016\%2Fj.actamat.2018.02.046},
 doi = {10.1016/j.actamat.2018.02.046}
}

@article{Greenman_1967,
 author = {Greenman, W. Frank and Vreeland, Thad and Wood, David S.},
 title = {Dislocation Mobility in Copper},
 journal = {Journal of Applied Physics},
 publisher = {AIP Publishing},
 year = {1967},
 month = {aug},
 number = {9},
 volume = {38},
 pages = {3595--3603},
 url = {https://doi.org/10.1063\%2F1.1710178},
 doi = {10.1063/1.1710178}
}

@article{Groh_2009,
 author = {Groh, S. and Marin, E. B. and Horstemeyer, M. F. and Zbib, H. M.},
 title = {Multiscale modeling of the plasticity in an aluminum single crystal},
 journal = {International Journal of Plasticity},
 publisher = {Elsevier BV},
 year = {2009},
 month = {aug},
 number = {8},
 volume = {25},
 pages = {1456--1473},
 url = {https://doi.org/10.1016\%2Fj.ijplas.2008.11.003},
 doi = {10.1016/j.ijplas.2008.11.003}
}

@article{Gu_nol__2020,
 author = {Guénolé, Julien and Nöhring, Wolfram G. and Vaid, Aviral and Houllé, Frédéric and Xie, Zhuocheng and Prakash, Aruna and Bitzek, Erik},
 title = {Assessment and optimization of the fast inertial relaxation engine (fire) for energy minimization in atomistic simulations and its implementation in lammps},
 journal = {Computational Materials Science},
 publisher = {Elsevier BV},
 year = {2020},
 month = {apr},
 volume = {175},
 pages = {109584},
 url = {https://doi.org/10.1016\%2Fj.commatsci.2020.109584},
 doi = {10.1016/j.commatsci.2020.109584}
}

@techreport{Gunzburger_2013,
 author = {Gunzburger, Max},
 title = {A Mathematical Analysis of Atomistic-to-Continuum (AtC) Multiscale Coupling Methods},
 publisher = {Office of Scientific and Technical Information (OSTI)},
 year = {2013},
 month = {nov},
 url = {https://doi.org/10.2172\%2F1104985},
 doi = {10.2172/1104985}
}

@article{Gurrappa_2008,
 author = {Gurrappa, Injeti and Binder, Leo},
 title = {Electrodeposition of nanostructured coatings and their characterization—A review},
 journal = {Science and Technology of Advanced Materials},
 publisher = {Informa UK Limited},
 year = {2008},
 month = {dec},
 number = {4},
 volume = {9},
 pages = {043001},
 url = {https://doi.org/10.1088\%2F1468-6996\%2F9\%2F4\%2F043001},
 doi = {10.1088/1468-6996/9/4/043001}
}

@article{Hafez_Haghighat_2009,
 author = {Haghighat, S. M. Hafez and Fivel, M. C. and Fikar, J. and Schaeublin, R.},
 title = {Dislocation–void interaction in Fe: A comparison between molecular dynamics and dislocation dynamics},
 journal = {Journal of Nuclear Materials},
 publisher = {Elsevier BV},
 year = {2009},
 month = {apr},
 volume = {386-388},
 pages = {102--105},
 url = {https://doi.org/10.1016\%2Fj.jnucmat.2008.12.069},
 doi = {10.1016/j.jnucmat.2008.12.069}
}

@article{Hafez_Haghighat_2010,
 author = {Haghighat, S. M. Hafez and Schäublin, R.},
 title = {Influence of the stress field due to pressurized nanometric He bubbles on the mobility of an edge dislocation in iron},
 journal = {Philosophical Magazine},
 publisher = {Informa UK Limited},
 year = {2010},
 month = {mar},
 number = {7-8},
 volume = {90},
 pages = {1075--1100},
 url = {https://doi.org/10.1080\%2F14786431003630801},
 doi = {10.1080/14786431003630801}
}

@article{Haghighat_2009,
 author = {Haghighat, S M Hafez and Lucas, G and Schäublin, R},
 title = {Atomistic simulation of He bubble in Fe as obstacle to dislocation},
 journal = {IOP Conference Series: Materials Science and Engineering},
 publisher = {IOP Publishing},
 year = {2009},
 month = {jul},
 volume = {3},
 pages = {012013},
 url = {https://doi.org/10.1088\%2F1757-899x\%2F3\%2F1\%2F012013},
 doi = {10.1088/1757-899x/3/1/012013}
}

@article{Hatano_2006,
 author = {Hatano, Takahiro},
 title = {Dynamics of a dislocation bypassing an impenetrable precipitate: The Hirsch mechanism revisited},
 journal = {Physical Review B},
 publisher = {American Physical Society (APS)},
 year = {2006},
 month = {jul},
 number = {2},
 volume = {74},
 url = {https://doi.org/10.1103\%2Fphysrevb.74.020102},
 doi = {10.1103/physrevb.74.020102}
}

@article{Henkelman_2000,
 author = {Henkelman, Graeme and Uberuaga, Blas P. and Jónsson, Hannes},
 title = {A climbing image nudged elastic band method for finding saddle points and minimum energy paths},
 journal = {The Journal of Chemical Physics},
 publisher = {AIP Publishing},
 year = {2000},
 month = {dec},
 number = {22},
 volume = {113},
 pages = {9901--9904},
 url = {https://doi.org/10.1063\%2F1.1329672},
 doi = {10.1063/1.1329672}
}

@article{Himanen_2020,
 author = {Himanen, Lauri and Jäger, Marc O. J. and Morooka, Eiaki V. and Canova, Filippo Federici and Ranawat, Yashasvi S. and Gao, David Z. and Rinke, Patrick and Foster, Adam S.},
 title = {DScribe: Library of descriptors for machine learning in materials science},
 journal = {Computer Physics Communications},
 publisher = {Elsevier BV},
 year = {2020},
 month = {feb},
 volume = {247},
 pages = {106949},
 url = {https://doi.org/10.1016\%2Fj.cpc.2019.106949},
 doi = {10.1016/j.cpc.2019.106949}
}

@article{Hiratani_2003,
 author = {Hiratani, M. and Zbib, H. M. and Khaleel, M. A.},
 title = {Modeling of thermally activated dislocation glide and plastic flow through local obstacles},
 journal = {International Journal of Plasticity},
 publisher = {Elsevier BV},
 year = {2003},
 month = {sep},
 number = {9},
 volume = {19},
 pages = {1271--1296},
 url = {https://doi.org/10.1016\%2Fs0749-6419\%2802\%2900016-5},
 doi = {10.1016/s0749-6419(02)00016-5}
}

@article{Hirel_2015,
 author = {Hirel, Pierre},
 title = {Atomsk: A tool for manipulating and converting atomic data files},
 journal = {Computer Physics Communications},
 publisher = {Elsevier BV},
 year = {2015},
 month = {dec},
 volume = {197},
 pages = {212--219},
 url = {https://doi.org/10.1016\%2Fj.cpc.2015.07.012},
 doi = {10.1016/j.cpc.2015.07.012}
}

@article{Hirth1983TheoryOD,
 author = {Hirth, John Price and Lothe, Johan J. and Mura, Toshio},
 title = {Theory of Dislocations (2nd ed.)},
 journal = {Journal of Applied Mechanics},
 year = {1983},
 volume = {50},
 pages = {476--477}
}

@article{Hoagland_2004,
 author = {Hoagland, R. G. and Kurtz, R. J. and Henager, C. H.},
 title = {Slip resistance of interfaces and the strength of metallic multilayer composites},
 journal = {Scripta Materialia},
 publisher = {Elsevier BV},
 year = {2004},
 month = {mar},
 number = {6},
 volume = {50},
 pages = {775--779},
 url = {https://doi.org/10.1016\%2Fj.scriptamat.2003.11.059},
 doi = {10.1016/j.scriptamat.2003.11.059}
}

@article{Hollanders_1990,
 author = {Hollanders, Mark A. and Thijsse, Barend J. and Mittemeijer, Eric J.},
 title = {Amorphization along interfaces and grain boundaries in polycrystalline multilayers: An x-ray-diffraction study of Ni/Ti multilayers},
 journal = {Physical Review B},
 publisher = {American Physical Society (APS)},
 year = {1990},
 month = {sep},
 number = {9},
 volume = {42},
 pages = {5481--5494},
 url = {https://doi.org/10.1103\%2Fphysrevb.42.5481},
 doi = {10.1103/physrevb.42.5481}
}

@article{Hosseini_2017,
 author = {Hosseini, M. and Pardis, N. and Manesh, H. Danesh and Abbasi, Majid and Kim, Dong-Ik},
 title = {Structural characteristics of Cu/Ti bimetal composite produced by accumulative roll-bonding (ARB)},
 journal = {Materials \&amp$\mathsemicolon$ Design},
 publisher = {Elsevier BV},
 year = {2017},
 month = {jan},
 volume = {113},
 pages = {128--136},
 url = {https://doi.org/10.1016\%2Fj.matdes.2016.09.094},
 doi = {10.1016/j.matdes.2016.09.094}
}

@article{Huang_2017,
 author = {Huang, Shan and Chen, Dengke and Song, Jun and McDowell, David L. and Zhu, Ting},
 title = {Hydrogen embrittlement of grain boundaries in nickel: an atomistic study},
 journal = {npj Computational Materials},
 publisher = {Springer Science and Business Media LLC},
 year = {2017},
 month = {jul},
 number = {1},
 volume = {3},
 url = {https://doi.org/10.1038\%2Fs41524-017-0031-1},
 doi = {10.1038/s41524-017-0031-1}
}

@article{Huang_2019,
 author = {Huang, Sixie and Zhou, Caizhi},
 title = {Fracture resistance of Cu/Nb metallic nanolayered composite},
 journal = {Journal of Materials Research},
 publisher = {Springer Science and Business Media LLC},
 year = {2019},
 month = {may},
 number = {9},
 volume = {34},
 pages = {1533--1541},
 url = {https://doi.org/10.1557\%2Fjmr.2019.115},
 doi = {10.1557/jmr.2019.115}
}

@article{Hunter_2014,
 author = {Hunter, A. and Beyerlein, I. J.},
 title = {Stacking fault emission from grain boundaries: Material dependencies and grain size effects},
 journal = {Materials Science and Engineering: A},
 publisher = {Elsevier BV},
 year = {2014},
 month = {apr},
 volume = {600},
 pages = {200--210},
 url = {https://doi.org/10.1016\%2Fj.msea.2014.02.030},
 doi = {10.1016/j.msea.2014.02.030}
}

@article{Hunter_2017,
 author = {Hunter, Abigail and Leu, Brandon and Beyerlein, Irene J.},
 title = {A review of slip transfer: applications of mesoscale techniques},
 journal = {Journal of Materials Science},
 publisher = {Springer Science and Business Media LLC},
 year = {2017},
 month = {dec},
 number = {8},
 volume = {53},
 pages = {5584--5603},
 url = {https://doi.org/10.1007\%2Fs10853-017-1844-5},
 doi = {10.1007/s10853-017-1844-5}
}

@article{Jankowski_1995,
 author = {Jankowski, Alan F.},
 title = {Metallic multilayers at the nanoscale},
 journal = {Nanostructured Materials},
 publisher = {Elsevier BV},
 year = {1995},
 month = {jan},
 number = {1-4},
 volume = {6},
 pages = {179--190},
 url = {https://doi.org/10.1016\%2F0965-9773\%2895\%2900041-0},
 doi = {10.1016/0965-9773(95)00041-0}
}

@article{Jankowski_2007,
 author = {Jankowski, Alan F.},
 title = {Diffusion Mechanisms in Nanocrystalline and Nanolaminated Au-Cu},
 journal = {Defect and Diffusion Forum},
 publisher = {Trans Tech Publications, Ltd.},
 year = {2007},
 month = {sep},
 volume = {266},
 pages = {13--28},
 url = {https://doi.org/10.4028\%2Fwww.scientific.net\%2Fddf.266.13},
 doi = {10.4028/www.scientific.net/ddf.266.13}
}

@article{Jian_2020,
 author = {Jian, Wu-Rong and Zhang, Min and Xu, Shuozhi and Beyerlein, Irene J.},
 title = {Atomistic simulations of dynamics of an edge dislocation and its interaction with a void in copper: a comparative study},
 journal = {Modelling and Simulation in Materials Science and Engineering},
 publisher = {IOP Publishing},
 year = {2020},
 month = {apr},
 number = {4},
 volume = {28},
 pages = {045004},
 url = {https://doi.org/10.1088\%2F1361-651x\%2Fab8358},
 doi = {10.1088/1361-651x/ab8358}
}

@article{Jian_2021,
 author = {Jian, Wu-Rong and Xu, Shuozhi and Beyerlein, Irene J.},
 title = {On the significance of model design in atomistic calculations of the Peierls stress in Nb},
 journal = {Computational Materials Science},
 publisher = {Elsevier BV},
 year = {2021},
 month = {feb},
 volume = {188},
 pages = {110150},
 url = {https://doi.org/10.1016\%2Fj.commatsci.2020.110150},
 doi = {10.1016/j.commatsci.2020.110150}
}

@article{Jian_2022,
 author = {Jian, Wu-Rong and Xu, Shuozhi and Su, Yanqing and Beyerlein, Irene J.},
 title = {Role of layer thickness and dislocation distribution in confined layer slip in nanolaminated Nb},
 journal = {International Journal of Plasticity},
 publisher = {Elsevier BV},
 year = {2022},
 month = {may},
 volume = {152},
 pages = {103239},
 url = {https://doi.org/10.1016\%2Fj.ijplas.2022.103239},
 doi = {10.1016/j.ijplas.2022.103239}
}

@article{Johnson_1996,
 author = {Johnson, M T and Bloemen, P J H and Broeder, F J A den and de Vries, J J},
 title = {Magnetic anisotropy in metallic multilayers},
 journal = {Reports on Progress in Physics},
 publisher = {IOP Publishing},
 year = {1996},
 month = {nov},
 number = {11},
 volume = {59},
 pages = {1409--1458},
 url = {https://doi.org/10.1088\%2F0034-4885\%2F59\%2F11\%2F002},
 doi = {10.1088/0034-4885/59/11/002}
}

@article{Judge_2015,
 author = {Judge, Colin D. and Gauquelin, Nicolas and Walters, Lori and Wright, Mike and Cole, James I. and Madden, James and Botton, Gianluigi A. and Griffiths, Malcolm},
 title = {Intergranular fracture in irradiated Inconel X-750 containing very high concentrations of helium and hydrogen},
 journal = {Journal of Nuclear Materials},
 publisher = {Elsevier BV},
 year = {2015},
 month = {feb},
 volume = {457},
 pages = {165--172},
 url = {https://doi.org/10.1016\%2Fj.jnucmat.2014.10.008},
 doi = {10.1016/j.jnucmat.2014.10.008}
}

@article{Kacher_2019,
 author = {Kacher, Josh and Zhu, Ting and Pierron, Olivier and Spearot, Douglas E.},
 title = {Integrating in situ TEM experiments and atomistic simulations for defect mechanics},
 journal = {Current Opinion in Solid State and Materials Science},
 publisher = {Elsevier BV},
 year = {2019},
 month = {jun},
 number = {3},
 volume = {23},
 pages = {117--128},
 url = {https://doi.org/10.1016\%2Fj.cossms.2019.03.003},
 doi = {10.1016/j.cossms.2019.03.003}
}

@article{Kenik_2012,
 author = {Kenik, Edward A. and Busby, Jeremy T.},
 title = {Radiation-induced degradation of stainless steel light water reactor internals},
 journal = {Materials Science and Engineering: R: Reports},
 publisher = {Elsevier BV},
 year = {2012},
 month = {jul},
 number = {7-8},
 volume = {73},
 pages = {67--83},
 url = {https://doi.org/10.1016\%2Fj.mser.2012.05.002},
 doi = {10.1016/j.mser.2012.05.002}
}

@article{Kim_2014,
 author = {Kim, W. K. and Luskin, M. and Perez, D. and Voter, A. F. and Tadmor, E. B.},
 title = {Hyper-QC: An accelerated finite-temperature quasicontinuum method using hyperdynamics},
 journal = {Journal of the Mechanics and Physics of Solids},
 publisher = {Elsevier BV},
 year = {2014},
 month = {feb},
 volume = {63},
 pages = {94--112},
 url = {https://doi.org/10.1016\%2Fj.jmps.2013.10.001},
 doi = {10.1016/j.jmps.2013.10.001}
}

@article{Kobayashi_2015,
 author = {Kobayashi, Ryo and Hattori, Tatsunori and Tamura, Tomoyuki and Ogata, Shuji},
 title = {A molecular dynamics study on bubble growth in tungsten under helium irradiation},
 journal = {Journal of Nuclear Materials},
 publisher = {Elsevier BV},
 year = {2015},
 month = {aug},
 volume = {463},
 pages = {1071--1074},
 url = {https://doi.org/10.1016\%2Fj.jnucmat.2014.12.049},
 doi = {10.1016/j.jnucmat.2014.12.049}
}

@article{Koyama_2020,
 author = {Koyama, Motomichi and Taheri-Mousavi, Seyedeh Mohadeseh and Yan, Haoxue and Kim, Jinwoo and Cameron, Benjamin Clive and Moeini-Ardakani, Seyed Sina and Li, Ju and Tasan, Cemal Cem},
 title = {Origin of micrometer-scale dislocation motion during hydrogen desorption},
 journal = {Science Advances},
 publisher = {American Association for the Advancement of Science (AAAS)},
 year = {2020},
 month = {jun},
 number = {23},
 volume = {6},
 pages = {eaaz1187},
 url = {https://doi.org/10.1126\%2Fsciadv.aaz1187},
 doi = {10.1126/sciadv.aaz1187}
}

@article{Kramer_2002,
 author = {Kramer, D. E. and Foecke, T.},
 title = {Transmission electron microscopy observations of deformation and fracture in nanolaminated Cu-Ni thin films},
 journal = {Philosophical Magazine A},
 publisher = {Informa UK Limited},
 year = {2002},
 month = {nov},
 number = {17-18},
 volume = {82},
 pages = {3375--3381},
 url = {https://doi.org/10.1080\%2F01418610208240448},
 doi = {10.1080/01418610208240448}
}

@article{Kuhr_2016,
 author = {Kuhr, Bryan and Farkas, Diana and Robertson, Ian M.},
 title = {Atomistic studies of hydrogen effects on grain boundary structure and deformation response in FCC Ni},
 journal = {Computational Materials Science},
 publisher = {Elsevier BV},
 year = {2016},
 month = {sep},
 volume = {122},
 pages = {92--101},
 url = {https://doi.org/10.1016\%2Fj.commatsci.2016.05.014},
 doi = {10.1016/j.commatsci.2016.05.014}
}

@article{Lashmore_1988,
 author = {Lashmore, D. S. and Dariel, M. P.},
 title = {Electrodeposited Cu-Ni Textured Superlattices},
 journal = {Journal of The Electrochemical Society},
 publisher = {The Electrochemical Society},
 year = {1988},
 month = {may},
 number = {5},
 volume = {135},
 pages = {1218--1221},
 url = {https://doi.org/10.1149\%2F1.2095930},
 doi = {10.1149/1.2095930}
}

@article{Lehtinen_2016,
 author = {Lehtinen, Arttu and Granberg, Fredric and Laurson, Lasse and Nordlund, Kai and Alava, Mikko J.},
 title = {Multiscale modeling of dislocation-precipitate interactions in Fe: From molecular dynamics to discrete dislocations},
 journal = {Physical Review E},
 publisher = {American Physical Society (APS)},
 year = {2016},
 month = {jan},
 number = {1},
 volume = {93},
 url = {https://doi.org/10.1103\%2Fphysreve.93.013309},
 doi = {10.1103/physreve.93.013309}
}

@article{Li_2010,
 author = {Li, Nan and Wang, J. and Huang, J. Y. and Misra, A. and Zhang, X.},
 title = {In situ TEM observations of room temperature dislocation climb at interfaces in nanolayered Al/Nb composites},
 journal = {Scripta Materialia},
 publisher = {Elsevier BV},
 year = {2010},
 month = {aug},
 number = {4},
 volume = {63},
 pages = {363--366},
 url = {https://doi.org/10.1016\%2Fj.scriptamat.2010.04.005},
 doi = {10.1016/j.scriptamat.2010.04.005}
}

@article{Li_2019,
 author = {Li, Yang and Fan, Zhaochuan and Li, Weixuan and McDowell, David L. and Chen, Youping},
 title = {A multiscale study of misfit dislocations in PbTe/PbSe(001) heteroepitaxy},
 journal = {Journal of Materials Research},
 publisher = {Cambridge University Press (CUP)},
 year = {2019},
 month = {apr},
 number = {13},
 volume = {34},
 pages = {2306--2314},
 url = {https://doi.org/10.1557\%2Fjmr.2019.69},
 doi = {10.1557/jmr.2019.69}
}

@article{Li_2019a,
 author = {Li, Yang and Li, Weixuan and Chen, Xiang and Diaz, Adrian and McDowell, David L. and Chen, Youping},
 title = {Phonon spectrum and phonon focusing in coarse-grained atomistic simulations},
 journal = {Computational Materials Science},
 publisher = {Elsevier BV},
 year = {2019},
 month = {may},
 volume = {162},
 pages = {21--32},
 url = {https://doi.org/10.1016\%2Fj.commatsci.2019.02.020},
 doi = {10.1016/j.commatsci.2019.02.020}
}

@article{Li_2022,
 author = {Li, Huabing and Zheng, Zhilin and He, Jing and Nagao, Akihide and Sun, Qingqing and Wang, Shuai},
 title = {Dislocation evolution in copper in the absence and presence of hydrogen},
 journal = {Materials Science and Engineering: A},
 publisher = {Elsevier BV},
 year = {2022},
 month = {may},
 volume = {842},
 pages = {143082},
 url = {https://doi.org/10.1016\%2Fj.msea.2022.143082},
 doi = {10.1016/j.msea.2022.143082}
}

@article{Liu_2017,
 author = {Liu, Xuying and Hao, Rui and Mao, Shimin and Dillon, Shen J.},
 title = {Shear strengths of FCC-FCC cube-on-cube interfaces},
 journal = {Scripta Materialia},
 publisher = {Elsevier BV},
 year = {2017},
 month = {mar},
 volume = {130},
 pages = {178--181},
 url = {https://doi.org/10.1016\%2Fj.scriptamat.2016.11.038},
 doi = {10.1016/j.scriptamat.2016.11.038}
}

@article{Liu_2018,
 author = {Liu, Z. and Monclús, M. A. and Yang, L. W. and Castillo-Rodríguez, M. and Molina-Aldareguía, J. M. and LLorca, J.},
 title = {Tensile deformation and fracture mechanisms of Cu/Nb nanolaminates studied by in situ TEM mechanical tests},
 journal = {Extreme Mechanics Letters},
 publisher = {Elsevier BV},
 year = {2018},
 month = {nov},
 volume = {25},
 pages = {60--65},
 url = {https://doi.org/10.1016\%2Fj.eml.2018.10.007},
 doi = {10.1016/j.eml.2018.10.007}
}

@article{Lucas_1993,
 author = {Lucas, G. E.},
 title = {The evolution of mechanical property change in irradiated austenitic stainless steels},
 journal = {Journal of Nuclear Materials},
 publisher = {Elsevier BV},
 year = {1993},
 month = {nov},
 number = {2-3},
 volume = {206},
 pages = {287--305},
 url = {https://doi.org/10.1016\%2F0022-3115\%2893\%2990129-m},
 doi = {10.1016/0022-3115(93)90129-m}
}

@article{Lv_2018,
 author = {Lv, Chao and Yang, Jie and Zhang, Xuping and Cai, Yang and Liu, Xiaoyi and Wang, Guiji and Luo, Sheng-Nian},
 title = {Interfacial effect on deformation and failure of Al/Cu nanolaminates under shear loading},
 journal = {Journal of Physics D: Applied Physics},
 publisher = {IOP Publishing},
 year = {2018},
 month = {jul},
 number = {33},
 volume = {51},
 pages = {335301},
 url = {https://doi.org/10.1088\%2F1361-6463\%2Faad2a8},
 doi = {10.1088/1361-6463/aad2a8}
}

@incollection{MISRA2006146,
 author = {Misra, A.},
 title = {7 - Mechanical behavior of metallic nanolaminates},
 publisher = {Woodhead Publishing},
 year = {2006},
 pages = {146--176},
 url = {http://www.sciencedirect.com/science/article/pii/B9781855739338500075},
 doi = {https://doi.org/10.1533/9781845691189.146},
 abstract = {Publisher Summary
Nanolaminate materials, also referred to as “superlattices” or “multilayers”, represent a class of composite materials that are made up of alternating nanometer-scale layers of two different materials, where the individual layer thickness may vary from a few atomic layers to a few tens of nanometers. Nanolaminates have been the subject of significant recent research worldwide due to the novel mechanical and physical properties that emerge as the individual layer thickness is reduced to nanometer-scale. Nanolaminates may be metal–metal, metal–intermetallic, metal–ceramic, ceramic–ceramic, or crystalline amorphous. This chapter focuses on the mechanical behavior of metallic nanolaminates. Besides the technological applications, metal–metal systems are studied extensively as model systems for fundamental research on the effects of nanometer length scales and the interface structures on the mechanical properties of nanolaminates. The chapter presents a brief description of the commonly used methods of synthesis, a brief overview of the strengthening mechanisms relevant to nanolaminates. It also presents experimental data on the strength as a function of bilayer period of the nanolaminates and the interpretation of these data in terms of the dislocation pile-up based Hall–Petch model. Single dislocation-based deformation models are developed to account for the increasing strength with decreasing layer thickness at length scales where the continuum Hall–Petch model is not applicable. The chapter describes atomistic modeling that predicts the limiting strength value for these nanolaminates and discusses the deformation behavior of nanolaminates subjected to large plastic strains to highlight the dislocation storage, work hardening, and texture evolution in these materials.},
 booktitle = {Nanostructure Control of Materials},
 editor = {Hannink, R. H. J. and Hill, A. J.},
 isbn = {978-1-85573-933-8}
}

@article{Ma_2006,
 author = {Ma, A. and Roters, F. and Raabe, D.},
 title = {Studying the effect of grain boundaries in dislocation density based crystal-plasticity finite element simulations},
 journal = {International Journal of Solids and Structures},
 publisher = {Elsevier BV},
 year = {2006},
 month = {nov},
 number = {24},
 volume = {43},
 pages = {7287--7303},
 url = {https://doi.org/10.1016\%2Fj.ijsolstr.2006.07.006},
 doi = {10.1016/j.ijsolstr.2006.07.006}
}
@article{Ma_2014,
 author = {Ma, Lian-Hua and Yang, Qing-Sheng and Yan, Xiao-Hui and Qin, Qing-Hua},
 title = {Elastoplastic mechanics of porous materials with varied inner pressures},
 journal = {Mechanics of Materials},
 publisher = {Elsevier BV},
 year = {2014},
 month = {jun},
 volume = {73},
 pages = {58--75},
 url = {https://doi.org/10.1016\%2Fj.mechmat.2014.02.005},
 doi = {10.1016/j.mechmat.2014.02.005}
}

@article{Malka_Markovitz_2021,
 author = {Malka-Markovitz, Alon and Devincre, Benoit and Mordehai, Dan},
 title = {A molecular dynamics-informed probabilistic cross-slip model in discrete dislocation dynamics},
 journal = {Scripta Materialia},
 publisher = {Elsevier BV},
 year = {2021},
 month = {jan},
 volume = {190},
 pages = {7--11},
 url = {https://doi.org/10.1016\%2Fj.scriptamat.2020.08.008},
 doi = {10.1016/j.scriptamat.2020.08.008}
}

@article{Mara_2015,
 author = {Mara, Nathan A. and Beyerlein, Irene J.},
 title = {Interface-dominant multilayers fabricated by severe plastic deformation: Stability under extreme conditions},
 journal = {Current Opinion in Solid State and Materials Science},
 publisher = {Elsevier BV},
 year = {2015},
 month = {oct},
 number = {5},
 volume = {19},
 pages = {265--276},
 url = {https://doi.org/10.1016\%2Fj.cossms.2015.04.002},
 doi = {10.1016/j.cossms.2015.04.002}
}

@article{Marian_2015,
 author = {Marian, Jaime and Hoang, Tuan and Fluss, Michael and Hsiung, Luke L.},
 title = {A review of helium–hydrogen synergistic effects in radiation damage observed in fusion energy steels and an interaction model to guide future understanding},
 journal = {Journal of Nuclear Materials},
 publisher = {Elsevier BV},
 year = {2015},
 month = {jul},
 volume = {462},
 pages = {409--421},
 url = {https://doi.org/10.1016\%2Fj.jnucmat.2014.12.046},
 doi = {10.1016/j.jnucmat.2014.12.046}
}
@article{Mart_nez_2008,
 author = {Martínez, E. and Marian, J. and Arsenlis, A. and Victoria, M. and Perlado, J. M.},
 title = {Atomistically informed dislocation dynamics in fcc crystals},
 journal = {Journal of the Mechanics and Physics of Solids},
 publisher = {Elsevier BV},
 year = {2008},
 month = {mar},
 number = {3},
 volume = {56},
 pages = {869--895},
 url = {https://doi.org/10.1016\%2Fj.jmps.2007.06.014},
 doi = {10.1016/j.jmps.2007.06.014}
}

@article{Matsushima_2007,
 author = {Matsushima, Hisayoshi and Bund, Andreas and Plieth, Waldfried and Kikuchi, Shiomi and Fukunaka, Yasuhiro},
 title = {Copper electrodeposition in a magnetic field},
 journal = {Electrochimica Acta},
 publisher = {Elsevier BV},
 year = {2007},
 month = {nov},
 number = {1},
 volume = {53},
 pages = {161--166},
 url = {https://doi.org/10.1016\%2Fj.electacta.2007.01.043},
 doi = {10.1016/j.electacta.2007.01.043}
}

@incollection{McDowell_2018,
 author = {McDowell, David L.},
 title = {Multiscale Modeling of Interfaces, Dislocations, and Dislocation Field Plasticity},
 publisher = {Springer International Publishing},
 year = {2018},
 month = {nov},
 pages = {195--297},
 url = {https://doi.org/10.1007\%2F978-3-319-94186-8_5},
 doi = {10.1007/978-3-319-94186-8_5},
 booktitle = {Mesoscale Models}
}

@article{McKeown_2002,
 author = {McKeown, J. and Misra, A. and Kung, H. and Hoagland, R. G. and Nastasi, M.},
 title = {Microstructures and strength of nanoscale Cu–Ag multilayers},
 journal = {Scripta Materialia},
 publisher = {Elsevier BV},
 year = {2002},
 month = {apr},
 number = {8},
 volume = {46},
 pages = {593--598},
 url = {https://doi.org/10.1016\%2Fs1359-6462\%2802\%2900036-2},
 doi = {10.1016/s1359-6462(02)00036-2}
}

@article{Medyanik_2009,
 author = {Medyanik, Sergey N. and Shao, Shuai},
 title = {Strengthening effects of coherent interfaces in nanoscale metallic bilayers},
 journal = {Computational Materials Science},
 publisher = {Elsevier BV},
 year = {2009},
 month = {jun},
 number = {4},
 volume = {45},
 pages = {1129--1133},
 url = {https://doi.org/10.1016\%2Fj.commatsci.2009.01.013},
 doi = {10.1016/j.commatsci.2009.01.013}
}

@inproceedings{Minakov_2018,
 author = {Minakov, A. A. and Plokhikh, A. I. and Schmiedt, A. and Walther, F.},
 title = {Comparative analysis of the fatigue characteristics of multilayer steel materials and nanolaminates},
 publisher = {Author(s)},
 year = {2018},
 url = {https://doi.org/10.1063\%2F1.5084497},
 doi = {10.1063/1.5084497},
 booktitle = {AIP Conference Proceedings}
}

@article{Mishin_2019,
 author = {Mishin, Y.},
 title = {Solute drag and dynamic phase transformations in moving grain boundaries},
 journal = {Acta Materialia},
 publisher = {Elsevier BV},
 year = {2019},
 month = {oct},
 volume = {179},
 pages = {383--395},
 url = {https://doi.org/10.1016\%2Fj.actamat.2019.08.046},
 doi = {10.1016/j.actamat.2019.08.046}
}

@article{Misra_2002,
 author = {Misra, A. and Hirth, J. P. and Kung, H.},
 title = {Single-dislocation-based strengthening mechanisms in nanoscale metallic multilayers},
 journal = {Philosophical Magazine A},
 publisher = {Informa UK Limited},
 year = {2002},
 month = {nov},
 number = {16},
 volume = {82},
 pages = {2935--2951},
 url = {https://doi.org/10.1080\%2F01418610208239626},
 doi = {10.1080/01418610208239626}
}

@article{Miura_2015,
 author = {Miura, Terumitsu and Fujii, Katsuhiko and Fukuya, Koji},
 title = {Micro-mechanical investigation for effects of helium on grain boundary fracture of austenitic stainless steel},
 journal = {Journal of Nuclear Materials},
 publisher = {Elsevier BV},
 year = {2015},
 month = {feb},
 volume = {457},
 pages = {279--290},
 url = {https://doi.org/10.1016\%2Fj.jnucmat.2014.11.062},
 doi = {10.1016/j.jnucmat.2014.11.062}
}

@article{Moering_2015,
 author = {Moering, Jordan and Ma, Xiaolong and Chen, Guizhen and Miao, Pifeng and Li, Guozhong and Qian, Gang and Mathaudhu, Suveen and Zhu, Yuntian},
 title = {The role of shear strain on texture and microstructural gradients in low carbon steel processed by Surface Mechanical Attrition Treatment},
 journal = {Scripta Materialia},
 publisher = {Elsevier BV},
 year = {2015},
 month = {nov},
 volume = {108},
 pages = {100--103},
 url = {https://doi.org/10.1016\%2Fj.scriptamat.2015.06.027},
 doi = {10.1016/j.scriptamat.2015.06.027}
}

@article{Moszner_2016,
 author = {Moszner, F. and Cancellieri, C. and Chiodi, M. and Yoon, S. and Ariosa, D. and Janczak-Rusch, J. and Jeurgens, L. P. H.},
 title = {Thermal stability of Cu/W nano-multilayers},
 journal = {Acta Materialia},
 publisher = {Elsevier BV},
 year = {2016},
 month = {apr},
 volume = {107},
 pages = {345--353},
 url = {https://doi.org/10.1016\%2Fj.actamat.2016.02.003},
 doi = {10.1016/j.actamat.2016.02.003}
}

@article{N_hring_2017,
 author = {Nöhring, Wolfram Georg and Curtin, W. A.},
 title = {Dislocation cross-slip in fcc solid solution alloys},
 journal = {Acta Materialia},
 publisher = {Elsevier BV},
 year = {2017},
 month = {apr},
 volume = {128},
 pages = {135--148},
 url = {https://doi.org/10.1016\%2Fj.actamat.2017.02.027},
 doi = {10.1016/j.actamat.2017.02.027}
}

@article{N_hring_2018,
 author = {Nöhring, Wolfram Georg and Curtin, W. A.},
 title = {Cross-slip of long dislocations in FCC solid solutions},
 journal = {Acta Materialia},
 publisher = {Elsevier BV},
 year = {2018},
 month = {oct},
 volume = {158},
 pages = {95--117},
 url = {https://doi.org/10.1016\%2Fj.actamat.2018.05.027},
 doi = {10.1016/j.actamat.2018.05.027}
}

@article{Nasim_2019,
 author = {Nasim, Mohammad and Li, Yuncang and Wen, Cuie},
 title = {Individual layer thickness-dependent microstructures and mechanical properties of fcc/fcc Ni/Al nanolaminates and their strengthening mechanisms},
 journal = {Materialia},
 publisher = {Elsevier BV},
 year = {2019},
 month = {jun},
 volume = {6},
 pages = {100347},
 url = {https://doi.org/10.1016\%2Fj.mtla.2019.100347},
 doi = {10.1016/j.mtla.2019.100347}
}

@article{Nasim_2020,
 author = {Nasim, Mohammad and Li, Yuncang and Wen, Cuie},
 title = {Length-scale dependent deformation, strengthening, and ductility of fcc/fcc Ni/Al nanolaminates using micropillar compression testing},
 journal = {Acta Materialia},
 publisher = {Elsevier BV},
 year = {2020},
 month = {jul},
 volume = {193},
 pages = {318--328},
 url = {https://doi.org/10.1016\%2Fj.actamat.2020.04.043},
 doi = {10.1016/j.actamat.2020.04.043}
}

@article{Nasim_2020a,
 author = {Nasim, Mohammad and Li, Yuncang and Wen, Ming and Wen, Cuie},
 title = {A review of high-strength nanolaminates and evaluation of their properties},
 journal = {Journal of Materials Science \& Technology},
 publisher = {Elsevier BV},
 year = {2020},
 month = {aug},
 volume = {50},
 pages = {215--244},
 url = {https://doi.org/10.1016\%2Fj.jmst.2020.03.011},
 doi = {10.1016/j.jmst.2020.03.011}
}

@article{Nasim_2021,
 author = {Nasim, Mohammad and Li, Yuncang and Dargusch, Matthew and Wen, Cuie},
 title = {Ultra-strong and ductile Ta/Co nanolaminates strengthened via grain-boundary expanding and interfacial sliding},
 journal = {Applied Materials Today},
 publisher = {Elsevier {BV}},
 year = {2021},
 month = {jun},
 volume = {23},
 pages = {100983},
 url = {https://doi.org/10.1016\%2Fj.apmt.2021.100983},
 doi = {10.1016/j.apmt.2021.100983}
}

@article{Ney_1977,
 author = {Ney, H. and Labusch, R. and Haasen, P.},
 title = {Measurement of dislocation velocities in Cu-Al single crystals—II},
 journal = {Acta Metallurgica},
 publisher = {Elsevier BV},
 year = {1977},
 month = {nov},
 number = {11},
 volume = {25},
 pages = {1257--1269},
 url = {https://doi.org/10.1016\%2F0001-6160\%2877\%2990102-x},
 doi = {10.1016/0001-6160(77)90102-x}
}

@article{Nos__1991,
 author = {Nosé, Shuichi},
 title = {Constant Temperature Molecular Dynamics Methods},
 journal = {Progress of Theoretical Physics Supplement},
 publisher = {Oxford University Press (OUP)},
 year = {1991},
 volume = {103},
 pages = {1--46},
 url = {https://doi.org/10.1143\%2Fptps.103.1},
 doi = {10.1143/ptps.103.1}
}

@article{O_Boyle_2011,
 author = {O'Boyle, Noel M and Banck, Michael and James, Craig A and Morley, Chris and Vandermeersch, Tim and Hutchison, Geoffrey R},
 title = {Open Babel: An open chemical toolbox},
 journal = {Journal of Cheminformatics},
 publisher = {Springer Science and Business Media LLC},
 year = {2011},
 month = {oct},
 number = {1},
 volume = {3},
 url = {https://doi.org/10.1186\%2F1758-2946-3-33},
 doi = {10.1186/1758-2946-3-33}
}

@article{Ohsaki_2007,
 author = {Ohsaki, S. and Kato, S. and Tsuji, N. and Ohkubo, T. and Hono, K.},
 title = {Bulk mechanical alloying of Cu–Ag and Cu/Zr two-phase microstructures by accumulative roll-bonding process},
 journal = {Acta Materialia},
 publisher = {Elsevier BV},
 year = {2007},
 month = {may},
 number = {8},
 volume = {55},
 pages = {2885--2895},
 url = {https://doi.org/10.1016\%2Fj.actamat.2006.12.027},
 doi = {10.1016/j.actamat.2006.12.027}
}

@article{Olmsted_2005,
 author = {Olmsted, David L and HectorJr, Louis G and Curtin, W A and Clifton, R J},
 title = {Atomistic simulations of dislocation mobility in Al, Ni and Al/Mg alloys},
 journal = {Modelling and Simulation in Materials Science and Engineering},
 publisher = {IOP Publishing},
 year = {2005},
 month = {mar},
 number = {3},
 volume = {13},
 pages = {371--388},
 url = {https://doi.org/10.1088\%2F0965-0393\%2F13\%2F3\%2F007},
 doi = {10.1088/0965-0393/13/3/007}
}

@article{P_terffy_2020,
 author = {Péterffy, Gábor and Ispánovity, Péter D. and Foster, Michael E. and Zhou, Xiaowang and Sills, Ryan B.},
 title = {Length scales and scale-free dynamics of dislocations in dense solid solutions},
 journal = {Materials Theory},
 publisher = {Springer Science and Business Media LLC},
 year = {2020},
 month = {nov},
 number = {1},
 volume = {4},
 url = {https://doi.org/10.1186\%2Fs41313-020-00023-z},
 doi = {10.1186/s41313-020-00023-z}
}

@article{Pangarov_1964,
 author = {Pangarov, N. A.},
 title = {On the crystal orientation of electrodeposited metals},
 journal = {Electrochimica Acta},
 publisher = {Elsevier BV},
 year = {1964},
 month = {jun},
 number = {6},
 volume = {9},
 pages = {721--726},
 url = {https://doi.org/10.1016\%2F0013-4686\%2864\%2980060-8},
 doi = {10.1016/0013-4686(64)80060-8}
}

@article{Papanikolaou_2017,
 author = {Papanikolaou, S. and Song, H. and der Giessen, E. Van},
 title = {Obstacles and sources in dislocation dynamics: Strengthening and statistics of abrupt plastic events in nanopillar compression},
 journal = {Journal of the Mechanics and Physics of Solids},
 publisher = {Elsevier BV},
 year = {2017},
 month = {may},
 volume = {102},
 pages = {17--29},
 url = {https://doi.org/10.1016\%2Fj.jmps.2017.02.004},
 doi = {10.1016/j.jmps.2017.02.004}
}

@article{Pascuet_2019,
 author = {Pascuet, M. I. and Monnet, G. and Bonny, G. and Martínez, E. and Lim, J. J. H. and Burke, M. G. and Malerba, L.},
 title = {Solute precipitation on a screw dislocation and its effects on dislocation mobility in bcc Fe},
 journal = {Journal of Nuclear Materials},
 publisher = {Elsevier BV},
 year = {2019},
 month = {jun},
 volume = {519},
 pages = {265--273},
 url = {https://doi.org/10.1016\%2Fj.jnucmat.2019.04.007},
 doi = {10.1016/j.jnucmat.2019.04.007}
}

@article{Pedrazzini_2016,
 author = {Pedrazzini, S. and Galano, M. and Audebert, F. and Collins, D. M. and Hofmann, F. and Abbey, B. and Korsunsky, A. M. and Lieblich, M. and Escorial, A. Garcia and Smith, G. D. W.},
 title = {Strengthening mechanisms in an Al-Fe-Cr-Ti nano-quasicrystalline alloy and composites},
 journal = {Materials Science and Engineering: A},
 publisher = {Elsevier BV},
 year = {2016},
 month = {aug},
 volume = {672},
 pages = {175--183},
 url = {https://doi.org/10.1016\%2Fj.msea.2016.07.007},
 doi = {10.1016/j.msea.2016.07.007}
}

@article{Pluchino_2016,
 author = {Pluchino, Paula A. and Chen, Xiang and Garcia, Marcus and Xiong, Liming and McDowell, David L. and Chen, Youping},
 title = {Dislocation migration across coherent phase interfaces in SiGe superlattices},
 journal = {Computational Materials Science},
 publisher = {Elsevier BV},
 year = {2016},
 month = {jan},
 volume = {111},
 pages = {1--6},
 url = {https://doi.org/10.1016\%2Fj.commatsci.2015.08.059},
 doi = {10.1016/j.commatsci.2015.08.059}
}

@article{Po_2014,
 author = {Po, Giacomo and Mohamed, Mamdouh S. and Crosby, Tamer and Erel, Can and El-Azab, Anter and Ghoniem, Nasr},
 title = {Recent Progress in Discrete Dislocation Dynamics and Its Applications to Micro Plasticity},
 journal = {JOM},
 publisher = {Springer Science and Business Media LLC},
 year = {2014},
 month = {sep},
 number = {10},
 volume = {66},
 pages = {2108--2120},
 url = {https://doi.org/10.1007\%2Fs11837-014-1153-2},
 doi = {10.1007/s11837-014-1153-2}
}

@article{Potirniche_2006,
 author = {Potirniche, G. P. and Horstemeyer, M. F. and Wagner, G. J. and Gullett, P. M.},
 title = {A molecular dynamics study of void growth and coalescence in single crystal nickel},
 journal = {International Journal of Plasticity},
 publisher = {Elsevier BV},
 year = {2006},
 month = {feb},
 number = {2},
 volume = {22},
 pages = {257--278},
 url = {https://doi.org/10.1016\%2Fj.ijplas.2005.02.001},
 doi = {10.1016/j.ijplas.2005.02.001}
}

@article{Priedeman_2018,
 author = {Priedeman, Jonathan L. and Rosenbrock, Conrad W. and Johnson, Oliver K. and Homer, Eric R.},
 title = {Quantifying and connecting atomic and crystallographic grain boundary structure using local environment representation and dimensionality reduction techniques},
 journal = {Acta Materialia},
 publisher = {Elsevier BV},
 year = {2018},
 month = {dec},
 volume = {161},
 pages = {431--443},
 url = {https://doi.org/10.1016\%2Fj.actamat.2018.09.011},
 doi = {10.1016/j.actamat.2018.09.011}
}

@article{Rafaja_2009,
 author = {Rafaja, D. and Schimpf, C. and Klemm, V. and Schreiber, G. and Bakonyi, I. and Péter, L.},
 title = {Formation of microstructural defects in electrodeposited Co/Cu multilayers},
 journal = {Acta Materialia},
 publisher = {Elsevier BV},
 year = {2009},
 month = {jun},
 number = {11},
 volume = {57},
 pages = {3211--3222},
 url = {https://doi.org/10.1016\%2Fj.actamat.2009.03.029},
 doi = {10.1016/j.actamat.2009.03.029}
}

@article{Ren_2011,
 author = {Ren, Fengzhang and Zhao, Shiyang and Li, Wuhui and Tian, Baohong and Yin, Litao and Volinsky, Alex A.},
 title = {Theoretical explanation of Ag/Cu and Cu/Ni nanoscale multilayers softening},
 journal = {Materials Letters},
 publisher = {Elsevier BV},
 year = {2011},
 month = {jan},
 number = {1},
 volume = {65},
 pages = {119--121},
 url = {https://doi.org/10.1016\%2Fj.matlet.2010.09.063},
 doi = {10.1016/j.matlet.2010.09.063}
}

@article{Reuber_2014,
 author = {Reuber, C. and Eisenlohr, P. and Roters, F. and Raabe, D.},
 title = {Dislocation density distribution around an indent in single-crystalline nickel: Comparing nonlocal crystal plasticity finite-element predictions with experiments},
 journal = {Acta Materialia},
 publisher = {Elsevier BV},
 year = {2014},
 month = {jun},
 volume = {71},
 pages = {333--348},
 url = {https://doi.org/10.1016\%2Fj.actamat.2014.03.012},
 doi = {10.1016/j.actamat.2014.03.012}
}
@article{Robertson_2001,
 author = {Robertson, I. M.},
 title = {The effect of hydrogen on dislocation dynamics},
 journal = {Engineering Fracture Mechanics},
 publisher = {Elsevier BV},
 year = {2001},
 month = {apr},
 number = {6},
 volume = {68},
 pages = {671--692},
 url = {https://doi.org/10.1016\%2Fs0013-7944\%2801\%2900011-x},
 doi = {10.1016/s0013-7944(01)00011-x}
}

@article{Roussel_2006,
 author = {Roussel, Jean-Marc and Bellon, Pascal},
 title = {Interface sharpening and broadening during annealing ofCu∕Nimultilayers: A kinetic Monte Carlo study},
 journal = {Physical Review B},
 publisher = {American Physical Society (APS)},
 year = {2006},
 month = {feb},
 number = {8},
 volume = {73},
 url = {https://doi.org/10.1103\%2Fphysrevb.73.085403},
 doi = {10.1103/physrevb.73.085403}
}

@article{Rudd_2009,
 author = {Rudd, Robert E.},
 title = {Void growth in bcc metals simulated with molecular dynamics using the Finnis–Sinclair potential},
 journal = {Philosophical Magazine},
 publisher = {Informa UK Limited},
 year = {2009},
 month = {dec},
 number = {34-36},
 volume = {89},
 pages = {3133--3161},
 url = {https://doi.org/10.1080\%2F14786430903222529},
 doi = {10.1080/14786430903222529}
}

@article{Ryu_2011,
 author = {Ryu, Seunghwa and Kang, Keonwook and Cai, Wei},
 title = {Predicting the dislocation nucleation rate as a function of temperature and stress},
 journal = {Journal of Materials Research},
 publisher = {Springer Science and Business Media LLC},
 year = {2011},
 month = {sep},
 number = {18},
 volume = {26},
 pages = {2335--2354},
 url = {https://doi.org/10.1557\%2Fjmr.2011.275},
 doi = {10.1557/jmr.2011.275}
}

@article{S_enz_Trevizo_2020,
 author = {Sáenz-Trevizo, A and Hodge, A M},
 title = {Nanomaterials by design: a review of nanoscale metallic multilayers},
 journal = {Nanotechnology},
 publisher = {IOP Publishing},
 year = {2020},
 month = {may},
 number = {29},
 volume = {31},
 pages = {292002},
 url = {https://doi.org/10.1088\%2F1361-6528\%2Fab803f},
 doi = {10.1088/1361-6528/ab803f}
}

@article{Sadigh_2012,
 author = {Sadigh, Babak and Erhart, Paul and Stukowski, Alexander and Caro, Alfredo and Martinez, Enrique and Zepeda-Ruiz, Luis},
 title = {Scalable parallel Monte Carlo algorithm for atomistic simulations of precipitation in alloys},
 journal = {Physical Review B},
 publisher = {American Physical Society (APS)},
 year = {2012},
 month = {may},
 number = {18},
 volume = {85},
 url = {https://doi.org/10.1103\%2Fphysrevb.85.184203},
 doi = {10.1103/physrevb.85.184203}
}

@article{Saito_1999,
 author = {Saito, Y. and Utsunomiya, H. and Tsuji, N. and Sakai, T.},
 title = {Novel ultra-high straining process for bulk materials—development of the accumulative roll-bonding (ARB) process},
 journal = {Acta Materialia},
 publisher = {Elsevier BV},
 year = {1999},
 month = {jan},
 number = {2},
 volume = {47},
 pages = {579--583},
 url = {https://doi.org/10.1016\%2Fs1359-6454\%2898\%2900365-6},
 doi = {10.1016/s1359-6454(98)00365-6}
}

@article{Sangid_2011,
 author = {Sangid, Michael D. and Ezaz, Tawhid and Sehitoglu, Huseyin and Robertson, Ian M.},
 title = {Energy of slip transmission and nucleation at grain boundaries},
 journal = {Acta Materialia},
 publisher = {Elsevier BV},
 year = {2011},
 month = {jan},
 number = {1},
 volume = {59},
 pages = {283--296},
 url = {https://doi.org/10.1016\%2Fj.actamat.2010.09.032},
 doi = {10.1016/j.actamat.2010.09.032}
}

@article{Sangid_2012,
 author = {Sangid, Michael D. and Ezaz, Tawhid and Sehitoglu, Huseyin},
 title = {Energetics of residual dislocations associated with slip–twin and slip–GBs interactions},
 journal = {Materials Science and Engineering: A},
 publisher = {Elsevier BV},
 year = {2012},
 month = {apr},
 volume = {542},
 pages = {21--30},
 url = {https://doi.org/10.1016\%2Fj.msea.2012.02.023},
 doi = {10.1016/j.msea.2012.02.023}
}

@article{Santos_G_emes_2021,
 author = {Santos-Güemes, R. and Capolungo, L. and Segurado, J. and LLorca, J.},
 title = {Dislocation dynamics prediction of the strength of Al-Cu alloys containing shearable θ$\prime$$\prime$ precipitates},
 journal = {Journal of the Mechanics and Physics of Solids},
 publisher = {Elsevier BV},
 year = {2021},
 month = {mar},
 pages = {104375},
 url = {https://doi.org/10.1016\%2Fj.jmps.2021.104375},
 doi = {10.1016/j.jmps.2021.104375}
}

@article{Schwahn_1983,
 author = {Schwahn, D. and Ullmaier, H. and Schelten, J. and Kesternich, W.},
 title = {Gas densities in he bubbles and their size distribution in nickel measured by neutron scattering},
 journal = {Acta Metallurgica},
 publisher = {Elsevier BV},
 year = {1983},
 month = {dec},
 number = {12},
 volume = {31},
 pages = {2003--2011},
 url = {https://doi.org/10.1016\%2F0001-6160\%2883\%2990017-2},
 doi = {10.1016/0001-6160(83)90017-2}
}

@article{Selimov_2018,
 author = {Selimov, Alex and Jahan, Sanjida Akter and Barker, Eric and Dackus, Peter and Carolan, Declan and Taylor, Ambrose and Raghavan, Seetha},
 title = {Silane functionalization effects on dispersion of alumina nanoparticles in hybrid carbon fiber composites},
 journal = {Applied Optics},
 publisher = {The Optical Society},
 year = {2018},
 month = {aug},
 number = {23},
 volume = {57},
 pages = {6671},
 url = {https://doi.org/10.1364\%2Fao.57.006671},
 doi = {10.1364/ao.57.006671}
}

@article{Selimov_2021,
 author = {Selimov, Alex and Xu, Shuozhi and Chen, Youping and McDowell, David},
 title = {Lattice dislocation induced misfit dislocation evolution in semi-coherent ${111}$ bimetal interfaces},
 journal = {Journal of Materials Research},
 publisher = {Springer Science and Business Media LLC},
 year = {2021},
 month = {apr},
 url = {https://doi.org/10.1557\%2Fs43578-021-00184-8},
}

@article{Selimov_2022,
 author = {Selimov, A. and Chu, K. and McDowell, D. L.},
 title = {Effects of interdiffusion on shear response of semi-coherent \{111\} interfaces in Ni/Cu},
 journal = {International Journal of Plasticity},
 publisher = {Elsevier BV},
 year = {2022},
 month = {jul},
 pages = {103393},
 url = {https://doi.org/10.1016\%2Fj.ijplas.2022.103393},
 doi = {10.1016/j.ijplas.2022.103393}
}

@article{Shao_2010,
 author = {Shao, S and Medyanik, S N},
 title = {Interaction of dislocations with incoherent interfaces in nanoscale FCC–BCC metallic bi-layers},
 journal = {Modelling and Simulation in Materials Science and Engineering},
 publisher = {IOP Publishing},
 year = {2010},
 month = {may},
 number = {5},
 volume = {18},
 pages = {055010},
 url = {https://doi.org/10.1088\%2F0965-0393\%2F18\%2F5\%2F055010},
 doi = {10.1088/0965-0393/18/5/055010}
}

@article{Shao_2013,
 author = {Shao, Shuai and Wang, Jian and Misra, Amit and Hoagland, Richard G.},
 title = {Spiral Patterns of Dislocations at Nodes in (111) Semi-coherent FCC Interfaces},
 journal = {Scientific Reports},
 publisher = {Springer Science and Business Media LLC},
 year = {2013},
 month = {aug},
 number = {1},
 volume = {3},
 url = {https://doi.org/10.1038\%2Fsrep02448},
}

@article{Shao_2013a,
 author = {Shao, S. and Zbib, H. M. and Mastorakos, I. and Bahr, D. F.},
 title = {Effect of Interfaces in the Work Hardening of Nanoscale Multilayer Metallic Composites During Nanoindentation: A Molecular Dynamics Investigation},
 journal = {Journal of Engineering Materials and Technology},
 publisher = {ASME International},
 year = {2013},
 month = {mar},
 number = {2},
 volume = {135},
 url = {https://doi.org/10.1115\%2F1.4023672},
 doi = {10.1115/1.4023672}
}

@article{Shao_2014,
 author = {Shao, Shuai and Wang, J. and Misra, Amit},
 title = {Energy minimization mechanisms of semi-coherent interfaces},
 journal = {Journal of Applied Physics},
 publisher = {AIP Publishing},
 year = {2014},
 month = {jul},
 number = {2},
 volume = {116},
 pages = {023508},
 url = {https://doi.org/10.1063\%2F1.4889927},
 doi = {10.1063/1.4889927}
}

@article{Shao_2015,
 author = {Shao, Shuai and Wang, Jian and Beyerlein, Irene J. and Misra, Amit},
 title = {Glide dislocation nucleation from dislocation nodes at semi-coherent \{ 1 1 1 \} {Cu}-{Ni} interfaces},
 journal = {Acta Materialia},
 publisher = {Elsevier BV},
 year = {2015},
 month = {oct},
 volume = {98},
 pages = {206--220},
 url = {https://doi.org/10.1016\\%2Fj.actamat.2015.07.044},
 doi = {10.1016/j.actamat.2015.07.044}
}

@incollection{Shao_2020,
 author = {Shao, Shuai and Zhou, Caizhi and Misra, Amit and Wang, Jian},
 title = {Mesoscale Modeling of Dislocation-Interactions in Multilayered Materials},
 publisher = {Springer International Publishing},
 year = {2020},
 pages = {1049--1078},
 url = {https://doi.org/10.1007\%2F978-3-319-44677-6_86},
 doi = {10.1007/978-3-319-44677-6_86},
 booktitle = {Handbook of Materials Modeling}
}

@article{Shapeev_2012,
 author = {Shapeev, Alexander V.},
 title = {Consistent Energy-Based Atomistic/Continuum Coupling for Two-Body Potentials in Three Dimensions},
 journal = {SIAM Journal on Scientific Computing},
 publisher = {Society for Industrial \& Applied Mathematics (SIAM)},
 year = {2012},
 month = {jan},
 number = {3},
 volume = {34},
 pages = {B335--B360},
 url = {https://doi.org/10.1137\%2F110844544},
 doi = {10.1137/110844544}
}

@article{Shen_2005,
 author = {Shen, T. D. and Schwarz, R. B. and Zhang, X.},
 title = {Bulk nanostructured alloys prepared by flux melting and melt solidification},
 journal = {Applied Physics Letters},
 publisher = {AIP Publishing},
 year = {2005},
 month = {oct},
 number = {14},
 volume = {87},
 pages = {141906},
 url = {https://doi.org/10.1063\%2F1.2056610},
 doi = {10.1063/1.2056610}
}

@article{Shi_2020,
 author = {Shi, Jingyi and Liu, Xing and Peng, Lei and Huang, Jianjun and Sun, Huibin and Li, Jiangang},
 title = {Atomic-scale mechanisms of He/V ratio effect on helium bubble hardening in iron for neutron irradiated F/M steels},
 journal = {Journal of Nuclear Materials},
 publisher = {Elsevier BV},
 year = {2020},
 month = {dec},
 volume = {542},
 pages = {152495},
 url = {https://doi.org/10.1016\%2Fj.jnucmat.2020.152495},
 doi = {10.1016/j.jnucmat.2020.152495}
}

@article{Shilkrot_2002,
 author = {Shilkrot, L. E. and Miller, R. E. and Curtin, W. A.},
 title = {Coupled Atomistic and Discrete Dislocation Plasticity},
 journal = {Physical Review Letters},
 publisher = {American Physical Society (APS)},
 year = {2002},
 month = {jun},
 number = {2},
 volume = {89},
 url = {https://doi.org/10.1103\%2Fphysrevlett.89.025501},
 doi = {10.1103/physrevlett.89.025501}
}

@article{Shimokawa_2007,
 author = {Shimokawa, T. and Kinari, T. and Shintaku, S.},
 title = {Interaction mechanism between edge dislocations and asymmetrical tilt grain boundaries investigated via quasicontinuum simulations},
 journal = {Physical Review B},
 publisher = {American Physical Society (APS)},
 year = {2007},
 month = {apr},
 number = {14},
 volume = {75},
 url = {https://doi.org/10.1103\%2Fphysrevb.75.144108},
 doi = {10.1103/physrevb.75.144108}
}

@article{Shin_2003,
 author = {Shin, C. S. and Fivel¶, M. C. and Verdier, M. and Oh, K. H.},
 title = {Dislocation–impenetrable precipitate interaction: a three-dimensional discrete dislocation dynamics analysis},
 journal = {Philosophical Magazine},
 publisher = {Informa UK Limited},
 year = {2003},
 month = {oct},
 number = {31-34},
 volume = {83},
 pages = {3691--3704},
 url = {https://doi.org/10.1080\%2F14786430310001599379},
 doi = {10.1080/14786430310001599379}
}

@article{Shinoda_2004,
 author = {Shinoda, Wataru and Shiga, Motoyuki and Mikami, Masuhiro},
 title = {Rapid estimation of elastic constants by molecular dynamics simulation under constant stress},
 journal = {Physical Review B},
 publisher = {American Physical Society (APS)},
 year = {2004},
 month = {apr},
 number = {13},
 volume = {69},
 url = {https://doi.org/10.1103\%2Fphysrevb.69.134103},
 doi = {10.1103/physrevb.69.134103}
}

@article{Sills_2020,
 author = {Sills, Ryan B. and Foster, Michael E. and Zhou, Xiaowang W.},
 title = {Line-length-dependent dislocation mobilities in an FCC stainless steel alloy},
 journal = {International Journal of Plasticity},
 publisher = {Elsevier BV},
 year = {2020},
 month = {dec},
 volume = {135},
 pages = {102791},
 url = {https://doi.org/10.1016\%2Fj.ijplas.2020.102791},
 doi = {10.1016/j.ijplas.2020.102791}
}

@article{Singh_2009,
 author = {Singh, Surendra and Basu, Saibal and Ghosh, S. K.},
 title = {Structure and morphology of Cu/Ni film grown by electrodeposition method: A study of neutron reflectivity and AFM},
 journal = {Applied Surface Science},
 publisher = {Elsevier BV},
 year = {2009},
 month = {mar},
 number = {11},
 volume = {255},
 pages = {5910--5916},
 url = {https://doi.org/10.1016\%2Fj.apsusc.2009.01.030},
 doi = {10.1016/j.apsusc.2009.01.030}
}

@article{Smirnov_2015,
 author = {Smirnov, R. D. and Krasheninnikov, S. I. and Guterl, J.},
 title = {Atomistic modeling of growth and coalescence of helium nano-bubbles in tungsten},
 journal = {Journal of Nuclear Materials},
 publisher = {Elsevier BV},
 year = {2015},
 month = {aug},
 volume = {463},
 pages = {359--362},
 url = {https://doi.org/10.1016\%2Fj.jnucmat.2014.10.033},
 doi = {10.1016/j.jnucmat.2014.10.033}
}

@article{Snel_2017,
 author = {Snel, J. and Monclús, M. A. and Castillo-Rodríguez, M. and Mara, N. and Beyerlein, I. J. and Llorca, J. and Molina-Aldareguía, J. M.},
 title = {Deformation Mechanism Map of Cu/Nb Nanoscale Metallic Multilayers as a Function of Temperature and Layer Thickness},
 journal = {JOM},
 publisher = {Springer Science and Business Media LLC},
 year = {2017},
 month = {aug},
 number = {11},
 volume = {69},
 pages = {2214--2226},
 url = {https://doi.org/10.1007\%2Fs11837-017-2533-1},
 doi = {10.1007/s11837-017-2533-1}
}

@incollection{Sobha_Jayakrishnan_2012,
 author = {Jayakrishnan, D. Sobha},
 title = {Electrodeposition: the versatile technique for nanomaterials},
 publisher = {Elsevier},
 year = {2012},
 pages = {86--125},
 url = {https://doi.org/10.1533\%2F9780857095800.1.86},
 doi = {10.1533/9780857095800.1.86},
 booktitle = {Corrosion Protection and Control Using Nanomaterials}
}

@article{Song_2014,
 author = {Song, J. and Curtin, W. A.},
 title = {Mechanisms of hydrogen-enhanced localized plasticity: An atomistic study using $p̆alpha$-Fe as a model system},
 journal = {Acta Materialia},
 publisher = {Elsevier BV},
 year = {2014},
 month = {apr},
 volume = {68},
 pages = {61--69},
 url = {https://doi.org/10.1016\%2Fj.actamat.2014.01.008},
 doi = {10.1016/j.actamat.2014.01.008}
}

@article{Stukowski_2009,
 author = {Stukowski, Alexander},
 title = {Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool},
 journal = {Modelling and Simulation in Materials Science and Engineering},
 publisher = {IOP Publishing},
 year = {2009},
 month = {dec},
 number = {1},
 volume = {18},
 pages = {015012},
 url = {https://doi.org/10.1088\%2F0965-0393\%2F18\%2F1\%2F015012},
 doi = {10.1088/0965-0393/18/1/015012}
}

@article{Sun_2020,
 author = {Sun, Yufeng and Chen, Yao and Tsuji, Nobuhiro and Guan, Shaokang},
 title = {Microstructural evolution and mechanical properties of nanostructured Cu/Ni multilayer fabricated by accumulative roll bonding},
 journal = {Journal of Alloys and Compounds},
 publisher = {Elsevier BV},
 year = {2020},
 month = {apr},
 volume = {819},
 pages = {152956},
 url = {https://doi.org/10.1016\%2Fj.jallcom.2019.152956},
 doi = {10.1016/j.jallcom.2019.152956}
}

@article{Sun_2021,
 author = {Sun, Jiaqi and Li, Yang and Karaaslan, Yenal and Sevik, Cem and Chen, Youping},
 title = {Misfit dislocation structure and thermal boundary conductance of {GaN}/{AlN} interfaces},
 journal = {Journal of Applied Physics},
 publisher = {{AIP} Publishing},
 year = {2021},
 month = {jul},
 number = {3},
 volume = {130},
 pages = {035301},
 url = {https://doi.org/10.1063\%2F5.0049662},
 doi = {10.1063/5.0049662}
}

@article{Tadmor_1996,
 author = {Tadmor, E. B. and Ortiz, M. and Phillips, R.},
 title = {Quasicontinuum analysis of defects in solids},
 journal = {Philosophical Magazine A},
 publisher = {Informa UK Limited},
 year = {1996},
 month = {jun},
 number = {6},
 volume = {73},
 pages = {1529--1563},
 url = {https://doi.org/10.1080\%2F01418619608243000},
 doi = {10.1080/01418619608243000}
}

@article{Tadmor_2013,
 author = {Tadmor, E. B. and Legoll, F. and Kim, W. K. and Dupuy, L. M. and Miller, R. E.},
 title = {Finite-Temperature Quasi-Continuum},
 journal = {Applied Mechanics Reviews},
 publisher = {ASME International},
 year = {2013},
 month = {jan},
 number = {1},
 volume = {65},
 url = {https://doi.org/10.1115\%2F1.4023013},
 doi = {10.1115/1.4023013}
}

@article{Tawfeeq_2019,
 author = {Tawfeeq, Maisaa N. and Klassen, Robert J.},
 title = {Effect of ion implantation on the grain boundary strength of heat treated Inconel X750},
 journal = {Journal of Nuclear Materials},
 publisher = {Elsevier BV},
 year = {2019},
 month = {apr},
 volume = {516},
 pages = {255--263},
 url = {https://doi.org/10.1016\%2Fj.jnucmat.2019.01.013},
 doi = {10.1016/j.jnucmat.2019.01.013}
}

@article{Tehranchi_2016,
 author = {Tehranchi, A and Zhang, X and Lu, G and Curtin, W A},
 title = {Hydrogen–vacancy–dislocation interactions in$p̆alpha$-Fe},
 journal = {Modelling and Simulation in Materials Science and Engineering},
 publisher = {IOP Publishing},
 year = {2016},
 month = {dec},
 number = {2},
 volume = {25},
 pages = {025001},
 url = {https://doi.org/10.1088\%2F1361-651x\%2Faa52cb},
 doi = {10.1088/1361-651x/aa52cb}
}

@article{Terentyev_2010,
 author = {Terentyev, D. and He, X. and Serra, A. and Kuriplach, J.},
 title = {Structure and strength of 〈110〉 tilt grain boundaries in bcc Fe: An atomistic study},
 journal = {Computational Materials Science},
 publisher = {Elsevier BV},
 year = {2010},
 month = {aug},
 number = {2},
 volume = {49},
 pages = {419--429},
 url = {https://doi.org/10.1016\%2Fj.commatsci.2010.05.033},
 doi = {10.1016/j.commatsci.2010.05.033}
}

@article{Terentyev_2013,
 author = {Terentyev, D. and Monnet, G. and Grigorev, P.},
 title = {Transfer of molecular dynamics data to dislocation dynamics to assess dislocation–dislocation loop interaction in iron},
 journal = {Scripta Materialia},
 publisher = {Elsevier BV},
 year = {2013},
 month = {oct},
 number = {8},
 volume = {69},
 pages = {578--581},
 url = {https://doi.org/10.1016\%2Fj.scriptamat.2013.06.026},
 doi = {10.1016/j.scriptamat.2013.06.026}
}

@article{Thompson_2022,
 author = {Thompson, Aidan P. and Aktulga, H. Metin and Berger, Richard and Bolintineanu, Dan S. and Brown, W. Michael and Crozier, Paul S. and Veld, Pieter J. in ′t and Kohlmeyer, Axel and Moore, Stan G. and Nguyen, Trung Dac and Shan, Ray and Stevens, Mark J. and Tranchida, Julien and Trott, Christian and Plimpton, Steven J.},
 title = {LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales},
 journal = {Computer Physics Communications},
 publisher = {Elsevier BV},
 year = {2022},
 month = {feb},
 volume = {271},
 pages = {108171},
 url = {https://doi.org/10.1016\%2Fj.cpc.2021.108171},
 doi = {10.1016/j.cpc.2021.108171}
}

@article{Tian_2017,
 author = {Tian, Yuan-Yuan and Li, Jia and Hu, Ze-Ying and Wang, Zhi-Peng and Fang, Qi-Hong},
 title = {Molecular dynamics study of plastic deformation mechanism in Cu/Ag multilayers},
 journal = {Chinese Physics B},
 publisher = {IOP Publishing},
 year = {2017},
 month = {dec},
 number = {12},
 volume = {26},
 pages = {126802},
 url = {https://doi.org/10.1088\%2F1674-1056\%2F26\%2F12\%2F126802},
 doi = {10.1088/1674-1056/26/12/126802}
}

@article{Tian_2020,
 author = {Tian, Xia and Cui, Junzhi and Yang, Mei and Ma, Kaipeng and Xiang, Meizhen},
 title = {Molecular dynamics simulations on shock response and spalling behaviors of semi-coherent \{111\} Cu-Al multilayers},
 journal = {International Journal of Mechanical Sciences},
 publisher = {Elsevier BV},
 year = {2020},
 month = {apr},
 volume = {172},
 pages = {105414},
 url = {https://doi.org/10.1016\%2Fj.ijmecsci.2019.105414},
 doi = {10.1016/j.ijmecsci.2019.105414}
}

@article{Tong_2020,
 author = {Tong, Qi and Li, Shaofan},
 title = {A concurrent multiscale study of dynamic fracture},
 journal = {Computer Methods in Applied Mechanics and Engineering},
 publisher = {Elsevier BV},
 year = {2020},
 month = {jul},
 volume = {366},
 pages = {113075},
 url = {https://doi.org/10.1016\%2Fj.cma.2020.113075},
 doi = {10.1016/j.cma.2020.113075}
}

@article{Tschopp_2015,
 author = {Tschopp, Mark A. and Coleman, Shawn P. and McDowell, David L.},
 title = {Symmetric and asymmetric tilt grain boundary structure and energy in Cu and Al (and transferability to other fcc metals)},
 journal = {Integrating Materials and Manufacturing Innovation},
 publisher = {Springer Science and Business Media LLC},
 year = {2015},
 month = {oct},
 number = {1},
 volume = {4},
 pages = {176--189},
 url = {https://doi.org/10.1186\%2Fs40192-015-0040-1},
 doi = {10.1186/s40192-015-0040-1}
}
@article{Tucker_2009,
 author = {Tucker, G J and Zimmerman, J A and McDowell, D L},
 title = {Shear deformation kinematics of bicrystalline grain boundaries in atomistic simulations},
 journal = {Modelling and Simulation in Materials Science and Engineering},
 publisher = {IOP Publishing},
 year = {2009},
 month = {dec},
 number = {1},
 volume = {18},
 pages = {015002},
 url = {https://doi.org/10.1088\%2F0965-0393\%2F18\%2F1\%2F015002},
 doi = {10.1088/0965-0393/18/1/015002}
}

@article{Tucker_2011,
 author = {Tucker, Garritt J. and Zimmerman, Jonathan A. and McDowell, David L.},
 title = {Continuum metrics for deformation and microrotation from atomistic simulations: Application to grain boundaries},
 journal = {International Journal of Engineering Science},
 publisher = {Elsevier BV},
 year = {2011},
 month = {dec},
 number = {12},
 volume = {49},
 pages = {1424--1434},
 url = {https://doi.org/10.1016\%2Fj.ijengsci.2011.03.019},
 doi = {10.1016/j.ijengsci.2011.03.019}
}

@article{Turlo_2018,
 author = {Turlo, Vladyslav and Rupert, Timothy J.},
 title = {Grain boundary complexions and the strength of nanocrystalline metals: Dislocation emission and propagation},
 journal = {Acta Materialia},
 publisher = {Elsevier BV},
 year = {2018},
 month = {jun},
 volume = {151},
 pages = {100--111},
 url = {https://doi.org/10.1016\%2Fj.actamat.2018.03.055},
 doi = {10.1016/j.actamat.2018.03.055}
}

@article{Varvenne_2017,
 author = {Varvenne, C. and Leyson, G. P. M. and Ghazisaeidi, M. and Curtin, W. A.},
 title = {Solute strengthening in random alloys},
 journal = {Acta Materialia},
 publisher = {Elsevier BV},
 year = {2017},
 month = {feb},
 volume = {124},
 pages = {660--683},
 url = {https://doi.org/10.1016\%2Fj.actamat.2016.09.046},
 doi = {10.1016/j.actamat.2016.09.046}
}

@article{Venables_1974,
 author = {Venables, J. A.},
 title = {On dislocation pole models for twinning},
 journal = {Philosophical Magazine},
 publisher = {Informa UK Limited},
 year = {1974},
 month = {nov},
 number = {5},
 volume = {30},
 pages = {1165--1169},
 url = {https://doi.org/10.1080\%2F14786437408207269},
 doi = {10.1080/14786437408207269}
}

@article{Villacampa_2017,
 author = {Villacampa, I. and Chen, J. C. and Spätig, P. and Seifert, H. P. and Duval, F.},
 title = {Helium effects on IASCC susceptibility in as-implanted solution annealed, cold-worked and post-implantation annealed 316L steel},
 journal = {Corrosion Engineering, Science and Technology},
 publisher = {Informa UK Limited},
 year = {2017},
 month = {oct},
 number = {8},
 volume = {52},
 pages = {567--577},
 url = {https://doi.org/10.1080\%2F1478422x.2017.1323709},
 doi = {10.1080/1478422x.2017.1323709}
}
@article{Vineyard_1957,
 author = {Vineyard, George H.},
 title = {Frequency factors and isotope effects in solid state rate processes},
 journal = {Journal of Physics and Chemistry of Solids},
 publisher = {Elsevier BV},
 year = {1957},
 month = {jan},
 number = {1-2},
 volume = {3},
 pages = {121--127},
 url = {https://doi.org/10.1016\%2F0022-3697\%2857\%2990059-8},
 doi = {10.1016/0022-3697(57)90059-8}
}

@article{Virtanen_2020,
 author = {Virtanen, Pauli and Gommers, Ralf and Oliphant, Travis E. and Haberland, Matt and Reddy, Tyler and Cournapeau, David and Burovski, Evgeni and Peterson, Pearu and Weckesser, Warren and Bright, Jonathan and der Walt, Stéfan J. van and Brett, Matthew and Wilson, Joshua and Millman, K. Jarrod and Mayorov, Nikolay and Nelson, Andrew R. J. and Jones, Eric and Kern, Robert and Larson, Eric and Carey, C J and Polat,  ̇Ilhan and Feng, Yu and Moore, Eric W. and VanderPlas, Jake and Laxalde, Denis and Perktold, Josef and Cimrman, Robert and Henriksen, Ian and Quintero, E. A. and Harris, Charles R. and Archibald, Anne M. and Ribeiro, Antônio H. and Pedregosa, Fabian and van Mulbregt, Paul and Vijaykumar, Aditya and Bardelli, Alessandro Pietro and Rothberg, Alex and Hilboll, Andreas and Kloeckner, Andreas and Scopatz, Anthony and Lee, Antony and Rokem, Ariel and Woods, C. Nathan and Fulton, Chad and Masson, Charles and Häggström, Christian and Fitzgerald, Clark and Nicholson, David A. and Hagen, David R. and Pasechnik, Dmitrii V. and Olivetti, Emanuele and Martin, Eric and Wieser, Eric and Silva, Fabrice and Lenders, Felix and Wilhelm, Florian and Young, G. and Price, Gavin A. and Ingold, Gert-Ludwig and Allen, Gregory E. and Lee, Gregory R. and Audren, Hervé and Probst, Irvin and Dietrich, Jörg P. and Silterra, Jacob and Webber, James T and Slavič, Janko and Nothman, Joel and Buchner, Johannes and Kulick, Johannes and Schönberger, Johannes L. and Miranda Cardoso, José Vinícius de and Reimer, Joscha and Harrington, Joseph and Rodríguez, Juan Luis Cano and Nunez-Iglesias, Juan and Kuczynski, Justin and Tritz, Kevin and Thoma, Martin and Newville, Matthew and Kümmerer, Matthias and Bolingbroke, Maximilian and Tartre, Michael and Pak, Mikhail and Smith, Nathaniel J. and Nowaczyk, Nikolai and Shebanov, Nikolay and Pavlyk, Oleksandr and Brodtkorb, Per A. and Lee, Perry and McGibbon, Robert T. and Feldbauer, Roman and Lewis, Sam and Tygier, Sam and Sievert, Scott and Vigna, Sebastiano and Peterson, Stefan and More, Surhud and Pudlik, Tadeusz and Oshima, Takuya and Pingel, Thomas J. and Robitaille, Thomas P. and Spura, Thomas and Jones, Thouis R. and Cera, Tim and Leslie, Tim and Zito, Tiziano and Krauss, Tom and Upadhyay, Utkarsh and Halchenko, Yaroslav O. and and, Yoshiki Vázquez-Baeza},
 title = {SciPy 1.0: fundamental algorithms for scientific computing in Python},
 journal = {Nature Methods},
 publisher = {Springer Science and Business Media LLC},
 year = {2020},
 month = {feb},
 number = {3},
 volume = {17},
 pages = {261--272},
 url = {https://doi.org/10.1038\%2Fs41592-019-0686-2},
 doi = {10.1038/s41592-019-0686-2}
}

@article{Vo_2008,
 author = {Vo, N. Q. and Averback, R. S. and Bellon, P. and Odunuga, S. and Caro, A.},
 title = {Quantitative description of plastic deformation in nanocrystalline Cu: Dislocation glide versus grain boundary sliding},
 journal = {Physical Review B},
 publisher = {American Physical Society (APS)},
 year = {2008},
 month = {apr},
 number = {13},
 volume = {77},
 url = {https://doi.org/10.1103\%2Fphysrevb.77.134108},
}

@article{Voter_1984,
 author = {Voter, Arthur F. and Doll, Jimmie D.},
 title = {Transition state theory description of surface self-diffusion: Comparison with classical trajectory results},
 journal = {The Journal of Chemical Physics},
 publisher = {AIP Publishing},
 year = {1984},
 month = {jun},
 number = {11},
 volume = {80},
 pages = {5832--5838},
 url = {https://doi.org/10.1063\%2F1.446610},
 doi = {10.1063/1.446610}
}

@article{WANG_2019,
 author = {WANG, Lin and DU, Qing-lin and LI, Chang and CUI, Xiao-hui and ZHAO, Xing and YU, Hai-liang},
 title = {Enhanced mechanical properties of lamellar Cu/Al composites processed via high-temperature accumulative roll bonding},
 journal = {Transactions of Nonferrous Metals Society of China},
 publisher = {Elsevier BV},
 year = {2019},
 month = {aug},
 number = {8},
 volume = {29},
 pages = {1621--1630},
 url = {https://doi.org/10.1016\%2Fs1003-6326\%2819\%2965069-7},
 doi = {10.1016/s1003-6326(19)65069-7}
}

@article{Wang_2009,
 author = {Wang, Jian and Hoagland, Richard G. and Misra, Amit},
 title = {Room-temperature dislocation climb in metallic interfaces},
 journal = {Applied Physics Letters},
 publisher = {AIP Publishing},
 year = {2009},
 month = {mar},
 number = {13},
 volume = {94},
 pages = {131910},
 url = {https://doi.org/10.1063\%2F1.3111137},
 doi = {10.1063/1.3111137}
}

@article{Wang_2014,
 author = {Wang, J. and Beyerlein, I. J. and Tomé, C. N.},
 title = {Reactions of lattice dislocations with grain boundaries in Mg: Implications on the micro scale from atomic-scale calculations},
 journal = {International Journal of Plasticity},
 publisher = {Elsevier BV},
 year = {2014},
 month = {may},
 volume = {56},
 pages = {156--172},
 url = {https://doi.org/10.1016\%2Fj.ijplas.2013.11.009},
 doi = {10.1016/j.ijplas.2013.11.009}
}

@article{Wang_2014a,
 author = {Wang, Jian and Zhou, Caizhi and Beyerlein, Irene J. and Shao, Shuai},
 title = {Modeling Interface-Dominated Mechanical Behavior of Nanolayered Crystalline Composites},
 journal = {JOM},
 publisher = {Springer Science and Business Media LLC},
 year = {2014},
 month = {nov},
 number = {1},
 volume = {66},
 pages = {102--113},
 url = {https://doi.org/10.1007\%2Fs11837-013-0808-8},
 doi = {10.1007/s11837-013-0808-8}
}

@article{Wang_2015,
 author = {Wang, Jian},
 title = {Atomistic Simulations of Dislocation Pileup: Grain Boundaries Interaction},
 journal = {JOM},
 publisher = {Springer Science and Business Media LLC},
 year = {2015},
 month = {may},
 number = {7},
 volume = {67},
 pages = {1515--1525},
 url = {https://doi.org/10.1007\%2Fs11837-015-1454-0},
 doi = {10.1007/s11837-015-1454-0}
}

@article{Wang_2016,
 author = {Wang, Jian and Zhou, Qing and Shao, Shuai and Misra, Amit},
 title = {Strength and plasticity of nanolaminated materials},
 journal = {Materials Research Letters},
 publisher = {Informa UK Limited},
 year = {2016},
 month = {sep},
 number = {1},
 volume = {5},
 pages = {1--19},
 url = {https://doi.org/10.1080\%2F21663831.2016.1225321},
 doi = {10.1080/21663831.2016.1225321}
}

@article{Wang_2017,
 author = {Wang, Jian and Zhou, Qing and Shao, Shuai and Misra, Amit},
 title = {Strength and plasticity of nanolaminated materials},
 journal = {Materials Research Letters},
 publisher = {Informa UK Limited},
 year = {2017},
 month = {sep},
 number = {1},
 volume = {5},
 pages = {1--19},
 url = {https://doi.org/10.1080\%2F21663831.2016.1225321},
 doi = {10.1080/21663831.2016.1225321}
}

@article{Wang_2020,
 author = {Wang, C. J. and Yao, B. N. and Liu, Z. R. and Kong, X. F. and Legut, D. and Zhang, R. F. and Deng, Y.},
 title = {Effects of solutes on dislocation nucleation and interface sliding of bimetal semi-coherent interface},
 journal = {International Journal of Plasticity},
 publisher = {Elsevier BV},
 year = {2020},
 month = {aug},
 volume = {131},
 pages = {102725},
 url = {https://doi.org/10.1016\%2Fj.ijplas.2020.102725},
 doi = {10.1016/j.ijplas.2020.102725}
}

@article{Weygand_1999,
 author = {Weygand, D. and Bréchet, Y. and Lépinoux, J. and Gust, W.},
 title = {Three-dimensional grain growth: A vertex dynamics simulation},
 journal = {Philosophical Magazine B},
 publisher = {Informa UK Limited},
 year = {1999},
 month = {may},
 number = {5},
 volume = {79},
 pages = {703--716},
 url = {https://doi.org/10.1080\%2F13642819908205744},
 doi = {10.1080/13642819908205744}
}

@article{Williams_2006,
 author = {Williams, P L and Mishin, Y and Hamilton, J C},
 title = {An embedded-atom potential for the {Cu}–{Ag} system},
 journal = {Modelling and Simulation in Materials Science and Engineering},
 publisher = {IOP Publishing},
 year = {2006},
 month = {may},
 number = {5},
 volume = {14},
 pages = {817--833},
 url = {https://doi.org/10.1088\%2F0965-0393\%2F14\%2F5\%2F002},
 doi = {10.1088/0965-0393/14/5/002}
}

@article{Wu_2014,
 author = {Wu, X. and Jiang, P. and Chen, L. and Yuan, F. and Zhu, Y. T.},
 title = {Extraordinary strain hardening by gradient structure},
 journal = {Proceedings of the National Academy of Sciences},
 publisher = {Proceedings of the National Academy of Sciences},
 year = {2014},
 month = {may},
 number = {20},
 volume = {111},
 pages = {7197--7201},
 url = {https://doi.org/10.1073\%2Fpnas.1324069111},
 doi = {10.1073/pnas.1324069111}
}

@article{Wu_2015,
 author = {Wu, Xiaolei and Yang, Muxin and Yuan, Fuping and Wu, Guilin and Wei, Yujie and Huang, Xiaoxu and Zhu, Yuntian},
 title = {Heterogeneous lamella structure unites ultrafine-grain strength with coarse-grain ductility},
 journal = {Proceedings of the National Academy of Sciences},
 publisher = {Proceedings of the National Academy of Sciences},
 year = {2015},
 month = {nov},
 number = {47},
 volume = {112},
 pages = {14501--14505},
 url = {https://doi.org/10.1073\%2Fpnas.1517193112},
 doi = {10.1073/pnas.1517193112}
}

@article{Wu_2018,
 author = {Wu, Cheng-Da and Jiang, Wen-Xiang},
 title = {Molecular dynamics study on deformation and mechanics of nanoscale Au/Cu multilayers under indentation},
 journal = {Journal of Molecular Modeling},
 publisher = {Springer Science and Business Media LLC},
 year = {2018},
 month = {aug},
 number = {9},
 volume = {24},
 url = {https://doi.org/10.1007\%2Fs00894-018-3792-7},
 doi = {10.1007/s00894-018-3792-7}
}

@article{Wu_2020,
 author = {Wu, Cheng-Da and Huang, Bo-Xun and Li, He-Xing},
 title = {Effects of interfacial defect on deformation and mechanical properties of Cu/Ni bilayer—A molecular dynamics study},
 journal = {Thin Solid Films},
 publisher = {Elsevier BV},
 year = {2020},
 month = {aug},
 volume = {707},
 pages = {138050},
 url = {https://doi.org/10.1016\%2Fj.tsf.2020.138050},
 doi = {10.1016/j.tsf.2020.138050}
}

@article{Wu_2020a,
 author = {Wu, Cheng-Da and Fang, Te-Hua and Su, Wen-Cheng and Fan, Yu-Cheng},
 title = {Effects of constituting material and interfacial crack on mechanical response of nanoscale metallic bilayers – a quasi-continuum study},
 journal = {Molecular Simulation},
 publisher = {Informa UK Limited},
 year = {2020},
 month = {aug},
 number = {15},
 volume = {46},
 pages = {1155--1163},
 url = {https://doi.org/10.1080\%2F08927022.2020.1806263},
 doi = {10.1080/08927022.2020.1806263}
}

@article{Wu_2020b,
 author = {Wu, Wei-Dong and Shao, Jian-Li},
 title = {Atomistic study on the dynamic response of the void or helium bubble in aluminum under compression and tension},
 journal = {Journal of Applied Physics},
 publisher = {AIP Publishing},
 year = {2020},
 month = {apr},
 number = {15},
 volume = {127},
 pages = {154902},
 url = {https://doi.org/10.1063\%2F5.0004698},
 doi = {10.1063/5.0004698}
}

@article{Xiang_2018,
 author = {Xiang, Meizhen and Liao, Yi and Wang, Kun and Lu, Guo and Chen, Jun},
 title = {Shock-induced plasticity in semi-coherent {111} Cu-Ni multilayers},
 journal = {International Journal of Plasticity},
 publisher = {Elsevier BV},
 year = {2018},
 month = {apr},
 volume = {103},
 pages = {23--38},
 url = {https://doi.org/10.1016\%2Fj.ijplas.2017.12.005},
 doi = {10.1016/j.ijplas.2017.12.005}
}

@article{Xie_2021,
 author = {Xie, Zhou-Can and Li, Chen and Wang, Hai-Ying and Lu, Chunsheng and Dai, Lan-Hong},
 title = {Hydrogen induced slowdown of spallation in high entropy alloy under shock loading},
 journal = {International Journal of Plasticity},
 publisher = {Elsevier BV},
 year = {2021},
 month = {apr},
 volume = {139},
 pages = {102944},
 url = {https://doi.org/10.1016\%2Fj.ijplas.2021.102944},
 doi = {10.1016/j.ijplas.2021.102944}
}

@article{Xiong_2012,
 author = {Xiong, Liming and McDowell, David L. and Chen, Youping},
 title = {Nucleation and growth of dislocation loops in {Cu}, {Al} and {Si} by a concurrent atomistic-continuum method},
 journal = {Scripta Materialia},
 publisher = {Elsevier BV},
 year = {2012},
 month = {oct},
 number = {7-8},
 volume = {67},
 pages = {633--636},
 url = {https://doi.org/10.1016\%2Fj.scriptamat.2012.07.026},
 doi = {10.1016/j.scriptamat.2012.07.026}
}

@article{Xiong_2012a,
 author = {Xiong, Liming and Deng, Qian and Tucker, Garritt J. and McDowell, David L. and Chen, Youping},
 title = {Coarse-grained atomistic simulations of dislocations in Al, Ni and Cu crystals},
 journal = {International Journal of Plasticity},
 publisher = {Elsevier BV},
 year = {2012},
 month = {nov},
 volume = {38},
 pages = {86--101},
 url = {https://doi.org/10.1016\%2Fj.ijplas.2012.05.002},
 doi = {10.1016/j.ijplas.2012.05.002}
}

@article{Xiong_2015,
 author = {Xiong, Liming and Xu, Shuozhi and McDowell, David L. and Chen, Youping},
 title = {Concurrent atomistic–continuum simulations of dislocation–void interactions in fcc crystals},
 journal = {International Journal of Plasticity},
 publisher = {Elsevier BV},
 year = {2015},
 month = {feb},
 volume = {65},
 pages = {33--42},
 url = {https://doi.org/10.1016\%2Fj.ijplas.2014.08.002},
 doi = {10.1016/j.ijplas.2014.08.002}
}

@phdthesis{Xu_2016,
  title={The concurrent atomistic-continuum method: Advancements and applications in plasticity of face-centered cubic metals},
  author={Xu, Shuozhi},
  year={2016},
  school={Georgia Institute of Technology}
}
@article{Xu_2017,
 author = {Xu, Shuozhi and Xiong, Liming and Chen, Youping and McDowell, David L.},
 title = {Comparing EAM Potentials to Model Slip Transfer of Sequential Mixed Character Dislocations Across Two Symmetric Tilt Grain Boundaries in {Ni}},
 journal = {JOM},
 publisher = {Springer Science and Business Media LLC},
 year = {2017},
 month = {mar},
 number = {5},
 volume = {69},
 pages = {814--821},
 url = {https://doi.org/10.1007\%2Fs11837-017-2302-1},
 doi = {10.1007/s11837-017-2302-1}
}

@article{Xu_2018,
 author = {Xu, Shuozhi and Latypov, Marat I. and Su, Yanqing},
 title = {Concurrent atomistic-continuum simulations of uniaxial compression of gold nano/submicropillars},
 journal = {Philosophical Magazine Letters},
 publisher = {Informa UK Limited},
 year = {2018},
 month = {may},
 number = {5},
 volume = {98},
 pages = {173--182},
 url = {https://doi.org/10.1080\%2F09500839.2018.1515506},
 doi = {10.1080/09500839.2018.1515506}
}

@article{Xu_2019,
 author = {Xu, Shuozhi and McDowell, David L. and Beyerlein, Irene J.},
 title = {Sequential obstacle interactions with dislocations in a planar array},
 journal = {Acta Materialia},
 publisher = {Elsevier BV},
 year = {2019},
 month = {aug},
 volume = {174},
 pages = {160--172},
 url = {https://doi.org/10.1016\%2Fj.actamat.2019.05.030},
 doi = {10.1016/j.actamat.2019.05.030}
}

@article{Xu_2020,
 author = {Xu, Shuozhi and Li, Yang and Chen, Youping},
 title = {{Si}/{Ge} (111) Semicoherent Interfaces: Responses to an In-Plane Shear and Interactions with Lattice Dislocations},
 journal = {physica status solidi (b)},
 publisher = {Wiley},
 volume = {257},
 issue = {12},
 year = {2020},
 month = {aug},
 pages = {2000274},
 url = {https://doi.org/10.1002\%2Fpssb.202000274},
 doi = {10.1002/pssb.202000274}
}

@article{Xu_2020a,
 author = {Xu, Shuozhi and Mianroodi, Jaber R. and Hunter, Abigail and Svendsen, Bob and Beyerlein, Irene J.},
 title = {Comparative modeling of the disregistry and Peierls stress for dissociated edge and screw dislocations in Al},
 journal = {International Journal of Plasticity},
 publisher = {Elsevier BV},
 year = {2020},
 month = {jun},
 volume = {129},
 pages = {102689},
 url = {https://doi.org/10.1016\%2Fj.ijplas.2020.102689},
 doi = {10.1016/j.ijplas.2020.102689}
}

@article{Yadav_2017,
 author = {Yadav, S. K. and Shao, S. and Chen, Y. and Wang, J. and Liu, X. -Y.},
 title = {Atomistic modeling of Mg/Nb interfaces: shear strength and interaction with lattice glide dislocations},
 journal = {Journal of Materials Science},
 publisher = {Springer Science and Business Media LLC},
 year = {2017},
 month = {oct},
 number = {8},
 volume = {53},
 pages = {5733--5744},
 url = {https://doi.org/10.1007\%2Fs10853-017-1703-4},
 doi = {10.1007/s10853-017-1703-4}
}

@article{Yan_2016,
 author = {Yan, X. L. and Liu, Y. and Swart, H. C. and Wang, J. Y. and Terblans, J. J.},
 title = {Investigation of interdiffusion and depth resolution in Cu/Ni multilayers by means of AES depth profiling},
 journal = {Applied Surface Science},
 publisher = {Elsevier BV},
 year = {2016},
 month = {feb},
 volume = {364},
 pages = {567--572},
 url = {https://doi.org/10.1016\%2Fj.apsusc.2015.12.151},
 doi = {10.1016/j.apsusc.2015.12.151}
}

@article{Yang_2015,
 author = {Yang, Shengfeng and Chen, Youping},
 title = {Concurrent atomistic and continuum simulation of bi-crystal strontium titanate with tilt grain boundary},
 journal = {Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences},
 publisher = {The Royal Society},
 year = {2015},
 month = {mar},
 number = {2175},
 volume = {471},
 pages = {20140758},
 url = {https://doi.org/10.1098\%2Frspa.2014.0758},
 doi = {10.1098/rspa.2014.0758}
}

@article{Yang_2020,
 author = {Yang, Hui and Zhu, Linggang and Zhang, Ruifeng and Zhou, Jian and Sun, Zhimei},
 title = {Shearing dominated by the coupling of the interfacial misfit and atomic bonding at the FCC (111) semi-coherent interfaces},
 journal = {Materials \& Design},
 publisher = {Elsevier BV},
 year = {2020},
 month = {jan},
 volume = {186},
 pages = {108294},
 url = {https://doi.org/10.1016\%2Fj.matdes.2019.108294},
 doi = {10.1016/j.matdes.2019.108294}
}

@article{Yang_2020a,
 author = {Yang, Hui and Zhu, Linggang and Zhang, Ruifeng and Zhou, Jian and Sun, Zhimei},
 title = {Influence of high stacking-fault energy on the dissociation mechanisms of misfit dislocations at semi-coherent interfaces},
 journal = {International Journal of Plasticity},
 publisher = {Elsevier BV},
 year = {2020},
 month = {mar},
 volume = {126},
 pages = {102610},
 url = {https://doi.org/10.1016\%2Fj.ijplas.2019.09.016},
 doi = {10.1016/j.ijplas.2019.09.016}
}

@article{Yao_1999,
 author = {Yao, Yugui and Wang, Tsuchiang and Wang, Chongyu},
 title = {Peierls-Nabarro model of interfacial misfit dislocation: An analytic solution},
 journal = {Physical Review B},
 publisher = {American Physical Society (APS)},
 year = {1999},
 month = {mar},
 number = {12},
 volume = {59},
 pages = {8232--8236},
 url = {https://doi.org/10.1103\%2Fphysrevb.59.8232},
 doi = {10.1103/physrevb.59.8232}
}

@article{Yao_2020,
 author = {Yao, B. N. and Zhang, R. F.},
 title = {AADIS: An atomistic analyzer for dislocation character and distribution},
 journal = {Computer Physics Communications},
 publisher = {Elsevier BV},
 year = {2020},
 month = {feb},
 volume = {247},
 pages = {106857},
 url = {https://doi.org/10.1016\%2Fj.cpc.2019.07.020},
 doi = {10.1016/j.cpc.2019.07.020}
}

@article{Yin_2019,
 author = {Yin, Fuxing and Zhao, Yizhe and Yu, Siyuan and Pang, Weiwei},
 title = {Molecular dynamics studies on the interface evolution characteristics and deformation mechanisms of Cu/Al multilayers during compression process},
 journal = {Journal of Applied Physics},
 publisher = {AIP Publishing},
 year = {2019},
 month = {jan},
 number = {2},
 volume = {125},
 pages = {025112},
 url = {https://doi.org/10.1063\%2F1.5055901},
 doi = {10.1063/1.5055901}
}

@article{Zbib_2012,
 author = {Zbib, H. M. and Mastorakos, I. N. and Bahr, D. F.},
 title = {Deformation mechanisms, size effects, and strain hardening in nanoscale metallic multilayers under nanoindentation},
 journal = {Journal of Applied Physics},
 publisher = {AIP Publishing},
 year = {2012},
 month = {aug},
 number = {4},
 volume = {112},
 pages = {044307},
 url = {https://doi.org/10.1063\%2F1.4748149},
 doi = {10.1063/1.4748149}
}

@article{Zepeda_Ruiz_2017,
 author = {Zepeda-Ruiz, Luis A. and Stukowski, Alexander and Oppelstrup, Tomas and Bulatov, Vasily V.},
 title = {Probing the limits of metal plasticity with molecular dynamics simulations},
 journal = {Nature},
 publisher = {Springer Science and Business Media LLC},
 year = {2017},
 month = {sep},
 number = {7677},
 volume = {550},
 pages = {492--495},
 url = {https://doi.org/10.1038\%2Fnature23472},
 doi = {10.1038/nature23472}
}

@article{Zhang_2012,
 author = {Zhang, X. and Fu, E. G. and Li, Nan and Misra, A. and Wang, Y. -Q. and Shao, L. and Wang, H.},
 title = {Design of Radiation Tolerant Nanostructured Metallic Multilayers},
 journal = {Journal of Engineering Materials and Technology},
 publisher = {ASME International},
 year = {2012},
 month = {aug},
 number = {4},
 volume = {134},
 url = {https://doi.org/10.1115\%2F1.4006979},
 doi = {10.1115/1.4006979}
}

@article{Zhang_2014,
 author = {Zhang, R. F. and Germann, T. C. and Liu, X. Y. and Wang, J. and Beyerlein, I. J.},
 title = {Layer size effect on the shock compression behavior of fcc–bcc nanolaminates},
 journal = {Acta Materialia},
 publisher = {Elsevier BV},
 year = {2014},
 month = {oct},
 volume = {79},
 pages = {74--83},
 url = {https://doi.org/10.1016\%2Fj.actamat.2014.07.016},
 doi = {10.1016/j.actamat.2014.07.016}
}

@article{Zhang_2017,
 author = {Zhang, Xiaoman and Zhang, Bin and Mu, Yang and Shao, Shuai and Wick, Collin D. and Ramachandran, B. Ramu and Meng, W. J.},
 title = {Mechanical failure of metal/ceramic interfacial regions under shear loading},
 journal = {Acta Materialia},
 publisher = {Elsevier BV},
 year = {2017},
 month = {oct},
 volume = {138},
 pages = {224--236},
 url = {https://doi.org/10.1016\%2Fj.actamat.2017.07.053},
 doi = {10.1016/j.actamat.2017.07.053}
}

@article{Zhang_2017a,
 author = {Zhang, J. Y. and Wu, K. and Zhang, L. Y. and Wang, Y. Q. and Liu, G. and Sun, J.},
 title = {Unraveling the correlation between Hall-Petch slope and peak hardness in metallic nanolaminates},
 journal = {International Journal of Plasticity},
 publisher = {Elsevier BV},
 year = {2017},
 month = {sep},
 volume = {96},
 pages = {120--134},
 url = {https://doi.org/10.1016\%2Fj.ijplas.2017.04.020},
 doi = {10.1016/j.ijplas.2017.04.020}
}

@article{Zhang_2020,
 author = {Zhang, L. F. and Gao, R. and Zhao, B. L. and Sun, M. and Jing, K. and Wang, X. P. and Hao, T. and Xie, Z. M. and Liu, R. and Fang, Q. F. and Liu, C. S.},
 title = {Effects of annealing temperature and layer thickness on hardening behavior in cross accumulative roll bonded Cu/Fe nanolamellar composite},
 journal = {Journal of Alloys and Compounds},
 publisher = {Elsevier BV},
 year = {2020},
 month = {jun},
 volume = {827},
 pages = {154312},
 url = {https://doi.org/10.1016\%2Fj.jallcom.2020.154312},
 doi = {10.1016/j.jallcom.2020.154312}
}

@article{Zheng_2015,
 author = {Zheng, Shijian and Shao, Shuai and Zhang, Jian and Wang, Yongqiang and Demkowicz, Michael J. and Beyerlein, Irene J. and Mara, Nathan A.},
 title = {Adhesion of voids to bimetal interfaces with non-uniform energies},
 journal = {Scientific Reports},
 publisher = {Springer Science and Business Media LLC},
 year = {2015},
 month = {oct},
 number = {1},
 volume = {5},
 url = {https://doi.org/10.1038\%2Fsrep15428},
 doi = {10.1038/srep15428}
}

@article{Zheng_2020,
 author = {Zheng, Yuanyuan and Yu, Ping and Zhang, Kaiyu and Wen, Mao and Zheng, Jinyang and Zhou, Chengshuang and Zhang, Lin},
 title = {Coupling effect of grain boundary and hydrogen segregation on dislocation nucleation in bi-crystal nickel},
 journal = {International Journal of Hydrogen Energy},
 publisher = {Elsevier BV},
 year = {2020},
 month = {jul},
 number = {38},
 volume = {45},
 pages = {20021--20031},
 url = {https://doi.org/10.1016\%2Fj.ijhydene.2020.04.291},
 doi = {10.1016/j.ijhydene.2020.04.291}
}

@article{Zheng_2021,
 author = {Zheng, Zhouqi and Chen, Jiawei and Zhu, Yaxin and Zhao, Lv and Huang, Minsheng and Liang, Shuang and Li, Zhenhuan},
 title = {An atomistically-informed phase-field model for quantifying the effect of hydrogen on the evolution of dislocations in FCC metals},
 journal = {International Journal of Plasticity},
 publisher = {Elsevier BV},
 year = {2021},
 month = {mar},
 volume = {138},
 pages = {102937},
 url = {https://doi.org/10.1016\%2Fj.ijplas.2021.102937},
 doi = {10.1016/j.ijplas.2021.102937}
}

@article{Zhou_1999,
 author = {Zhou, S. J. and Preston, D. L. and Louchet, F.},
 title = {Investigation of vacancy formation by a jogged dissociated dislocation with large-scale molecular dynamics and dislocation energetics},
 journal = {Acta Materialia},
 publisher = {Elsevier BV},
 year = {1999},
 month = {jul},
 number = {9},
 volume = {47},
 pages = {2695--2703},
 url = {https://doi.org/10.1016\%2Fs1359-6454\%2899\%2900127-5},
 doi = {10.1016/s1359-6454(99)00127-5}
}

@article{Zhou_2003,
 author = {Zhou, Min},
 title = {A new look at the atomic level virial stress: on continuum-molecular system equivalence},
 journal = {Proceedings of the Royal Society of London. Series A: Mathematical, Physical and Engineering Sciences},
 publisher = {The Royal Society},
 year = {2003},
 month = {sep},
 number = {2037},
 volume = {459},
 pages = {2347--2392},
 url = {https://doi.org/10.1098\%2Frspa.2003.1127},
 doi = {10.1098/rspa.2003.1127}
}

@article{Zhou_2018,
 author = {Zhou, Qing and Ren, Yue and Du, Yin and Hua, Dongpeng and Han, Weichao},
 title = {Cracking and Toughening Mechanisms in Nanoscale Metallic Multilayer Films: A Brief Review},
 journal = {Applied Sciences},
 publisher = {MDPI AG},
 year = {2018},
 month = {oct},
 number = {10},
 volume = {8},
 pages = {1821},
 url = {https://doi.org/10.3390\%2Fapp8101821},
 doi = {10.3390/app8101821}
}

@article{Zhou_2018a,
 author = {Zhou, Xiaowang W. and Foster, Michael E. and Sills, Ryan B.},
 title = {An Fe-Ni-Cr embedded atom method potential for austenitic and ferritic systems},
 journal = {Journal of Computational Chemistry},
 publisher = {Wiley},
 year = {2018},
 month = {oct},
 number = {29},
 volume = {39},
 pages = {2420--2431},
 url = {https://doi.org/10.1002\%2Fjcc.25573},
 doi = {10.1002/jcc.25573}
}

@article{Zhou_2020,
 author = {Zhou, Xiao and Curtin, William A.},
 title = {First principles study of the effect of hydrogen in austenitic stainless steels and high entropy alloys},
 journal = {Acta Materialia},
 publisher = {Elsevier BV},
 year = {2020},
 month = {nov},
 volume = {200},
 pages = {932--942},
 url = {https://doi.org/10.1016\%2Fj.actamat.2020.09.070},
 doi = {10.1016/j.actamat.2020.09.070}
}

@article{Zhou_2021,
 author = {Zhou, X. W. and Bartelt, N. C. and Sills, R. B.},
 title = {Enabling simulations of helium bubble nucleation and growth: A strategy for interatomic potentials},
 journal = {Physical Review B},
 publisher = {American Physical Society (APS)},
 year = {2021},
 month = {jan},
 number = {1},
 volume = {103},
 url = {https://doi.org/10.1103\%2Fphysrevb.103.014108},
 doi = {10.1103/physrevb.103.014108}
}

@article{Zhou_2022,
 author = {Zhou, X. W. and Foster, M. E. and Sills, R. B.},
 title = {Molecular dynamics studies of helium bubble effects on grain boundary fracture vulnerabilities in an Fe70Ni11Cr19–1\%H austenitic stainless steel},
 journal = {Journal of Nuclear Materials},
 publisher = {Elsevier BV},
 year = {2022},
 month = {jul},
 volume = {565},
 pages = {153753},
 url = {https://doi.org/10.1016\%2Fj.jnucmat.2022.153753},
 doi = {10.1016/j.jnucmat.2022.153753}
}

@article{Zhu_2020,
 author = {Zhu, Yuntian and Ameyama, Kei and Anderson, Peter M. and Beyerlein, Irene J. and Gao, Huajian and Kim, Hyoung Seop and Lavernia, Enrique and Mathaudhu, Suveen and Mughrabi, Hael and Ritchie, Robert O. and Tsuji, Nobuhiro and Zhang, Xiangyi and Wu, Xiaolei},
 title = {Heterostructured materials: superior properties from hetero-zone interaction},
 journal = {Materials Research Letters},
 publisher = {Informa UK Limited},
 year = {2020},
 month = {sep},
 number = {1},
 volume = {9},
 pages = {1--31},
 url = {https://doi.org/10.1080\%2F21663831.2020.1796836},
 doi = {10.1080/21663831.2020.1796836}
}

@article{Zimmerman_2001,
 author = {Zimmerman, J. A. and Kelchner, C. L. and Klein, P. A. and Hamilton, J. C. and Foiles, S. M.},
 title = {Surface Step Effects on Nanoindentation},
 journal = {Physical Review Letters},
 publisher = {American Physical Society (APS)},
 year = {2001},
 month = {oct},
 number = {16},
 volume = {87},
 url = {https://doi.org/10.1103\%2Fphysrevlett.87.165507},
 doi = {10.1103/physrevlett.87.165507}
}

@article{Zimmerman_2009,
 author = {Zimmerman, Jonathan A. and Bammann, Douglas J. and Gao, Huajian},
 title = {Deformation gradients for continuum mechanical analysis of atomistic simulations},
 journal = {International Journal of Solids and Structures},
 publisher = {Elsevier BV},
 year = {2009},
 month = {jan},
 number = {2},
 volume = {46},
 pages = {238--253},
 url = {https://doi.org/10.1016\%2Fj.ijsolstr.2008.08.036},
 doi = {10.1016/j.ijsolstr.2008.08.036}
}

@article{adhika_crack_2015,
 author = {Adhika, Damar Rastri and Tanaka, Masaki and Daio, Takeshi and Higashida, Kenji},
 title = {Crack tip shielding observed with high-resolution transmission electron microscopy},
 journal = {Microscopy},
 year = {2015},
 number = {5},
 volume = {64},
 pages = {335--340},
 doi = {10.1093/jmicro/dfv032},
 file = {/home/aselimov/docs/My Library/files/699/Adhika et al. - 2015 - Crack tip shielding observed with high-resolution transmission electron microscopy(2).pdf},
 issn = {20505701},
 keyword = {Dislocations, Crack Tip, Analytical, Brittle-to-ductile transition, Dislocation shielding effect, Elasticity, Experimental, Fracture toughness, Geometric phase analysis, HRTEM, Shielding}
}

@article{aghababaei_micromechanics_2014,
 author = {Aghababaei, Ramin and Joshi, Shailendra P.},
 title = {Micromechanics of tensile twinning in magnesium gleaned from molecular dynamics simulations},
 journal = {Acta Materialia},
 year = {2014},
 month = {May},
 volume = {69},
 pages = {326--342},
 url = {http://www.sciencedirect.com/science/article/pii/S1359645414000238},
 doi = {10.1016/j.actamat.2014.01.014},
 abstract = {This work discusses coarse-grained micromechanics of tensile twinning in magnesium (Mg) extracted from molecular dynamics (MD) simulations. We perform MD simulations on Mg single crystal orientations with initial idealized defect structures at temperatures T=5K and 300K. A detailed atomistic analysis reveals that tensile loading along the c-axis of a defective crystal causes an initial incomplete slip ahead of the defect on the first-order pyramidal âØE©c+aâØEplanes, followed by the formation of a \{112̄1\} twin embryo and basal dislocation. These mechanisms aid the formation of \{101̄2\} twins, which evolve rapidly while \{112̄1\} twins disappear. We present a micromechanics picture of the deformation-induced twin structure evolution that is tracked by incorporating a twin orientation analysis (TOA) scheme within Open Visualization Tool. The functional dependencies of the volume fraction (v.f.) and number of twins on the overall plastic strain extracted from this analysis provide a basis to construct kinetic laws for twin evolution in terms of nucleation, growth and coalescence. Preliminary results indicate that \{101̄2\} v.f. evolution is dominated by twin growth in the presence of defects at room temperature, and it may not be strongly rate dependent. © 2014 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.},
 issn = {13596454},
 keyword = {Continuum plasticity, Deformation twinning, Magnesium, MD simulations, Micromechanics}
}

@article{aluru_dynamic_1999,
 author = {Aluru, Srinivas and Sevilgen, Fatih E.},
 title = {Dynamic compressed hyperoctrees with application to the {N}-body problem},
 journal = {Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)},
 year = {1999},
 volume = {1738},
 pages = {21--33},
 doi = {10.1007/3-540-46691-6_2},
 file = {/home/aselimov/docs/My Library/files/885/Aluru, Sevilgen - 1999 - Dynamic compressed hyperoctrees with application to the N-body problem.pdf},
 issn = {16113349}
}

@article{andersen_molecular_1980,
 author = {Andersen, Hans C.},
 title = {Molecular dynamics simulations at constant pressure and/or temperature},
 journal = {The Journal of Chemical Physics},
 year = {1980},
 month = {February},
 number = {4},
 volume = {72},
 pages = {2384--2393},
 url = {http://aip.scitation.org/doi/10.1063/1.439486},
 doi = {10.1063/1.439486},
 abstract = {In the molecular dynamics simulation method for fluids, the equations of motion for a collection of particles in a fixed volume are solved numerically. The energy, volume, and number of particles are constant for a particular simulation, and it is assumed that time averages of properties of the simulated fluid are equal to microcanonical ensemble averages of the same properties. In some situations, it is desirable to perform simulations of a fluid for particular values of temperature and/or pressure or under conditions in which the energy and volume of the fluid can fluctuate. This paper proposes and discusses three methods for performing molecular dynamics simulations under conditions of constant temperature and/or pressure, rather than constant energy and volume. For these three methods, it is shown that time averages of properties of the simulated fluid are equal to averages over the isoenthalpic–isobaric, canonical, and isothermal–isobaric ensembles. Each method is a way of describing the dynamics of ...},
 file = {/home/aselimov/docs/My Library/files/654/Andersen - 1980 - Molecular dynamics simulations at constant pressure andor temperature.pdf},
 issn = {0021-9606},
 keyword = {COMPUTERIZED SIMULATION, STRUCTURE FACTORS, EQUATION OF MOTION, FLUIDS, NUMERICAL SOLUTION, THERMODYNAMIC PROPERTIES, TIME DEPENDENCE}
}

@article{andric_new_2017,
 author = {Andric, Predrag and Curtin, W. A.},
 title = {New theory for {Mode} {I} crack-tip dislocation emission},
 journal = {Journal of the Mechanics and Physics of Solids},
 year = {2017},
 volume = {106},
 pages = {315--337},
 url = {http://dx.doi.org/10.1016/j.jmps.2017.06.006},
 doi = {10.1016/j.jmps.2017.06.006},
 abstract = {A material is intrinsically ductile under Mode I loading when the critical stress intensity KIe for dislocation emission is lower than the critical stress intensity KIc for cleavage. KIe is usually evaluated using the approximate Rice theory, which predicts a dependence on the elastic constants and the unstable stacking fault energy γusf for slip along the plane of dislocation emission. Here, atomistic simulations across a wide range of fcc metals show that KIe is systematically larger (10–30\\%) than predicted. However, the critical (crack tip) shear displacement is up to 40\\% smaller than predicted. The discrepancy arises because Mode I emission is accompanied by the formation of a surface step that is not considered in the Rice theory. A new theory for Mode I emission is presented based on the ideas that (i) the stress resisting step formation at the crack tip creates “lattice trapping” against dislocation emission such that (ii) emission is due to a mechanical instability at the crack tip. The new theory is formulated using a Peierls-type model, naturally includes the energy to form the step, and reduces to the Rice theory (no trapping) when the step energy is small. The new theory predicts a higher KIe at a smaller critical shear displacement, rationalizing deviations of simulations from the Rice theory. Specific predictions of KIe for the simulated materials, usually requiring use of the measured critical crack tip shear displacement due to complex material non-linearity, show very good agreement with simulations. An analytic model involving only γusf, the surface energy γs, and anisotropic elastic constants is shown to be quite accurate, serves as a replacement for the analytical Rice theory, and is used to understand differences between Rice theory and simulation in recent literature. The new theory highlights the role of surface steps created by dislocation emission in Mode I, which has implications not only for intrinsic ductility but also for crack tip twinning and fracture due to chemical interactions at the crack tip.},
 file = {/home/aselimov/docs/My Library/files/652/Andric, Curtin - 2017 - New theory for Mode I crack-tip dislocation emission(2).pdf},
 issn = {00225096},
 keyword = {Dislocations, Fracture, Crack Tip, Atomistics, Cracks, Molecular Statics, Molecular statics simulations}
}

@article{bachurin_dislocation-grain_2010,
 author = {Bachurin, D. V. and Weygand, D. and Gumbsch, P.},
 title = {Dislocation-grain boundary interaction in 〈1 1 1〉 textured thin metal films},
 journal = {Acta Materialia},
 year = {2010},
 number = {16},
 volume = {58},
 pages = {5232--5241},
 url = {http://dx.doi.org/10.1016/j.actamat.2010.05.037},
 doi = {10.1016/j.actamat.2010.05.037},
 abstract = {The interaction of lattice dislocations with symmetrical and asymmetrical tilt grain boundaries in 〈1 1 1〉 textured thin nickel films was investigated using atomistic simulation methods. It was found that the misorientation angle of the grain boundary, the sign of the Burgers vector of the incoming dislocation and the exact site where the dislocation meets the grain boundary are all important parameters determining the ability of the dislocation to penetrate the boundary. Inclination angle, however, does not make an important difference on the transmission scenario of full dislocations. Only limited partial dislocation nucleation was observed for the investigated high-angle grain boundary. The peculiarities of nucleation of embryonic dislocations and their emission from tilt grain boundaries are discussed. © 2010 Acta Materialia Inc. Published by Elsevier Ltd.},
 file = {/home/aselimov/docs/My Library/files/839/Bachurin, Weygand, Gumbsch - 2010 - Dislocation-grain boundary interaction in 〈1 1 1〉 textured thin metal films(2).pdf},
 issn = {13596454},
 keyword = {Dislocation, Dislocations, Grain boundaries, Grain Boundary, Molecular dynamics, Plasticity, Thin films, Ti-6Al-4V},
 pmid = {281318900002}
}

@article{banerjee_influence_2001,
 author = {Banerjee, Rajarshi and Fain, Jason P. and Anderson, Peter M. and Fraser, Hamish L.},
 title = {Influence of crystallographic orientation and layer thickness on fracture behavior of {Ni}/{Ni3Al} multilayered thin films},
 journal = {Scripta Materialia},
 year = {2001},
 number = {11},
 volume = {44},
 pages = {2629--2633},
 doi = {10.1016/S1359-6462(01)00966-6},
 abstract = {Ni/Ni3Al multilayers have been deposited epitaxially and non-epitaxially by UHV magnetron sputtering on 〈001〉 NaCl substrates. Two interfacial orientations were achieved: \{001\} Ni // \{001\} Ni3Al, 〈100〉 Ni // 〈100〉 Ni3Al and \{111\} Ni // \{111\} Ni3Al, 〈110〉 Ni // 〈110〉 Ni3Al. Under in-plane tensile loading, 〈001〉 oriented multilayers exhibit ductile fracture surface features but 〈111〉 oriented multilayers of the same layer thickness are predominantly brittle. For each orientation, the fracture surface features from 20 nm thick Ni and Ni3Al layers appear to be as ductile or more ductile than those from 120 nm thick layers, but the plastic deformation appears to be more localized. © 2001 Acta Materialia Inc.},
 file = {/home/aselimov/docs/My Library/files/852/Influence of crystallographic orientation and layer thickness on fracture behavior of Ni-Ni3Al films.pdf},
 issn = {13596462}
}

@article{banerjee_perspectives_2013,
 author = {Banerjee, Dipankar and Williams, J. C.},
 title = {Perspectives on titanium science and technology},
 journal = {Acta Materialia},
 year = {2013},
 number = {3},
 volume = {61},
 pages = {844--879},
 url = {http://dx.doi.org/10.1016/j.actamat.2012.10.043},
 doi = {10.1016/j.actamat.2012.10.043},
 abstract = {The basic framework and - conceptual understanding of the metallurgy of Ti alloys is strong and this has enabled the use of titanium and its alloys in safety-critical structures such as those in aircraft and aircraft engines. Nevertheless, a focus on cost-effectiveness and the compression of product development time by effectively integrating design with manufacturing in these applications, as well as those emerging in bioengineering, has driven research in recent decades towards a greater predictive capability through the use of computational materials engineering tools. Therefore this paper focuses on the complexity and variety of fundamental phenomena in this material system with a focus on phase transformations and mechanical behaviour in order to delineate the challenges that lie ahead in achieving these goals. © 2012 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.},
 file = {/home/aselimov/docs/My Library/files/865/Banerjee, Williams - 2013 - Perspectives on titanium science and technology.pdf},
 issn = {13596454},
 keyword = {Mechanical behaviour, Phase transformations, Titanium alloys}
}

@article{baskes_modified_1994,
 author = {Baskes, M I and Johnson, R A},
 title = {Modified embedded atom potentials for {HCP} metals},
 journal = {Modelling and Simulation in Materials Science and Engineering},
 year = {1994},
 number = {1},
 volume = {2},
 pages = {147--163},
 url = {http://stacks.iop.org/0965-0393/2/i=1/a=011?key=crossref.768f023be3e16c6dc0487e26ada1743b},
 doi = {10.1088/0965-0393/2/1/011},
 abstract = {Analytic modified embedded atom method (AMEAM) type many-body potentials have been constructed for ten hcp metals: Be, Co, Hf, Mg, Re, Ru, Sc, Ti, Y and Zr. The potentials are parametrized using analytic functions and fitted to the cohesive energy, unrelaxed vacancy formation energy, five independent second-order elastic constants and two equilibrium conditions. Hence, each of the constructed potentials represents a stable hexagonal close-packed lattice with a particular non-ideal c/a ratio. In order to treat the metals with negative Cauchy pressure, a modified term has been added to the total energy. For all the metals considered, the hcp lattice is shown to be energetically most stable when compared with the fcc and bcc structure and the hcp lattice with ideal c/a. The activation energy for vacancy diffusion in these metals has been calculated. They agree well with experimental data available and those calculated by other authors for both monovacancy and divacancy mechanisms and the most possible diffusion paths are predicted. Stacking fault and surface energy have also been calculated and their values are lower than typical experimental data. Finally, the self-interstitial atom (SIA) formation energy and volume have been evaluated for eight possible sites. This calculation suggests that the basal split or crowdion is the most stable configuration for metals with a rather large deviation from the ideal c/a value and the non-basal dumbbell (C or S) is the most stable configuration for metals with c/a near ideal. The relationship between SIA formation energy and melting temperature roughly obeys a linear relation for most metals except Ru and Re.},
 file = {/home/aselimov/docs/My Library/files/841/Baskes, Johnson - 1994 - Modified embedded atom potentials for HCP metals(2).pdf},
 issn = {0965-0393},
 pmid = {16413049}
}

@article{batfalsky1984helium,
 author = {Batfalsky, Peter and Schroeder, Herbert},
 title = {Helium bubble microstructure in stainless steel implanted under various conditions},
 journal = {Journal of Nuclear Materials},
 publisher = {Elsevier},
 year = {1984},
 number = {1-3},
 volume = {123},
 pages = {1475--1480}
}

@article{belytschko_review_2009,
 author = {Belytschko, Ted and Gracie, Robert and Ventura, Giulio},
 title = {A review of extended/generalized finite element methods for material modeling},
 journal = {Modelling Simul. Mater. Sci. Eng. Mater. Sci. Eng},
 year = {2009},
 number = {17},
 volume = {17},
 pages = {43001--24},
 url = {http://iopscience.iop.org/0965-0393/17/4/043001},
 doi = {10.1088/0965-0393/17/4/043001},
 abstract = {The extended and generalized finite element methods are reviewed with an emphasis on their applications to problems in material science: (1) fracture, (2) dislocations, (3) grain boundaries and (4) phases interfaces. These methods facilitate the modeling of complicated geometries and the evolution of such geometries, particularly when combined with level set methods, as for example in the simulation growing cracks or moving phase interfaces. The state of the art for these problems is described along with the history of developments.},
 file = {/home/aselimov/docs/My Library/files/849/Belytschko, Gracie, Ventura - 2009 - A review of extendedgeneralized finite element methods for material modeling(2).pdf},
 issn = {0965-0393},
 pmid = {266373500001}
}

@article{berendsen_molecular_1984,
 author = {Berendsen, H. J. C. and Postma, J. P. M. and van Gunsteren, W. F. and DiNola, A. and Haak, J. R.},
 title = {Molecular dynamics with coupling to an external bath},
 journal = {The Journal of Chemical Physics},
 year = {1984},
 month = {October},
 number = {8},
 volume = {81},
 pages = {3684--3690},
 url = {http://aip.scitation.org/doi/10.1063/1.448118},
 doi = {10.1063/1.448118},
 abstract = {In molecular dynamics (MD) simulations the need often arises to maintain such parameters as temperature or pressure rather than energy and volume, or to impose gradients for studying transport properties in nonequilibrium MD. A method is described to realize coupling to an external bath with constant temperature or pressure with adjustable time constants for the coupling. The method is easily extendable to other variables and to gradients, and can be applied also to polyatomic molecules involving internal constraints. The influence of coupling time constants on dynamical variables is evaluated. A leap‐frog algorithm is presented for the general case involving constraints with coupling to both a constant temperature and a constant pressure bath.},
 file = {/home/aselimov/docs/My Library/files/864/Berendsen et al. - 1984 - Molecular dynamics with coupling to an external bath.pdf},
 issn = {0021-9606},
 keyword = {COMPUTERIZED SIMULATION, LIQUIDS, MOLECULAR DYNAMICS CALCULATION, STRUCTURE FACTORS, TRANSPORT THEORY}
}

@article{beyerlein_defect-interface_2015,
 author = {Beyerlein, I. J. and Demkowicz, M. J. and Misra, A. and Uberuaga, B. P.},
 title = {Defect-interface interactions},
 journal = {Progress in Materials Science},
 year = {2015},
 volume = {74},
 pages = {125--210},
 url = {http://dx.doi.org/10.1016/j.pmatsci.2015.02.001},
 doi = {10.1016/j.pmatsci.2015.02.001},
 abstract = {Abstract Nanostructured materials contain an extremely high density of interfaces. The properties of these materials when exposed to extreme conditions of radiation dose, stress, deformation, or temperature are largely determined by defect-interface interactions. In this article, we review the present understanding of defect-interface interactions in single-phase and two-phase metal and oxide nanocomposites, emphasizing how interface structure affects interactions with point, line, and planar defects. We also review the crystallographic, chemical, and morphological stability of interfaces in different extreme environments: irradiation and mechanical deformation. Our current understanding of these topics prompts new questions that will maintain interfaces in crystalline solids at the frontier of materials research for years to come.},
 file = {/home/aselimov/docs/My Library/files/872/Beyerlein et al. - 2015 - Defect-interface interactions.pdf},
 issn = {00796425},
 keyword = {Dislocations, Atomic scale modeling, Impurities, Interfaces, Interstitials, Mechanisms, Nanocomposites, Nanostructures, Stability, Twins, Vacancies}
}

@article{beyerlein_emergence_2014,
 author = {Beyerlein, I. J. and Mayeur, J. R. and Zheng, S. and Mara, N. A. and Wang, J. and Misra, A.},
 title = {Emergence of stable interfaces under extreme plastic deformation},
 journal = {Proceedings of the National Academy of Sciences},
 year = {2014},
 number = {12},
 volume = {111},
 pages = {4386--4390},
 url = {http://www.pnas.org/cgi/doi/10.1073/pnas.1319436111},
 doi = {10.1073/pnas.1319436111},
 abstract = {Atomically ordered bimetal interfaces typically develop in near-equilibrium epitaxial growth (bottom-up processing) of nanolayered composite films and have been considered responsible for a number of intriguing material properties. Here, we discover that interfaces of such atomic level order can also emerge ubiquitously in large-scale layered nanocomposites fabricated by extreme strain (top down) processing. This is a counterintuitive result, which we propose occurs because extreme plastic straining creates new interfaces separated by single crystal layers of nanometer thickness. On this basis, with atomic-scale modeling and crystal plasticity theory, we prove that the preferred bimetal interface arising from extreme strains corresponds to a unique stable state, which can be predicted by two controlling stability conditions. As another testament to its stability, we provide experimental evidence showing that this interface maintains its integrity in further straining (strains {\textbackslash}textgreater 12), elevated temperatures ({\textbackslash}textgreater 0.45 Tm of a constituent), and irradiation (light ion). These results open a new frontier in the fabrication of stable nanomaterials with severe plastic deformation techniques.},
 file = {/home/aselimov/docs/My Library/files/877/Emergence of stable interfaces under extreme plastic deformation.pdf},
 issn = {0027-8424},
 pmid = {24616514}
}

@article{bhattacharyya_transmission_2009,
 author = {Bhattacharyya, D. and Mara, N.A. and Dickerson, P. and Hoagland, R.G. and Misra, A.},
 title = {Transmission electron microscopy study of the deformation behavior of Cu/Nb and Cu/Ni nanoscale multilayers during nanoindentation},
 journal = {Journal of Materials Research},
 year = {2009},
 month = {March},
 number = {03},
 volume = {24},
 pages = {1291--1302},
 url = {http://www.journals.cambridge.org/abstract_S0884291400032052},
 doi = {10.1557/jmr.2009.0147},
 abstract = {\textlessdiv class="abstract" data-abstract-type="normal"\textgreater\textlessp\textgreaterNanoscale metallic multilayers, comprising two sets of materials—Cu/Nb and Cu/Ni—were deposited in two different layer thicknesses—nominally 20 and 5 nm. These multilayer samples were indented, and the microstructural changes under the indent tips were studied by extracting samples from underneath the indents using the focused ion beam (FIB) technique and by examining them under a transmission electron microscope (TEM). The deformation behavior underneath the indents, manifested in the bending of layers, reduction in layer thickness, shear band formation, dislocation crossing of interfaces, and orientation change of grains, has been characterized and interpreted in terms of the known deformation mechanisms of nanoscale multilayers.\textless/p\textgreater\textless/div\textgreater},
 file = {/home/aselimov/docs/My Library/files/867/Bhattacharyya et al. - 2009 - Transmission electron microscopy study of the deformation behavior of CuNb and CuNi nanoscale multilayers.pdf},
 issn = {0884-2914},
 keyword = {Nanoindentation, Nanoscale, Transmission electron microscopy (TEM)}
}

@article{bitzek_atomistic_2008,
 author = {BITZEK, Erik and GUMBSCH, Peter},
 title = {Atomistic {Simulations} of {Dislocation} - {Crack} {Interaction}},
 journal = {Journal of Solid Mechanics and Materials Engineering},
 year = {2008},
 number = {10},
 volume = {2},
 pages = {1348--1359},
 url = {http://joi.jlc.jst.go.jp/JST.JSTAGE/jmmp/2.1348?from=CrossRef},
 doi = {10.1299/jmmp.2.1348},
 file = {/home/aselimov/docs/My Library/files/703/BITZEK, GUMBSCH - 2008 - Atomistic Simulations of Dislocation - Crack Interaction(2).pdf},
 issn = {1880-9871},
 keyword = {fracture, dislocations, atomistic simulation}
}

@article{bitzek_atomistic_2015,
 author = {Bitzek, Erik and Kermode, James R. and Gumbsch, Peter},
 title = {Atomistic aspects of fracture},
 journal = {International Journal of Fracture},
 year = {2015},
 number = {1-2},
 volume = {191},
 pages = {13--30},
 doi = {10.1007/s10704-015-9988-2},
 abstract = {Any fracture process ultimately involves the rupture of atomic bonds. Processes at the atomic scale therefore critically influence the toughness and overall fracture behavior of materials. Atomistic simulation methods including large-scale molecular dynamics simulations with classical potentials, density functional theory calculations and advanced concurrent multiscale methods have led to new insights e.g. on the role of bond trapping, dynamic effects, crack-microstructure interactions and chemical aspects on the fracture toughness and crack propagation patterns in metals and ceramics. This review focuses on atomistic aspects of fracture in crystalline materials where significant advances have been achieved over the last ten years and provides an outlook on future perspectives for atomistic modelling of fracture.},
 file = {/home/aselimov/docs/My Library/files/850/Bitzek, Kermode, Gumbsch - 2015 - Atomistic aspects of fracture(2).pdf},
 issn = {15732673},
 keyword = {Atomistic simulations, Bond trapping, DFT, Fracture, Grain boundary, MD, Stress-corrosion cracking}
}

@article{bitzek_mechanisms_2013,
 author = {Bitzek, Erik and Gumbsch, Peter},
 title = {Mechanisms of dislocation multiplication at crack tips},
 journal = {Acta Materialia},
 year = {2013},
 number = {4},
 volume = {61},
 pages = {1394--1403},
 url = {http://dx.doi.org/10.1016/j.actamat.2012.11.016},
 doi = {10.1016/j.actamat.2012.11.016},
 abstract = {Whether a stressed material fractures by brittle cleavage or ductile rupture is determined by its ability to convert elastic strain energy to plastic deformation through the generation and motion of dislocations. Although it is known that pre-existing dislocations play a crucial role in crack tip plasticity, the involved mechanisms are unclear. Here it is demonstrated by atomistic simulations that individual pre-existing dislocations may lead to the generation of large numbers of dislocations at the crack tip. The newly generated dislocations are usually of different types. The processes involved are fundamentally different for stationary cracks and propagating cracks. Whereas local crack front reorientation plays an important role in propagating cracks, the multiplication mechanism at stationary cracks is connected with cross-slip in the highly inhomogeneous stress field of the crack. Analysis of the forces acting on the dislocations allows to determine which dislocations multiply and the slip systems they activate. These results provide the necessary physical link between pre-existing dislocations and the generation of dislocations at crack tips. © 2012 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.},
 file = {/home/aselimov/docs/My Library/files/714/Bitzek, Gumbsch - 2013 - Mechanisms of dislocation multiplication at crack tips(2).pdf},
 issn = {13596454},
 keyword = {Dislocations, Atomistic simulations, Fracture, Brittle-to-ductile transition, Crack-dislocation interaction}
}

@article{bitzek_structural_2006,
 author = {Bitzek, Erik and Koskinen, Pekka and Gähler, Franz and Moseler, Michael and Gumbsch, Peter},
 title = {Structural {Relaxation} {Made} {Simple}},
 journal = {Physical Review Letters},
 year = {2006},
 month = {October},
 number = {17},
 volume = {97},
 pages = {170201},
 url = {https://link.aps.org/doi/10.1103/PhysRevLett.97.170201},
 doi = {10.1103/PhysRevLett.97.170201},
 file = {/home/aselimov/docs/My Library/files/836/Bitzek et al. - 2006 - Structural Relaxation Made Simple.pdf},
 issn = {0031-9007}
}

@article{bollmann_basic_1972,
 author = {Bollmann, W.},
 title = {The basic concepts of the 0-lattice theory},
 journal = {Surface Science},
 year = {1972},
 number = {C},
 volume = {31},
 pages = {1--11},
 doi = {10.1016/0039-6028(72)90250-6},
 abstract = {The 0-lattice theory is a geometrical approach to the structure of crystalline interfaces. The quantitative evaluation of the theory and its application to specific problems needs a certain amount of linear algebra. In this paper the concepts of the theory are discussed as far as possible in non-mathematical terms in order to promote general understanding of the basis and of the field of application of the theory. © 1972.},
 file = {/home/aselimov/docs/My Library/files/848/Bollmann - 1972 - The basic concepts of the 0-lattice theory.pdf},
 issn = {00396028}
}

@article{britton_mechanistic_2015,
 author = {Britton, TB and Dunne, FPE and Wilkinson, AJ},
 title = {On the mechanistic basis of deformation at the microscale in hexagonal close-packed metals {On} the mechanistic basis of deformation at the microscale in hexagonal close-packed metals},
 journal = {Proc. R. Soc. A},
 year = {2015},
 volume = {471},
 pages = {20140881},
 doi = {10.1098/rspa.2014.0881},
 file = {/home/aselimov/docs/My Library/files/628/Britton, Dunne, Wilkinson - 2015 - On the mechanistic basis of deformation at the microscale in hexagonal close-packed metals On the mec.pdf},
 issn = {1364-5021},
 keyword = {energy, HCP, HCP slip, materials science, mechanical engineering, Slip}
}

@article{budarapu_adaptive_2014,
 author = {Budarapu, Pattabhi R. and Gracie, Robert and Bordas, Stéphane P.A. and Rabczuk, Timon},
 title = {An adaptive multiscale method for quasi-static crack growth},
 journal = {Computational Mechanics},
 year = {2014},
 number = {6},
 volume = {53},
 pages = {1129--1148},
 doi = {10.1007/s00466-013-0952-6},
 abstract = {This paper proposes an adaptive atomistic- continuum numerical method for quasi-static crack growth. The phantom node method is used to model the crack in the continuum region and a molecular statics model is used near the crack tip. To ensure self-consistency in the bulk, a virtual atom cluster is used to model the material of the coarse scale. The coupling between the coarse scale and fine scale is realized through ghost atoms. The ghost atom positions are interpolated from the coarse scale solution and enforced as boundary conditions on the fine scale. The fine scale region is adaptively enlarged as the crack propagates and the region behind the crack tip is adaptively coarsened. An energy criterion is used to detect the crack tip location. The triangular lattice in the fine scale region corresponds to the lattice structure of the (111) plane of an FCC crystal. The Lennard-Jones potential is used to model the atom-atom interactions. The method is implemented in two dimensions. The results are compared to pure atomistic simulations; they show excellent agreement. © 2013 Springer-Verlag Berlin Heidelberg.},
 file = {/home/aselimov/docs/My Library/files/610/Budarapu et al. - 2014 - An adaptive multiscale method for quasi-static crack growth(2).pdf},
 issn = {01787675},
 keyword = {Multiscale Model, Adaptivity, Coarsening, Crack Tip, Molecular statics, Multiscale, Phantom node method, Refinement, Virtual atom cluster.}
}

@article{caputo_evaluation_2013,
 author = {Caputo, Francesco and Lamanna, Giuseppe and Soprano, Alessandro},
 title = {On the evaluation of the plastic zone size at the crack tip},
 journal = {Engineering Fracture Mechanics},
 year = {2013},
 volume = {103},
 pages = {162--173},
 url = {http://dx.doi.org/10.1016/j.engfracmech.2012.09.030},
 doi = {10.1016/j.engfracmech.2012.09.030},
 abstract = {The extension of the plastic zone which takes place at the tip of a crack strictly depends on many variables, such as the yield stress of the material, the loading conditions, the crack size and the thickness of the cracked component; an exact analytical solution, such as to evaluate the plastic zone size (PZS) while taking into account all those parameters, is not yet available, mainly because of the difficulties in computing the stress-strain field ahead of the tip of a growing crack.In the present paper, by using a parametric 3D finite element model, the authors show the results obtained from extensive numerical analyses which have been developed first of all with the aim to assess the limits of linear elastic fracture mechanics (LEFM) parameters, when used to describe the stress state at the crack tip of both physically short cracks and long cracks in presence of high loads. Subsequently, the combined influence of the loading conditions, the yield stress of the material, the crack size and the thickness of the component on PZS at the crack tip has been investigated. At the end, an analytical relationship, which links, in a closed form, PZS to all these parameters and which is able to determine the PZS at crack tip of both physically short cracks and long cracks has been proposed. © 2012 Elsevier Ltd.},
 file = {/home/aselimov/docs/My Library/files/723/Caputo, Lamanna, Soprano - 2013 - On the evaluation of the plastic zone size at the crack tip(2).pdf},
 issn = {00137944},
 keyword = {EPFM, Plastic zone size, Short cracks}
}

@article{carlton_what_2007,
 author = {Carlton, C. E. and Ferreira, P. J.},
 title = {What is behind the inverse Hall-Petch effect in nanocrystalline materials?},
 journal = {Acta Materialia},
 year = {2007},
 number = {11},
 volume = {55},
 pages = {3749--3756},
 doi = {10.1016/j.actamat.2007.02.021},
 abstract = {An inverse Hall-Petch effect has been observed for nanocrystalline materials by a large number of researchers. This effect implies that nanocrystalline materials get softer as grain size is reduced below a critical value. Postulated explanations for this behavior include dislocation-based models, diffusion-based models, grain-boundary-shearing models and two-phase-based models. In this paper, we report an explanation for the inverse Hall-Petch effect based on the statistical absorption of dislocations by grain boundaries, showing that the yield strength is dependent on strain rate and temperature and deviates from the Hall-Petch relationship below a critical grain size. © 2007 Acta Materialia Inc.},
 issn = {13596454},
 keyword = {Dislocations, Grain boundaries, Plastic deformation, Nanocrystalline materials, Theory},
 pmid = {247417700012}
}

@article{chen_atomistic_2005,
 author = {Chen, Y. and Lee, J.},
 title = {Atomistic formulation of a multiscale field theory for nano/micro solids},
 journal = {Philosophical Magazine},
 year = {2005},
 number = {33-35},
 volume = {85},
 pages = {4095--4126},
 doi = {10.1080/14786430500362595},
 abstract = {This paper aims to formulate a field theory for the solution of classical N-body problem. In this paper, multi-length and time scale material behaviour is addressed from the viewpoint of lattice dynamics. A multiscale field theory that can work as an alternative to molecular dynamics simulation in studying statistical and finite temperature properties of materials is proposed. Atomistic definitions and the corresponding field representations of fundamental physical quantities are obtained. Time evolutions of conserved physical quantities are derived in terms of atomic variables and are expressed in terms of field quantities. The mathematical representation of conservation laws for a multiscale field theory is formulated.},
 file = {/home/aselimov/docs/My Library/files/686/Chen, Lee - 2005 - Atomistic formulation of a multiscale field theory for nanomicro solids(3).pdf},
 issn = {14786435}
}

@article{cheng_misfit_2007,
 author = {Cheng, Dong and Yan, Zhi Jun and Yan, Li},
 title = {Misfit dislocation network in Cu/Ni multilayers and its behaviors during scratching},
 journal = {Thin Solid Films},
 year = {2007},
 month = {February},
 number = {7-8},
 volume = {515},
 pages = {3698--3703},
 url = {https://www.sciencedirect.com/science/article/pii/S0040609006011011},
 doi = {10.1016/J.TSF.2006.10.001},
 abstract = {The structure and distribution of misfit dislocations at Cu–Ni interfaces and their effects on the tribological behavior of a Ni film are investigated with 3D Molecular Dynamic Simulations. The structure of misfit dislocation network at a Cu–Ni interface differs according to different crystallographic orientations of the film relative to the substrate: a triangle and square type of misfit dislocation network are observed at (111)Cu\textbar\textbar(111)Ni and (001)Cu\textbar\textbar(001)Ni interfaces respectively. They play an important role in the strengthening of Cu/Ni multilayers. During the scratching of a single asperity contact on the Ni film, the misfit dislocation network becomes a significant barrier to the glide dislocations. The plot of friction force vs. normal load when scratching on the Ni film exhibits a horizontal stage, representing the decreasing of the frictional coefficient due to the existence of the misfit dislocations network.},
 file = {Attachment:files/827/Cheng, Yan, Yan - 2007 - Misfit dislocation network in CuNi multilayers and its behaviors during scratching.pdf:application/pdf},
 issn = {0040-6090}
}

@article{chetty_stacking_1997,
 author = {Chetty, N. and Weinert, M.},
 title = {Stacking faults in magnesium},
 journal = {Physical Review B - Condensed Matter and Materials Physics},
 year = {1997},
 number = {17},
 volume = {56},
 pages = {10844--10851},
 doi = {10.1103/PhysRevB.56.10844},
 abstract = {The energetics of various low-energy intrinsic, extrinsic, and twinlike stacking fault configurations in hexagonal-close-packed magnesium are determined from first-principles calculations. To zeroth-order, the ordering of the energies can be understood in terms of the number of fcc-like planes in the sequence of close-packed planes. However, such a simple model fails to quantitatively reproduce the calculated energies of the faults. We propose a model based on a local bond orientation scheme which reproduces the calculated results and is able to accurately predict the energies of arbitrary stacking sequences. This model has only two independent parameters, the energy of the intrinsic I1 stacking fault and the energy difference between hcp and fcc Mg. Both energy and entropy considerations suggest that isolated I1 stacking faults should predominate.},
 file = {/home/aselimov/docs/My Library/files/873/Chetty, Weinert - 1997 - Stacking faults in magnesium(2).pdf},
 issn = {1550235X}
}

@book{cheung_computer_2008,
 author = {Cheung, David L. and Anton, Lucian and Allen, Michael P. and Masters, Andrew J.},
 title = {Computer simulation of liquids and liquid crystals},
 year = {2008},
 number = {1-3},
 volume = {179},
 doi = {10.1016/j.cpc.2008.01.029},
 abstract = {Monte Carlo simulations of a variety of hard-particle liquids and liquid mixtures have been conducted in the isotropic liquid region of the phase diagram. The position- and orientation-dependent pairwise structure is computed and the results are compared with integral equation theories, allowing us to examine the closure relations, and evaluate their accuracy, in a direct fashion. The equation of state and stability properties of these phases relative to the nematic liquid crystal phase, are also discussed. © 2008 Elsevier B.V. All rights reserved.},
 file = {/home/aselimov/docs/My Library/files/677/Cheung et al. - 2008 - Computer simulation of liquids and liquid crystals(2).pdf},
 isbn = {0-19-855645-4},
 keyword = {Bridge function, Integral equations, Molecular simulation, Monte Carlo},
 pmid = {2699618}
}

@techreport{cho2017coupled,
 author = {Cho, Jaehyun},
 title = {Coupled 3d dislocation modeling at nano-and micro-scales},
 institution = {EPFL},
 year = {2017}
}
@techreport{cho2017coupleda,
 author = {Cho, Jaehyun},
 title = {Coupled 3d dislocation modeling at nano-and micro-scales},
 institution = {EPFL},
 year = {2017}
}

@article{cho_toward_2015,
 author = {Cho, Jaehyun and Junge, Till and Molinari, Jean-françois and Anciaux, Guillaume},
 title = {Toward a {3D} coupled atomistic and discrete dislocation dynamics simulation : dislocation core structures and {Peierls} stresses with several character angles in {FCC} aluminum},
 journal = {Advanced Modeling and Simulation in Engineering Sciences},
 year = {2015},
 number = {12},
 volume = {2},
 url = {http://dx.doi.org/10.1186/s40323-015-0028-6},
 doi = {10.1186/s40323-015-0028-6},
 file = {/home/aselimov/docs/My Library/files/874/Cho et al. - 2015 - Toward a 3D coupled atomistic and discrete dislocation dynamics simulation dislocation core structures and Peierls s.pdf},
 issn = {2213-7467},
}

@article{chu2020temperature,
 author = {Chu, Kevin and Foster, Michael E and Sills, Ryan B and Zhou, Xiaowang and Zhu, Ting and McDowell, David L},
 title = {Temperature and composition dependent screw dislocation mobility in austenitic stainless steels from large-scale molecular dynamics},
 journal = {npj Computational Materials},
 publisher = {Nature Publishing Group},
 year = {2020},
 number = {1},
 volume = {6},
 pages = {1--10}
}

@article{chu2021,
 author = {Chu, K. and Diaz, A. and Chen, Y. and Zhu, T. and McDowell, D.L.},
 title = {Multiscale Conurrent Atomistic-Continuum (CAC) modeling of multicomponent alloys},
 journal = {Prep},
 year = {2021}
}

@article{clemens_structure_1999,
 author = {Clemens, B.M. and Kung, H. and Barnett, S.A.},
 title = {Structure and {Strength} of {Multilayers}},
 journal = {MRS Bulletin},
 year = {1999},
 month = {February},
 number = {02},
 volume = {24},
 pages = {20--26},
 url = {http://www.journals.cambridge.org/abstract_S0883769400051502},
 doi = {10.1557/S0883769400051502},
 abstract = {{\textbackslash}textlessp{\textbackslash}textgreater Nanometer-scale multilayer materials exhibit a wealth of interesting structural and mechanical property behaviors. Physical-vapor-deposition technology allows almost unlimited freedom to choose among elements, alloys, and Compounds as layering constituents and to design and produce materials with compositional and structural periodicities approaching the atomic Scale. These materials have tremendous interface area density, approaching 10 {\textbackslash}textlesssup{\textbackslash}textgreater6{\textbackslash}textless/sup{\textbackslash}textgreater mm/mm {\textbackslash}textlesssup{\textbackslash}textgreater3{\textbackslash}textless/sup{\textbackslash}textgreater , so that a Square centimeter area of a one-micron-thick multilayer film with a bilayer period of 2 nm has an interface area of roughly 1,000 cm {\textbackslash}textlesssup{\textbackslash}textgreater2{\textbackslash}textless/sup{\textbackslash}textgreater . Hence interfacial effects can dominate multilayer structure and properties leading to unusually large strains and frequently stabilization of metastable structures. The atomic-scale layering of different materials also leads to very high hardnesses and good wear resistance. These materials are a test-bed for examination of the fundamental aspects of phase stability and for exploring mechanical strengthening mechanisms. They are also becoming increasingly interesting for applications such as hard coatings, x-ray optical elements, in microelectromechanical Systems (MEMS), and in magnetic recording media and heads. {\textbackslash}textless/p{\textbackslash}textgreater},
 file = {/home/aselimov/docs/My Library/files/840/Clemens, Kung, Barnett - 1999 - Structure and Strength of Multilayers.pdf},
 issn = {0883-7694}
}

@book{cui_investigation_2017,
 author = {Cui, Yinan},
 title = {The {Investigation} of {Plastic} {Behavior} by {Discrete} {Dislocation} {Dynamics} for {Single} {Crystal} {Pillar} at {Submicron} {Scale}},
 year = {2017},
 number = {9},
 volume = {53},
 url = {http://link.springer.com/10.1007/978-3-642-35133-4},
 doi = {10.1007/978-3-642-35133-4},
 abstract = {Die vorliegende Arbeit beschaeftigt sich mit der kontrollierten Strukturierung von Oberflaechen mit Kolloid-Monolagen. Verschiedene Aspekte solcher Strukturierungen werden vorgestellt, die sich in zwei Themengebiete untergliedern lassen. Zum einen werden Methoden zur Abscheidung von solchen Kolloidmonolagen auf festen Substraten vorgestellt. Zum anderen werden mehrere Ansaetze zu lithographischen Strukturierungsverfahren basierend auf Kolloidmonolagen vorgestellt. Im ersten Themenblock werden drei Ansaetze zur zweidimensionalen Kristallisation von Kolloiden entwickelt, die sich in der Komplexitaet und Struktur der Monolagen unterscheiden. Ein einfacher Ansatz zur Kristallisation von dichtgepackten, hochgeordneten Monolagen basierend auf einer spontanen Anordnung von Kolloiden an der Luft/Wasser Grenzflaeche wird beschrieben. Der "Monolayer to go" genannte Ansatz ist eine der einfachsten Arten, homogene Monolagen ueber grosse Flaechen und mit hoher Ordnung zu kristallisieren und kann ohne experimentellen Aufwand oder besondere Hilfsmittel einfach im Labor durchgefuehrt werden. Eine Plasmabehandlung solcher Monolagen fuehrt direkt zu nicht-dicht gepackten Monolagen, die im zweiten Teil zur Erzeugung komplexer metallischer Nanopartikel verwendet werden. Schliesslich wird eine Methode entwickelt, um gezielt und reproduzierbar symmetrische, binaere Monolagen herzustellen. Um die Stoechioemetrie der binaeren Kristalle korrekt einzustellen, muss der Bruchteil der Kolloide an der Grenzflaeche fuer alle verschiedenen verwendeten Kolloiddispersionen einzeln aus den Isothermen eines Langmuir-Trogs bestimmt werden. Im zweiten Teil der Arbeit werden lithographische Verfahren basierend auf Kolloid-Monolagen beschrieben. Drei Ansaetze werden verfolgt. Aus homogenen, dicht-gepackten Monolagen werden eingebettete Dreicks-Nanostrukturen mittels eines template-stripping Prozesses hergestellt. Diese koennen als extrem robuste, wiederverwendbare Sensoren und als Substrate zur Strukturierung von Lipid-Doppelschichtmembranen mit Nanometer-Dimensionen verwendet werden. Desweiteren werden zwei Prozesse beschrieben, um aus nicht-dicht gepackten Monolagen dimere Hoernchenstrukturen herzustellen. Solche komplexen metallischen Nanostrukturen zeichnen sich durch interessante optische Eigenschaften aus. Durch den geringen Abstand der zwei Hoernchen in den dimeren Strukturen laesst sich eine Plasmonenhybridisierung beobachten. Letztlich werden Metallkomplrx-haltige Monolagen in einem nicht-konventionellen Verfahren verwendet, um metallische Nanostrukturen durch kontrolliertes Verbrennen der organischen Bestandteile der Kolloide zu erhalten.},
 file = {/home/aselimov/docs/My Library/files/615/Cui - 2017 - The Investigation of Plastic Behavior by Discrete Dislocation Dynamics for Single Crystal Pillar at Submicron Scale.pdf},
 isbn = {978-3-642-35132-7},
 keyword = {icle},
 pmid = {25246403}
}

@article{daw_embedded-atom_1984,
 author = {Daw, Murray S. and Baskes, M. I.},
 title = {Embedded-atom method: {Derivation} and application to impurities, surfaces, and other defects in metals},
 journal = {Physical Review B},
 year = {1984},
 number = {12},
 volume = {29},
 pages = {6443--6453},
 doi = {10.1103/PhysRevB.29.6443},
 abstract = {We develop the embedded-atom method Phys. Rev. Lett. 50 1285 (1983), based on density-functional theory, as a new means of calculating ground-state properties of realistic metal systems. We derive an expression for the total energy of a metal using the embedding energy from which we obtain several ground-state properties, such as the lattice constant, elastic constants, sublimation energy, and vacancy-formation energy. We obtain the embedding energy and accompanying pair potentials semiempirically for Ni and Pd, and use these to treat several problems: surface energy and relaxation of the (100), (110), and (111) faces; properties of H in bulk metal (H migration, binding of H to vacancies, and lattice expansion in the hydride phase); binding site and adsorption energy of hydrogen on (100), (110), and (111) surfaces; and lastly, fracture of Ni and the effects of hydrogen on the fracture. We emphasize problems with hydrogen and with surfaces because none of these can be treated with pair potentials. The agreement with experiment, the applicability to practical problems, and the simplicity of the technique make it an effective tool for atomistic studies of defects in metals.},
 file = {/home/aselimov/docs/My Library/files/708/Daw, Baskes - 1984 - Embedded-atom method Derivation and application to impurities, surfaces, and other defects in metals(4).pdf},
 issn = {01631829},
 pmid = {21688283}
}

@article{dehm_overview_2018,
 author = {Dehm, G. and Jaya, B. N. and Raghavan, R. and Kirchlechner, C.},
 title = {Overview on micro- and nanomechanical testing: {New} insights in interface plasticity and fracture at small length scales},
 journal = {Acta Materialia},
 year = {2018},
 volume = {142},
 pages = {248--282},
 url = {https://doi.org/10.1016/j.actamat.2017.06.019},
 doi = {10.1016/j.actamat.2017.06.019},
 abstract = {Micro- and nanomechanical testing has seen a rapid development over the last decade with miniaturized test rigs and MEMS-based devices providing access to the mechanical properties and performance of materials from the micrometer down to the tenths of nanometer length scale. In this overview, we summarize firstly the different testing concepts with excursions into recent imaging and diffraction developments, which turn micro- and nanomechanical testing into “quantitative mechanical microscopy” by resolving the underlying material physics and simultaneously providing mechanical properties. A special focus is laid on the pitfalls of micro-compression testing with its stringent boundary conditions often hampering reliable experiments. Additionally, the challenges of instrumented micro- and nanomechanical testing at elevated temperature are summarized. From the wide variety of research topics employing micro- and nanomechanical testing of materials we focus here on miniaturized samples and test rigs and provide three examples to elucidate the state-of-the-art of the field: (i) probing the “strength” of individual grain boundaries in metals, (ii) temperature dependent deformation mechanisms in metallic nanolayered and -alloyed structures, and (iii) the prospects and challenges of fracture studies employing micro- and nanomechanical testing of brittle and ductile monolithic materials, and materials containing interfaces. Proven concepts and new endeavors are reported for the topics discussed in this overview.},
 file = {/home/aselimov/docs/My Library/files/621/Overview on micro- and nanomechanical testing.pdf},
 issn = {13596454},
 keyword = {Fracture, Grain boundary, Multilayer, Small scale testing, Temperature, Toughness},
 pmid = {25246403}
}

@article{deng_coarse-grained_2013,
 author = {Deng, Qian and Chen, Youping},
 title = {A {Coarse}-grained atomistic method for {3D} dynamic fracture simulation},
 journal = {International Journal for Multiscale Computational Engineering},
 year = {2013},
 number = {3},
 volume = {11},
 pages = {227--237},
 doi = {10.1615/IntJMultCompEng.2013005442},
 abstract = {In this work, a new coarse-grained (CG) method is presented. The new method combines an atomistic formulation of balance equations and a modified finite element method. Through three numerical examples, we demonstrate that the new method is able to predict the dynamic fracture behavior of crystalline materials. First, the stress wave propagation is simulated through the CG method and the stress response is found to be identical with that of the corresponding atomic-level molecular dynamics (MD) simulation. Then, three-dimensional dynamic crack propagation in a notched thin film under tension is simulated through both CG and MD simulations. Simulation results show that not only the crack propagation paths but also the local and average stresses calculated from CG simulations agree well with that from the corresponding MD simulations. Most importantly, although a large number of degrees of freedoms have been eliminated, the CG models capture the atomic-scale phenomenon such as the dislocation emission and migration accompanied with the crack propagation. In addition, through CG simulations of a plate under impact lading, the CG method is demonstrated to be able to simulate both stable crack propagation problems and the fragmentations of materials under high-strain-rate dynamic loading.},
 file = {/home/aselimov/docs/My Library/files/682/Deng, Chen - 2013 - A Coarse-grained atomistic method for 3D dynamic fracture simulation(2).pdf},
 issn = {1543-1649},
 keyword = {molecular dynamics, 3D fracture, CAC, coarse grained simulation, dynamic fracture}
}

@article{diard_evaluation_2005,
 author = {Diard, O. and Leclercq, S. and Rousselier, G. and Cailletaud, G.},
 title = {Evaluation of finite element based analysis of {3D} multicrystalline aggregates plasticity {Application} to crystal plasticity model identification and the study of stress and strain fields near grain boundaries},
 journal = {International Journal of Plasticity},
 year = {2005},
 number = {4},
 volume = {21},
 pages = {691--722},
 doi = {10.1016/j.ijplas.2004.05.017},
 abstract = {Plastic heterogeneities of hexagonal close-packed (HCP) materials are numerically investigated at the grain level. Intensive use of parallel Finite Elements computations enables us to study micro-plasticity of realistic 3D multicrystalline aggregates, including, macroscopic mechanical responses but also average responses in each grain and particularly local stress and strain fields. This paper focuses on three applications of this simulation method. The first part of this paper is devoted to a fine analysis of micro-plasticity of HCP materials. Intergranular but also intragranular stress and strain heterogeneities are described and micro-plasticity patterns are displayed throughout the 3D microstructures. A special attention is paid to the sensitivity of simulations with respect to the mesh discretization, the element interpolation and the geometrical representation of grain boundaries, in terms of macroscopic and local responses. Later, a simplified homogenization method is evaluated, regarding results of the first part. Afterwards, this method is applied with a zirconium alloy to identify a set of coefficients for a single crystal plasticity model. Finally, in order to provide critical information for intergranular damage phenomena (reported in literature for zirconium alloys), the third part provides a statistical analysis of over-stresses at grain boundaries. © 2004 Elsevier Ltd. All rights reserved.},
 file = {/home/aselimov/docs/My Library/files/870/Diard et al. - 2005 - Evaluation of finite element based analysis of 3D multicrystalline aggregates plasticity Application to crystal(2).pdf},
 issn = {07496419},
 keyword = {Grain boundaries, Crystal plasticity, Finite element, HCP materials, Heterogeneities}
}

@unpublished{dikken:hal-01572509,
 author = {Dikken, R and Khajeh Salehani, Mohsen},
 title = {Edge dislocation impingement on interfaces between dissimilar metals},
 year = {2017},
 month = {August},
 url = {https://hal.archives-ouvertes.fr/hal-01572509},
 hal_id = {hal-01572509},
 hal_version = {v1},
 keyword = {defects, interfaces, molecular dynamics, dislocation impingement, aluminum, nickel},
 pdf = {https://hal.archives-ouvertes.fr/hal-01572509/file/impingAlNi.pdf}
}

@article{ding_modeling_2015,
 author = {Ding, Zhigang and Li, Shuang and Liu, Wei and Zhao, Yonghao},
 title = {Modeling of {Stacking} {Fault} {Energy} in {Hexagonal}-{Close}-{Packed} {Metals}},
 journal = {Advances in Materials Science and Engineering},
 year = {2015},
 number = {May},
 volume = {2015},
 doi = {10.1155/2015/639519},
 abstract = {The deformation of metals is known to be largely affected by their stacking fault energies (SFEs). In the review, we examine the theoretical background of three normally used models, supercell model, Ising model, and bond orientation model, for the calculation of SFE of hexagonal-close-packed (hcp) metals and their alloys. To predict the nature of slip in nanocrystalline metals, we further review the generalized stacking fault (GSF) energy curves in hcp metals and alloys. We conclude by discussing the outstanding challenges in the modeling of SFE and GSF energy for studying the mechanical properties of metals.},
 file = {/home/aselimov/docs/My Library/files/631/Ding et al. - 2015 - Modeling of Stacking Fault Energy in Hexagonal-Close-Packed Metals.pdf},
 issn = {16878442},
 keyword = {Stacking fault energy, hcp, SFE}
}

@book{dove1993introduction,
 author = {Dove, Martin T and Dove, Martin T},
 title = {Introduction to lattice dynamics},
 publisher = {Cambridge university press},
 year = {1993},
 number = {4}
}

@book{eringen1999microcontinuum,
 author = {Eringen, A},
 title = {Microcontinuum Field Theories : I. Foundations and Solids},
 publisher = {Springer New York},
 year = {1999},
 address = {New York, NY},
 isbn = {9781461205555}
}

@article{eslami_study_2013,
 author = {Eslami, A H and Zebarjad, S Mojtaba and Moshksar, M M},
 title = {Study on mechanical and magnetic properties of {Cu}/{Ni} multilayer composite fabricated by accumulative roll bonding process},
 journal = {Materials Science and Technology},
 year = {2013},
 month = {August},
 number = {8},
 volume = {29},
 pages = {1000--1005},
 url = {http://www.tandfonline.com/doi/full/10.1179/1743284713Y.0000000246},
 doi = {10.1179/1743284713Y.0000000246},
 abstract = {AbstractAccumulative roll bonding (ARB) has been used as a severe plastic deformation process for the production of high strength materials. In the current research, multilayered copper/nickel composites were produced by the ARB process using nickel and copper strips. Tensile and magnetic behaviours of produced composites were investigated by universal tensile machine and magnetic device detector (vibrating sample magnetometers) respectively. It was observed that as passes of ARB proceeded, nickel layers were necked and fractured gradually. After five roll bonding passes, a multilayer copper/nickel composite including homogeneously distributed fragmented nickel layers in the copper matrix was achieved. Magnetic and mechanical properties of these composites were studied within different stages of the ARB process. With increasing strain during ARB passes, strength, microhardness and elongation of these composites increased. Enhancement of the strength is higher than the tensile strength of copper/copper mul...},
 file = {/home/aselimov/docs/My Library/files/721/Eslami, Zebarjad, Moshksar - 2013 - Study on mechanical and magnetic properties of CuNi multilayer composite fabricated by accumulative.pdf},
 issn = {0267-0836},
 keyword = {Accumulative roll bonding, Copper/nickel composites, Layered structures, Magnetic and mechanical properties}
}

@article{fan_simulation_2017,
 author = {Fan, Jinghong and Stewart, Ross and Xu, Taolong},
 title = {Simulation accuracy of crack-tip parameters with extended {GP} methods},
 journal = {Engineering Fracture Mechanics},
 year = {2017},
 volume = {170},
 pages = {87--106},
 url = {http://dx.doi.org/10.1016/j.engfracmech.2016.11.035},
 doi = {10.1016/j.engfracmech.2016.11.035},
 abstract = {The success in using the GP, short for the generalized particle dynamics method (Fan, 2009), with the cohesive zone method (CZM) to bridge crack propagation at the atomistic and mesoscopic scale (Xu et al., 2016) brings more attention to its central issue: simulation accuracy of crack-tip parameters. This issue is addressed in this work by an extension of the GP method in which finite element (FE) nodes are connected with the outermost particles, thus it can reduce artificial effects on the most interesting atomic regions to obtain accurate crack-tip parameters. The accuracy of the XGP, short for this extended GP method, is confirmed by comparisons of simulation results with classic analytical solutions of an edge-crack and a central cylindrical hole in a two dimensional plate. After developing a series of models from 60 nm to 5 μm, used in an asymptotic analysis for model size effect, it is applied to the atomistic crack-tip simulation of a Mode-I edge crack of iron under plane strain condition. Results show that there exists a problem-dependent critical model size, LCR, above which may not be necessary under a given error tolerance; below which the simulation result is inaccurate in underestimating crack-tip displacement, the range of the traction-separation (TS) curve and the critical energy release rate GIC and overestimating the initiation strain for the crack-tip BCC to FCC phase transformation.},
 file = {/home/aselimov/docs/My Library/files/664/Fan, Stewart, Xu - 2017 - Simulation accuracy of crack-tip parameters with extended GP methods(2).pdf},
 issn = {00137944},
 keyword = {Asymptotic analysis, BCC-Fe, Model size effects, Simulation accuracy, TS curve}
}

@article{farkas2021deformation,
 author = {Farkas, Diana},
 title = {Deformation behavior of a model high entropy alloy from atomistic simulations},
 journal = {Materials Science and Engineering: A},
 publisher = {Elsevier},
 year = {2021},
 pages = {141124}
}

@article{farkas_interatomic_1994,
 author = {Farkas, Diana},
 title = {Interatomic potentials for {Ti}-{Al} with and without angular forces},
 journal = {Modelling and Simulation in Materials Science and Engineering},
 year = {1994},
 volume = {2},
 pages = {975},
 file = {/home/aselimov/docs/My Library/files/881/Farkas, Jones - 1994 - Modelling and Simulation in Materials Science and Engineering Related content Interatomic potentials for Ti-Al(2).pdf}
}

@article{farkas_modelling_1994,
 author = {Farkas, Diana and Jones, Chris},
 title = {Modelling and {Simulation} in {Materials} {Science} and {Engineering} {Related} content {Interatomic} potentials for {Ti}-{Al} with and without angular forces {Interatomic} potentials for {Ti}-{AI} with and without angular forces},
 year = {1994},
 file = {/home/aselimov/docs/My Library/files/643/Farkas, Jones - 1994 - Modelling and Simulation in Materials Science and Engineering Related content Interatomic potentials for Ti-Al(2).pdf}
}

@article{feyel_multilevel_2003,
 author = {Feyel, Fr??d??ric},
 title = {A multilevel finite element method ({FE2}) to describe the response of highly non-linear structures using generalized continua},
 journal = {Computer Methods in Applied Mechanics and Engineering},
 year = {2003},
 number = {28-30},
 volume = {192},
 pages = {3233--3244},
 doi = {10.1016/S0045-7825(03)00348-7},
 abstract = {A general method called FE2 has been introduced which consists in describing the behavior of heterogeneous structures using a multiscale finite element model. Instead of trying to build differential systems to establish a stress-strain relation at the macroscale, a finite element computation of the representative volume element is carried out simultaneously. Doing so does not require any constitutive equations to be written at the macroscopic scale: all non-linearities come directly from the microscale. In this paper, we describe how this method can be used in the context of generalized continua. For such continua, constitutive equations are very difficult to write, and a new set of material is difficult to fit to experimental data. The use of FE2 models bypasses this problem because no analytical equation is needed at the macroscale. An academic application is presented to show that generalized continua are necessary when the size of the heterogeneities increases, and that FE2 models behave well compared to a reference solution. ?? 2003 Elsevier B.V. All rights reserved.},
 file = {/home/aselimov/docs/My Library/files/835/Feyel - 2003 - A multilevel finite element method (FE2) to describe the response of highly non-linear structures using generalized co(2).pdf},
 issn = {00457825}
}

@article{fleischer_cross_1959,
 author = {Fleischer, R.L.},
 title = {Cross slip of extended dislocations},
 journal = {Acta Metallurgica},
 year = {1959},
 month = {February},
 number = {2},
 volume = {7},
 pages = {134--135},
 url = {https://www.sciencedirect.com/science/article/pii/0001616059901221},
 doi = {10.1016/0001-6160(59)90122-1},
 file = {/home/aselimov/docs/My Library/files/712/Fleischer - 1959 - Cross slip of extended dislocations.pdf},
 issn = {0001-6160}
}

@article{foiles_embedded-atom-method_1986,
 author = {Foiles, S. M. and Baskes, M. I. and Daw, M. S.},
 title = {Embedded-atom-method functions for the fcc metals {Cu}, {Ag}, {Au}, {Ni}, {Pd}, {Pt}, and their alloys},
 journal = {Physical Review B},
 year = {1986},
 number = {12},
 volume = {33},
 pages = {7983--7991},
 doi = {10.1103/PhysRevB.33.7983},
 abstract = {A consistent set of embedding functions and pair interactions for use with the embedded-atom method [M.S. Daw and M. I. Baskes, Phys. Rev. B 29, 6443 (1984)] have been determined empirically to describe the fcc metals Cu, Ag, Au, Ni, Pd, and Pt as well as alloys containing these metals. The functions are determined empirically by fitting to the sublimation energy, equilibrium lattice constant, elastic constants, and vacancy-formation energies of the pure metals and the heats of solution of the binary alloys. The validity of the functions is tested by computing a wide range of properties: the formation volume and migration energy of vacancies, the formation energy, formation volume, and migration energy of divacancies and self-interstitials, the surface energy and geometries of the low-index surfaces of the pure metals, and the segregation energy of substitutional impurities to (100) surfaces.},
 file = {/home/aselimov/docs/My Library/files/715/Foiles, Baskes, Daw - 1986 - Embedded-atom-method functions for the fcc metals Cu, Ag, Au, Ni, Pd, Pt, and their alloys.pdf},
 issn = {01631829},
 pmid = {9938188}
}

@article{fu2018effect,
 author = {Fu, Zhengrong and Zhang, Zheng and Meng, Lifang and Shu, Baipo and Zhu, Yuntian and Zhu, Xinkun},
 title = {Effect of strain rate on mechanical properties of Cu/Ni multilayered composites processed by electrodeposition},
 journal = {Materials Science and Engineering: A},
 publisher = {Elsevier},
 year = {2018},
 volume = {726},
 pages = {154--159}
}

@article{fu_molecular_2016,
 author = {Fu, Tao and Peng, Xianghe and Chen, Xiang and Weng, Shayuan and Hu, Ning and Li, Qibin and Wang, Zhongchang},
 title = {Molecular dynamics simulation of nanoindentation on Cu/Ni nanotwinned multilayer films using a spherical indenter},
 journal = {Scientific Reports},
 year = {2016},
 month = {December},
 number = {1},
 volume = {6},
 pages = {35665},
 url = {http://www.nature.com/articles/srep35665},
 doi = {10.1038/srep35665},
 abstract = {Molecular dynamics simulation of nanoindentation on Cu/Ni nanotwinned multilayer films using a spherical indenter},
 file = {/home/aselimov/docs/My Library/files/833/Fu et al. - 2016 - Molecular dynamics simulation of nanoindentation on CuNi nanotwinned multilayer films using a spherical indenter(2).pdf},
 issn = {2045-2322},
 keyword = {Atomic and molecular physics, dimensional materials, Two}
}

@article{furuhara_computer_1991,
 author = {Furuhara, T. and Aaronson, H. I.},
 title = {Computer modeling of partially coherent {B}.{C}.{C}.:{H}.{C}.{P}. boundaries},
 journal = {Acta Metallurgica Et Materialia},
 year = {1991},
 number = {11},
 volume = {39},
 pages = {2857--2872},
 doi = {10.1016/0956-7151(91)90103-8},
 abstract = {A modeling study of partially coherent b.c.c.:h.c.p. coherent boundaries, using a computer-aided graphical technique, has been made for parallel pairs of low index planes in the presence of specified lattice orientation relationships. Three well-known lattice orientation relationships between the b.c.c. and h.c.p. phases, each of which was also slightly perturbed in various ways, were utilized. All of the planar interfaces thus formed which were based upon parallel pairs of low index planes can be described by two arrays of parallel misfit dislocations. The possibility of replacing one array of misfit dislocations with an array of structural ledges was then analyzed. In the presence of near-Burgers orientation relationships, the most probable structural ledges were found to have (1100)h.c.p.//(211)b.c.c. terraces with risers 2, 4 or 6 atomic layers high. This type of structural ledge has a Burgers vector of 1/12[111]b.c.c., which lies in the terrace plane, associated with its riser. Thus it can replace a set of a-type misfit dislocations; hence only a single set of c-type misfit dislocations is now necessary on the terrace of structural ledges. This types of structural ledge was also found to step down along the lattice invariant line in order to accommodate simultaneously the misfit normal to the terrace plane. Further, the possibility of structural ledges with (1101)h.c.p.//(110)b.c.c. terrace was also discerned in the presence of near-Potter orientation relationships. ?? 1991.},
 file = {/home/aselimov/docs/My Library/files/636/Furuhara, Aaronson - 1991 - Computer modeling of partially coherent B.C.C.H.C.P. boundaries.pdf},
 issn = {09567151}
}

@article{furuhara_interphase_1990,
 author = {Furuhara, T. and Lee, H. J. and Menon, E. S.K. and Aaronson, H. I.},
 title = {Interphase boundary structures associated with diffusional phase transformations in {Ti}-base alloys},
 journal = {Metallurgical Transactions A},
 year = {1990},
 number = {6},
 volume = {21},
 pages = {1627--1643},
 doi = {10.1007/BF02672578},
 abstract = {Interphase boundary structures generated during diffusional transformations in Ti-base alloys, especially the proeutectoid α and eutectoid reactions in a β-phase matrix, are reviewed. Partially coherent boundaries are shown to be present whether the orientation relationship between precipitate and matrix phases is rational or irrational. Usually, these structures include both misfit dislocations and growth ledges. However, grain boundary α allotriomorphs (GBA's) do not appear to develop misfit dislocations at partially coherent boundaries. Evidently, these dislocations can be replaced by ledges which provide a strain vector in the plane of the interphase boundary. The bainite reaction in Ti-X alloys produces a mixture of eutectoid α and eutectoid intermetallic compound. Both eutectoid phases are partially coherent with the β matrix, and both grow by means of the ledge mechanism, though unlike pearlite the ledge systems of the two phases are structurally independent. Even after deformation and recrystallization, the boundaries between the eutectoid phases and the β matrix, as well as between these phases, are partially coherent. Titanium and zirconium hydrides have partially coherent interphase boundaries with respect to their β matrix. The recent observation of ledgewise growth of γ TiH with in situ high-resolution transmission electron microscopy (HRTEM) suggests that, repeated suggestions to the contrary, these hydrides do not grow by means of shear transport of Ti atoms at rates paced by hydrogen diffusion. © 1990 The Metallurgical of Society of AIME.},
 file = {/home/aselimov/docs/My Library/files/637/Furuhara et al. - 1990 - Interphase boundary structures associated with diffusional phase transformations in Ti-base alloys.pdf},
 issn = {03602133}
}

@book{gamburg2011theory,
 author = {Gamburg, Yuliy D and Zangari, Giovanni},
 title = {Theory and practice of metal electrodeposition},
 publisher = {Springer Science \& Business Media},
 year = {2011}
}

@article{gang_role_2017,
 author = {Gang, Chen and ChuanJie, Wang and Peng, Zhang},
 title = {The role of interface in uniaxial tensile process of nano-scale bilayer {Cu}/{Ni}},
 journal = {Computational Materials Science},
 year = {2017},
 month = {April},
 volume = {131},
 pages = {21--27},
 url = {https://www.sciencedirect.com/science/article/pii/S0927025617300502},
 doi = {10.1016/j.commatsci.2017.01.036},
 abstract = {Uniaxial tensile processes of nano-scale bilayer Cu/Ni with coherent interface (CI) and semi-coherent interface (SCI) are simulated by molecular dynamics (MD). The results show that in the deformation processes of two kind of Cu/Ni bilayer structures, dislocations nucleate from interface and the leading dislocations slipping cross the interface cause the bilayer structures getting into plastic deformation stage. The SCI leads to the strength and strain rate sensitivity (SRS) depending on the thickness of the nano-scale bilayer Cu/Ni, because of SCI hindering the dislocations slipping. However, due to the weak barriers of CI, the dislocation can cross the interface easily, which cause the independent of strength and SRS values on thickness.},
 file = {/home/aselimov/docs/My Library/files/651/Gang, ChuanJie, Peng - 2017 - The role of interface in uniaxial tensile process of nano-scale bilayer CuNi.pdf},
 issn = {09270256},
 keyword = {Interface, Bilayer, Molecular dynamic, Nano-scale, Plastic}
}

@article{glaessgen_modeling_2010,
 author = {Glaessgen, E H and Saether, E and Hochhalter, J D and Yamakov, V},
 title = {Modeling {Near}-{Crack}-{Tip} {Plasticity} {From} {Nano}- to {Micro}-{Scales}},
 journal = {51st AIAA/ASME/ASCE/AHS/ASC Structures, Structural Dynamics, and Materials Conference},
 year = {2010},
 pages = {1--21},
 abstract = {Several efforts that are aimed at understanding the plastic deformation mechanisms related to crack propagation at the nano-, meso- and micro-length scales including atomistic simulation, discrete dislocation plasticity, strain gradient plasticity and crystal plasticity are discussed. The paper focuses on discussion of newly developed methodologies and their application to understanding damage processes in aluminum and its alloys. Examination of plastic mechanisms as a function of increasing length scale illustrates increasingly complex phenomena governing plasticity. Introduction},
 file = {/home/aselimov/docs/My Library/files/659/Glaessgen et al. - 2010 - Modeling Near-Crack-Tip Plasticity From Nano- to Micro-Scales(2).pdf}
}

@inproceedings{gola2018structure,
 author = {Gola, A and Pastewka, L and Binder, K and Müller, M and Trautmann, A},
 title = {Structure of interfaces in Cu| Au nanolaminates},
 year = {2018},
 pages = {247--254},
 booktitle = {NIC Symposium}
}

@misc{gplv3,
 title = {GNU General Public License},
 url = {http://www.gnu.org/licenses/gpl.html},
 date = {2007-06-29},
 language = {english},
 organization = {Free Software Foundation},
 pagination = {section},
 shorthand = {GPL},
 version = {3}
}

@article{gracie_adaptive_2011,
 author = {Gracie, Robert and Belytschko, Ted},
 title = {An adaptive concurrent multiscale method for the dynamic simulation of dislocations},
 journal = {International Journal for Numerical Methods in Engineering},
 year = {2011},
 month = {April},
 number = {4-5},
 volume = {86},
 pages = {575--597},
 url = {http://doi.wiley.com/10.1002/nme.3112},
 doi = {10.1002/nme.3112},
 file = {/home/aselimov/docs/My Library/files/611/Gracie, Belytschko - 2011 - An adaptive concurrent multiscale method for the dynamic simulation of dislocations.pdf},
 issn = {00295981},
 keyword = {bridging domain method, dislocations, extended finite element method, multiscale, adaptivity, continuum, molecular dynamics}
}

@article{gracie_concurrently_2009,
 author = {Gracie, Robert and Belytschko, Ted},
 title = {Concurrently coupled atomistic and {XFEM} models for dislocations and cracks},
 journal = {International Journal for Numerical Methods in Engineering},
 year = {2009},
 month = {April},
 number = {3},
 volume = {78},
 pages = {354--378},
 url = {http://doi.wiley.com/10.1002/nme.2488},
 doi = {10.1002/nme.2488},
 file = {/home/aselimov/docs/My Library/files/883/Gracie, Belytschko - 2009 - Concurrently coupled atomistic and XFEM models for dislocations and cracks.pdf},
 issn = {00295981},
 keyword = {bridging domain method, cracks, dislocations, extended finite element method, multiscale}
}

@article{gracie_new_2008,
 author = {Gracie, Robert and Oswald, Jay and Belytschko, Ted},
 title = {On a new extended finite element method for dislocations: {Core} enrichment and nonlinear formulation},
 journal = {Journal of the Mechanics and Physics of Solids},
 year = {2008},
 number = {1},
 volume = {56},
 pages = {200--214},
 doi = {10.1016/j.jmps.2007.07.010},
 abstract = {A recently developed finite element method for the modeling of dislocations is improved by adding enrichments in the neighborhood of the dislocation core. In this method, the dislocation is modeled by a line or surface of discontinuity in two or three dimensions. The method is applicable to nonlinear and anisotropic materials, large deformations, and complicated geometries. Two separate enrichments are considered: a discontinuous jump enrichment and a singular enrichment based on the closed-form, infinite-domain solutions for the dislocation core. Several examples are presented for dislocations constrained in layered materials in 2D and 3D to illustrate the applicability of the method to interface problems. ?? 2007 Elsevier Ltd. All rights reserved.},
 file = {/home/aselimov/docs/My Library/files/672/Gracie, Oswald, Belytschko - 2008 - On a new extended finite element method for dislocations Core enrichment and nonlinear formulatio(2).pdf},
 issn = {00225096},
 keyword = {Dislocation, Dislocations, Interfaces, Extended finite element method, Nonlinear, Peach-Koehler force, XFEM}
}

@article{grujicic_molecular_1996,
 author = {Grujicic, M. and Dang, P.},
 title = {A molecular dynamics study of transformation toughening in the gamma {TiAl}/beta {Ti}-{V} system},
 journal = {Materials Science and Engineering A},
 year = {1996},
 volume = {219},
 pages = {109--125}
}

@article{hadian_atomistic_2016,
 author = {Hadian, R. and Grabowski, B. and Race, C. P. and Neugebauer, J.},
 title = {Atomistic migration mechanisms of atomically flat, stepped, and kinked grain boundaries},
 journal = {Physical Review B},
 year = {2016},
 number = {16},
 volume = {94},
 pages = {1--10},
 doi = {10.1103/PhysRevB.94.165413},
 abstract = {© 2016 American Physical Society.We studied the migration behavior of mixed tilt and twist grain boundaries in the vicinity of a symmetric tilt (111) $\Sigma$7 grain boundary in aluminum. We show that these grain boundaries fall into two main categories of stepped and kinked grain boundaries around the atomically flat symmetric tilt boundary. Using these structures together with size converged molecular dynamics simulations and investigating snapshots of the boundaries during migration, we obtain an intuitive and quantitative description of the kinetic and atomistic mechanisms of the migration of general mixed grain boundaries. This description is closely related to well-known concepts in surface growth such as step and kink-flow mechanisms and allows us to derive analytical kinetic models that explain the dependence of the migration barrier on the driving force. Using this insight we are able to extract energy barrier data for the experimentally relevant case of vanishing driving forces that are not accessible from direct molecular dynamics simulations and to classify arbitrary boundaries based on their mesoscopic structures.},
 file = {/home/aselimov/docs/My Library/files/701/Hadian et al. - 2016 - Atomistic migration mechanisms of atomically flat, stepped, and kinked grain boundaries.pdf},
 issn = {24699969}
}

@article{hanukah_exact_2014,
 author = {Hanukah, Eli},
 title = {Exact integration scheme for six-node wedge element mass matrix},
 year = {2014},
 month = {December},
 url = {https://arxiv.org/abs/1412.6538},
 file = {/home/aselimov/docs/My Library/files/727/Hanukah - 2014 - Exact integration scheme for six-node wedge element mass matrix.pdf}
}

@article{hardy_formulas_1982,
 author = {Hardy, Robert J},
 title = {Formulas for determining local properties in molecular dynamics simulations: {Shock} waves},
 journal = {The Journal of chemical physics},
 year = {1982},
 number = {1},
 volume = {76},
 pages = {622--628},
 url = {http://scitation.aip.org/content/aip/journal/jcp/76/1/10.1063/1.442714},
 doi = {http://dx.doi.org/10.1063/1.442714},
 file = {/home/aselimov/docs/My Library/files/649/Hardy - 1982 - Formulas for determining local properties in molecular dynamics simulations Shock waves(2).pdf}
}

@article{hasnaoui_interaction_2004,
 author = {Hasnaoui, A. and Derlet, P. M. and Van Swygenhoven, H.},
 title = {Interaction between dislocations and grain boundaries under an indenter - {A} molecular dynamics simulation},
 journal = {Acta Materialia},
 year = {2004},
 number = {8},
 volume = {52},
 pages = {2251--2258},
 doi = {10.1016/j.actamat.2004.01.018},
 abstract = {Large-scale molecular dynamics simulations of nanocrystalline Au are used to investigate the interaction between dislocations emitted under an indenter and the nearby grain boundary network. It is shown that for cases where the indenter size is smaller than the grain size, grain boundaries not only act as a sink for dislocations, but that depending on their local structure and stress distribution, they can also reflect or emit dislocations. The emission and absorption process is accompanied by local atomic activity involving atomic shuffling and free volume migration within the grain boundary region. © 2004 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.},
 issn = {13596454},
 keyword = {Dislocations, Grain Boundary}
}

@inproceedings{hirschmann_towards_2016,
 author = {Hirschmann, Steffen and Pfluger, Dirk and Glass, Colin W.},
 title = {Towards {Understanding} {Optimal} {Load}-{Balancing} of {Heterogeneous} {Short}-{Range} {Molecular} {Dynamics}},
 publisher = {IEEE},
 year = {2016},
 month = {December},
 pages = {130--141},
 url = {http://ieeexplore.ieee.org/document/7837060/},
 doi = {10.1109/HiPCW.2016.027},
 abstract = {For heterogeneous dynamic short-range molecular dynamics simulations it is critical to employ suitable load-balancing methods to minimize the time to solution. However, designing and parametrizing the optimal load-balancing method is a complex task, depending on detailed properties of the simulation scenario.The main challenge in balancing the load of molecular dynamics simulations is the extreme difference in load density for scenarios with heterogeneous particle density, which can easily reach 4-6 orders of magnitude. Therefore, heterogeneity is deemed to be a relevant property and a suitable metric to reliably quantifying heterogeneity is formulated. This metric, which is based on binning particles and evaluating statistical moments, is then applied to example scenarios and correlated to the performance of five load balancing methodologies. Furthermore, how rapidly the load varies over time will determine how long the benefits of a specific partitioning are expected to last. We deem this to be another relevant property, the dynamics, and introduce corresponding metrics. The results indicate that these metric are useful to differentiate between scenarios and facilitate reasoning over the complex relationship between particle simulation scenarios and optimal load balancing methods. This work is a first step towards understanding this relationship, while introducing key concepts we regard as a crucial for this understanding.},
 booktitle = {2016 {IEEE} 23rd {International} {Conference} on {High} {Performance} {Computing} {Workshops} ({HiPCW})},
 file = {/home/aselimov/docs/My Library/files/671/Hirschmann, Pfluger, Glass - 2016 - Towards Understanding Optimal Load-Balancing of Heterogeneous Short-Range Molecular Dynamics.pdf},
 isbn = {978-1-5090-5773-3},
 keyword = {molecular dynamics method, methods, Computational modeling, distributed memory, dynamics, Dynamics, Force, heterogeneity, heterogeneous particle density, heterogeneous short-range molecular dynamics, inference mechanisms, linked-cell, load density, Load management, Load modeling, load-balancing, Measurement, optimal load-balancing method, parallel processing, parallelization, particle simulation scenarios, Partitioning algorithms, resource allocation, short-range molecular dynamics, spatial decomposition}
}

@article{hoagland_strengthening_2002,
 author = {Hoagland, R. G. and Mitchell, T. E. and Hirth, J. P. and Kung, H.},
 title = {On the strengthening effects of interfaces in multilayer fcc metallic composites},
 journal = {Philosophical Magazine A},
 year = {2002},
 month = {March},
 number = {4},
 volume = {82},
 pages = {643--664},
 url = {http://www.tandfonline.com/doi/abs/10.1080/01418610208243194},
 doi = {10.1080/01418610208243194},
 file = {/home/aselimov/docs/My Library/files/875/Hoagland et al. - 2002 - On the strengthening effects of interfaces in multilayer fee metallic composites.pdf},
 issn = {0141-8610},
 keyword = {NMM}
}

@article{honeycutt1987molecular,
 author = {Honeycutt, J Dana and Andersen, Hans C},
 title = {Molecular dynamics study of melting and freezing of small Lennard-Jones clusters},
 journal = {Journal of Physical Chemistry},
 publisher = {ACS Publications},
 year = {1987},
 number = {19},
 volume = {91},
 pages = {4950--4963}
}

@article{hoover_large-scale_1990,
 author = {Hoover, William G. and De Groot, Anthony J. and Hoover, Carol G. and Stowers, Irving F. and Kawai, Toshio and Holian, Brad Lee and Boku, Taisuke and Ihara, Sigeo and Belak, J.},
 title = {Large-scale elastic-plastic indentation simulations via nonequilibrium molecular dynamics},
 journal = {Physical Review A},
 year = {1990},
 month = {November},
 number = {10},
 volume = {42},
 pages = {5844--5853},
 url = {https://link.aps.org/doi/10.1103/PhysRevA.42.5844},
 doi = {10.1103/PhysRevA.42.5844},
 file = {/home/aselimov/docs/My Library/files/859/Hoover et al. - 1990 - Large-scale elastic-plastic indentation simulations via nonequilibrium molecular dynamics.pdf},
 issn = {1050-2947}
}

@article{huang_elastic_1970,
 author = {Huang, Wen and Mura, T.},
 title = {Elastic fields and energies of a circular edge disclination and a straight screw disclination},
 journal = {Journal of Applied Physics},
 year = {1970},
 number = {13},
 volume = {41},
 pages = {5175--5179},
 doi = {10.1063/1.1658641},
 file = {/home/aselimov/docs/My Library/files/731/Huang, Mura - 1970 - Elastic fields and energies of a circular edge disclination and a straight screw disclination.pdf},
 issn = {00218979}
}

@book{hull2011introduction,
 author = {Hull, Derek and Bacon, David J},
 title = {Introduction to dislocations},
 publisher = {Elsevier},
 year = {2011},
 volume = {37}
}

@article{iacobellis_comparison_2013,
 author = {Iacobellis, Vincent and Behdinan, Kamran},
 title = {Comparison of {Concurrent} {Multiscale} {Methods} in the {Application} of {Fracture} in {Nickel}},
 journal = {Journal of Applied Mechanics},
 year = {2013},
 number = {5},
 volume = {80},
 pages = {051003},
 url = {http://appliedmechanics.asmedigitalcollection.asme.org/article.aspx?doi=10.1115/1.4023477},
 doi = {10.1115/1.4023477},
 abstract = {This paper presents a study of fracture in nickel using multiscale modeling. A comparison of six concurrent multiscale methods was performed in their application to a common problem using a common framework in order to evaluate each method relative to each other. Each method was compared in both a quasi-static case of crack tip deformation as well as a dynamic case in the study of crack growth. Each method was compared to the fully atomistic model with similarities and differences between the methods noted and reasons for these provided. The results showed a distinct difference between direct and handshake coupling methods. In general, for the quasi-static case, the direct coupling methods took longer to run compared to the handshake coupling methods but had less error with respect to displacement and energy. In the dynamic case, the handshake methods took longer to run, but had reduced error most notably when wave dissipation at the atomistic/continuum region was an issue. Comparing each method under common conditions showed that many similarities exist between each method that may be hidden by their original formulation. The comparison also showed the dependency on the application as well as the simulation techniques used in determining the performance of each method.},
 file = {/home/aselimov/docs/My Library/files/858/Iacobellis, Behdinan - 2013 - Comparison of Concurrent Multiscale Methods in the Application of Fracture in Nickel(2).pdf},
 issn = {0021-8936},
 keyword = {CADD, computational mechanics, Continuum, fracture, Multiscale Model, multiscale simulation, Quasicontinuum}
}

@article{imrich_differences_2014,
 author = {Imrich, Peter J. and Kirchlechner, Christoph and Motz, Christian and Dehm, Gerhard},
 title = {Differences in deformation behavior of bicrystalline {Cu} micropillars containing a twin boundary or a large-angle grain boundary},
 journal = {Acta Materialia},
 year = {2014},
 month = {July},
 volume = {73},
 pages = {240--250},
 url = {https://www.sciencedirect.com/science/article/pii/S1359645414002730},
 doi = {10.1016/J.ACTAMAT.2014.04.022},
 abstract = {Micrometer-sized compression pillars containing a grain boundary are investigated to better understand under which conditions grain boundaries have a strengthening effect. The compression experiments were performed on focused ion beam fabricated micrometer-sized bicrystalline Cu pillars including either a large-angle grain boundary (LAGB) or a coherent twin boundary (CTB) parallel to the compression axis and additionally on single-crystalline reference samples. Pillars containing a LAGB show increased strength, stronger hardening and smaller load drops compared to single crystals and exhibit a bent boundary and pillar shape. Samples with a CTB show no major difference in stress–strain data compared to the corresponding single-crystalline samples. This is due to the special orientation and symmetry of the twin boundary and is reflected in a characteristic pillar shape after deformation. The experimental findings can be related to the dislocation–boundary interactions at the different grain boundaries and are compared with three-dimensional discrete dislocation dynamics simulations.},
 file = {/home/aselimov/docs/My Library/files/630/Imrich et al. - 2014 - Differences in deformation behavior of bicrystalline Cu micropillars containing a twin boundary or a large-angle.pdf},
 issn = {1359-6454}
}

@article{jian2020effects,
 author = {Jian, Wu-Rong and Xie, Zhuocheng and Xu, Shuozhi and Su, Yanqing and Yao, Xiaohu and Beyerlein, Irene J},
 title = {Effects of lattice distortion and chemical short-range order on the mechanisms of deformation in medium entropy alloy CoCrNi},
 journal = {Acta Materialia},
 publisher = {Elsevier},
 year = {2020},
 volume = {199},
 pages = {352--369}
}

@book{kanani2004electroplating,
 author = {Kanani, Nasser},
 title = {Electroplating: basic principles, processes and practice},
 publisher = {Elsevier},
 year = {2004}
}

@article{kanani_stacking_2016,
 author = {Kanani, M. and Hartmaier, A. and Janisch, R.},
 title = {Stacking fault based analysis of shear mechanisms at interfaces in lamellar {TiAl} alloys},
 journal = {Acta Materialia},
 year = {2016},
 volume = {106},
 pages = {208--218},
 url = {http://dx.doi.org/10.1016/j.actamat.2015.11.047},
 doi = {10.1016/j.actamat.2015.11.047},
 abstract = {The interfaces in lamellar TiAl alloys have a strong influence on the strength and deformability of the microstructure. It is widely accepted that their number and spacing can be used to tune these properties. However, the results of molecular dynamics simulations of sliding at γ/γ interfaces in lamellar TiAl alloys presented here suggest that important factors, namely the sequence of different interface types as well as the orientation of in-plane directions with respect to the loading axis, have to be included into meso-scale models. Simulations of bicrystal shear show significant differences in the deformation behavior of the different interfaces, as well as pronounced in-plane anisotropy of the shear strength of the individual interfaces. The critical stresses derived from bicrystal shear simulations are of the same order of magnitude as the one for nucleation and motion of twins in a γ-single crystal, showing that these mechanisms are competitive. In total four different deformation mechanisms, interface migration, twin nucleation and migration, dislocation nucleation, and rigid grain boundary sliding are observed. Their occurrence can be understood based on a multilayer generalized stacking fault energy analysis. This link between physical properties, geometry and deformation mechanism can provide guidelines for future alloy development.},
 file = {/home/aselimov/docs/My Library/files/884/Kanani, Hartmaier, Janisch - 2016 - Stacking fault based analysis of shear mechanisms at interfaces in lamellar TiAl alloys.pdf},
 issn = {13596454},
 keyword = {Atomistic modeling, Grain boundary sliding, Nanostructured metals, Stacking fault energy, Titanium aluminides}
}

@article{kaneko_vickers_2005,
 author = {Kaneko, Y. and Mizuta, Y. and Nishijima, Y. and Hashimoto, S.},
 title = {Vickers hardness and deformation of Ni/Cu nano-multilayers electrodeposited on copper substrates},
 journal = {Journal of Materials Science},
 year = {2005},
 month = {June},
 number = {12},
 volume = {40},
 pages = {3231--3236},
 url = {http://link.springer.com/10.1007/s10853-005-2690-4},
 doi = {10.1007/s10853-005-2690-4},
 file = {/home/aselimov/docs/My Library/files/667/Kaneko et al. - 2005 - Vickers hardness and deformation of NiCu nano-multilayers electrodeposited on copper substrates.pdf},
 issn = {0022-2461}
}

@article{kim_modified_2006,
 author = {Kim, Young Min and Lee, Byeong Joo and Baskes, M. I.},
 title = {Modified embedded-atom method interatomic potentials for {Ti} and {Zr}},
 journal = {Physical Review B - Condensed Matter and Materials Physics},
 year = {2006},
 number = {1},
 volume = {74},
 doi = {10.1103/PhysRevB.74.014101},
 abstract = {Semiempirical interatomic potentials for hcp elements, Ti and Zr, have been developed based on the MEAM ?modified embedded-atom method? formalism. The new potentials do not cause the stability problem previ- ously reported in MEAM for hcp elements, and describe wide range of physical properties ?bulk properties, point defect properties, planar defect properties, and thermal properties? of pure Ti and Zr, in good agreement with experimental information. The applicability of the potentials to atomistic approaches for investigation of various materials behavior ?slip, irradiation, amorphous behavior, etc.? in Ti or Zr-based alloys is demonstrated by showing that the related material properties are correctly reproduced using the present potentials and that the potentials can be easily extended to multicomponent systems.},
 file = {files/828/Kim, Lee, Baskes - 2006 - Modified embedded-atom method interatomic potentials for Ti and Zr(3).pdf},
 issn = {10980121}
}

@article{kim_plastic_2000,
 author = {Kim, H. S. and Estrin, Y. and Bush, M. B.},
 title = {Plastic deformation behaviour of fine-grained materials},
 journal = {Acta Materialia},
 year = {2000},
 number = {2},
 volume = {48},
 pages = {493--504},
 doi = {10.1016/S1359-6454(99)00353-5},
 abstract = {A phase mixture model in which a polycrystalline material is regarded as a mixture of a crystalline phase and a grain-boundary phase is presented. The model aims to describe the plastic deformation behaviour of fine-grained materials. The mechanical properties of the crystalline phase are modelled using unified viscoplastic constitutive relations, which take dislocation density evolution and diffusion creep into account. The total strain rate of a crystallite is calculated by summation of the contributions of dislocation, boundary diffusion and lattice diffusion mechanisms. The deformation mechanism for the grain-boundary phase is modelled as a diffusional flow of matter through the grain boundary. Using a simple rule of mixtures, the grain size dependence of the overall plastic deformation behaviour of the material is analysed. Rate effects are also investigated. The results of the calculations are compared with previously published experimental data.},
 issn = {13596454},
 keyword = {bulk di, constitutive equations, copper, interface di, inverse hall-petch, micromechanics, nanocrystalline materials, NC, usion}
}

@article{krasnikov2020prediction,
 author = {Krasnikov, Vasiliy S and Mayer, Alexander E and Pogorelko, Viсtor V},
 title = {Prediction of the shear strength of aluminum with $þeta$ phase inclusions based on precipitate statistics, dislocation and molecular dynamics},
 journal = {International Journal of Plasticity},
 publisher = {Elsevier},
 year = {2020},
 volume = {128},
 pages = {102672}
}

@article{kumar_m_d_german_c_f_shih_engineering_1981,
 author = {Kumar M D German C F Shih, Authors V},
 title = {An {Engineering} {Approach} for {Elastic}-{Plastic} {Fracture} {Analysis}},
 year = {1981},
 abstract = {(415) 965,4081 There is no charge for reports requested by EPRI member utilities and affiliates, contributing nonmembers, U.S, utility associations, U.S. government agencies (federal, state, and local), media, and foreign organizations with which EPRI has an information exchange agreement. On request, RRC will send a catalog of EPRI reports.},
 file = {/home/aselimov/docs/My Library/files/843/Kumar M D German C F Shih - 1981 - An Engineering Approach for Elastic-Plastic Fracture Analysis(2).pdf},
 keyword = {\_, · · c Keywords-, Fracture Han∼∼C)Qk}
}

@book{lesar_introduction_2013,
 author = {Lesar, Richard},
 title = {Introduction to {Computational} {Materials} {Science}: {Fundamentals} to {Applications}},
 year = {2013},
 url = {www.cambridge.org/9780521845878},
 doi = {10.1017/CBO9781139033398},
 abstract = {Emphasizing essential methods and universal principles, this textbook provides everything students need to understand the basics of simulating materials behavior. All the key topics are covered, from electronic structure methods to microstructural evolution, appendices provide crucial background material, and a wealth of practical resources are available online to complete the teaching package. • Examines modeling materials across a broad range of scales, from the atomic to the mesoscale, providing students with a solid foundation for future study and research. • Presents detailed, accessible explanations of the fundamental equations underpinning mate- rials modeling, and includes a full chapter summarizing essential mathematical background. • Extensive appendices, including essential background on classical and quantum mechanics, electrostatics, statistical thermodynamics and linear elasticity, provide all the background necessary to fully engage with the fundamentals of computational modeling. • Exercises, worked examples, computer codes and discussions of practical implementations methods are all provided online to give students the hands-on experience they need.},
 file = {/home/aselimov/docs/My Library/files/632/Lesar - 2013 - Introduction to Computational Materials Science Fundamentals to Applications(2).pdf},
 isbn = {978-0-521-84587-8},
 pmid = {25246403}
}

@article{li_direct_2012,
 author = {Li, Nan and Wang, Jian and Misra, Amit and Huang, Jian Yu},
 title = {Direct {Observations} of {Confined} {Layer} {Slip} in {Cu}/{Nb} {Multilayers}},
 journal = {Microscopy and Microanalysis},
 year = {2012},
 month = {October},
 number = {05},
 volume = {18},
 pages = {1155--1162},
 url = {http://www.journals.cambridge.org/abstract_S143192761200133X},
 doi = {10.1017/S143192761200133X},
 abstract = {{\textbackslash}textlessdiv class="abstract" data-abstract-type="normal"{\textbackslash}textgreater {\textbackslash}textlessp{\textbackslash}textgreater {\textbackslash}textlessspan class='italic'{\textbackslash}textgreaterIn situ{\textbackslash}textless/span{\textbackslash}textgreater nanoindentation of a 30 nm Cu/20 nm Nb multilayer film in a transmission electron microscope revealed confined layer slip as the dominant deformation mechanism. Dislocations were observed to nucleate from the Cu-Nb interfaces in both layers. Dislocation glide was confined by interfaces to occur within each layer, without transmission across interfaces. Cu and Nb layers co-deformed to large plastic strains without cracking. These microscopy observations provide insights in the unit mechanisms of deformation, work hardening, and recovery in nanoscale metallic multilayers.{\textbackslash}textless/p{\textbackslash}textgreater {\textbackslash}textless/div{\textbackslash}textgreater},
 file = {/home/aselimov/docs/My Library/files/868/Li et al. - 2012 - Direct Observations of Confined Layer Slip in CuNb Multilayers.pdf},
 issn = {1431-9276},
 keyword = {confined layer slip, Cu-Nb interfaces, in situ indentation}
}

@article{li_dislocation_2010,
 author = {Li, Xiaoyan and Wei, Yujie and Lu, Lei and Lu, Ke and Gao, Huajian},
 title = {Dislocation nucleation governed softening and maximum strength in nano-twinned metals},
 journal = {Nature},
 year = {2010},
 month = {April},
 number = {7290},
 volume = {464},
 pages = {877--880},
 url = {http://www.nature.com/articles/nature08929},
 doi = {10.1038/nature08929},
 file = {/home/aselimov/docs/My Library/files/635/Li et al. - 2010 - Dislocation nucleation governed softening and maximum strength in nano-twinned metals.pdf},
 issn = {0028-0836},
 keyword = {Grain boundaries, Dislocations (Crystals), Metal crystals, Nanotechnology, Nucleation (Physics)}
}

@article{li_role_2018,
 author = {Li, Yi and Zhou, Qing and Zhang, Shuang and Huang, Ping and Xu, Kewei and Wang, Fei and Lu, Tianjian},
 title = {On the role of weak interface in crack blunting process in nanoscale layered composites},
 journal = {Applied Surface Science},
 year = {2018},
 volume = {433},
 pages = {957--962},
 doi = {10.1016/j.apsusc.2017.10.002},
 abstract = {Heterointerface in a nanoscale metallic layered composite could improve its crack resistance. However, the influence of metallic interface structures on crack propagation has not been well understood at atomic scale. By using the method of molecular dynamics (MD) simulation, the crack propagation behavior in Cu-Nb bilayer is compared with that in Cu-Ni bilayer. We find that the weak Cu-Nb interface plays an important role in hindering crack propagation in two ways: (i) dislocation nucleation at the interface releases stress concentration for the crack to propagate; (ii) the easily sheared weak incoherent interface blunts the crack tip. The results are helpful for understanding the interface structure dependent crack resistance of nanoscale bicrystal interfaces.},
 file = {/home/aselimov/docs/My Library/files/616/Li et al. - 2018 - On the role of weak interface in crack blunting process in nanoscale layered composites.pdf},
 issn = {01694332},
 keyword = {Dislocation, Molecular dynamics, Fracture, Crack, Interface}
}

@article{lin_measuring_2016,
 author = {Lin, Neil Y. C. and Bierbaum, Matthew and Schall, Peter and Sethna, James P. and Cohen, Itai},
 title = {Measuring nonlinear stresses generated by defects in {3D} colloidal crystals},
 journal = {Nature Materials},
 year = {2016},
 number = {11},
 volume = {15},
 pages = {1172--1176},
 url = {http://www.nature.com/doifinder/10.1038/nmat4715},
 doi = {10.1038/nmat4715},
 abstract = {The mechanical, structural and functional properties of crystals are determined by their defects1, 2, 3, 4, and the distribution of stresses surrounding these defects has broad implications for the understanding of transport phenomena. When the defect density rises to levels routinely found in real-world materials, transport is governed by local stresses that are predominantly nonlinear1, 5, 6, 7, 8. Such stress fields however, cannot be measured using conventional bulk and local measurement techniques. Here, we report direct and spatially resolved experimental measurements of the nonlinear stresses surrounding colloidal crystalline defect cores, and show that the stresses at vacancy cores generate attractive interactions between them. We also directly visualize the softening of crystalline regions surrounding dislocation cores, and find that stress fluctuations in quiescent polycrystals are uniformly distributed rather than localized at grain boundaries, as is the case in strained atomic polycrystals. Nonlinear stress measurements have important implications for strain hardening9, yield1, 5 and fatigue10.},
 file = {/home/aselimov/docs/My Library/files/658/Lin et al. - 2016 - Measuring nonlinear stresses generated by defects in 3D colloidal crystals(2).pdf},
 issn = {1476-1122},
 keyword = {Dislocations, Dislocation Core, Nonlinearity},
 pmid = {27479210}
}

@article{lukas_role_2004,
 author = {Lukáš, P. and Kunz, L.},
 title = {Role of persistent slip bands in fatigue},
 journal = {Philosophical Magazine},
 year = {2004},
 number = {3-5},
 volume = {84},
 pages = {317--330},
 doi = {10.1080/14786430310001610339},
 abstract = {Perhaps the most thoroughly studied feature of cyclic plasticity has been persistent slip bands (PSBs) formed in some metals during cyclic loading. The aim of this paper is to delimit the conditions for the occurrence of the PSBs and to discuss their role in the fatigue process in all its stages, that is in cyclic hardening resulting in a saturated stress-strain response, in initiation of fatigue microcracks and in propagation of fatigue cracks. The PSBs are zones of high cyclic slip activity. Therefore the cyclic stress-strain response depends on their volume fraction and on the ratio of cyclic slip activities within the PSBs to those outside the PSB. The cyclic plastic deformation within the PSBs leads to the formation of surface extrusions and intrusions along the traces of the active slip planes; fatigue microcracks start from the surface intrusions. Thus the PSBs play a crucial role in the process of crack initiation. Stage I fatigue cracks usually run along the PSBs. At very early stages of crack propagation these PSBs are formed before the cracks are initiated; later the PSBs are formed in the plastic zones ahead of the cracks. Stage II fatigue cracks often follow the PSBs on the microscopic level in the threshold region.},
 issn = {14786435},
 keyword = {Fatigue, Persistant Slip Bands, PSB}
}

@article{mae_instability_2002,
 author = {Mae, K. and Nobata, T. and Ishida, H. and Motoyama, S. and Hiwatari, Y.},
 title = {Instability of hcp structures in modified embedded atom method},
 journal = {Modelling and Simulation in Materials Science and Engineering},
 year = {2002},
 volume = {10},
 pages = {205--214},
 abstract = {By performing isobaric–isothermal molecular dynamics simulations for Ti we have obtained the result that the ‘modified embedded atom method' potential creates stable structures different from the hcp structure, with a non-ideal c/a ratio that is experimentally stable. The hcp-to-bcc transformation at high temperature is reproduced. However, attempts to make the hcp structure the ground state structure, by adjusting the many-body screening function or by taking the second-nearest neighbour interactions into account, have been unsuccessful. Structural stabilities of other hcp metals have also been examined.},
 file = {/home/aselimov/docs/My Library/files/720/Rawat et al. - 2002 - Modelling and Simulation in Materials Science and Engineering Related content Instability of hcp structures in mod.pdf}
}

@article{mastorakos_deformation_2009,
 author = {Mastorakos, Ioannis N. and Zbib, Hussein M. and Bahr, David F.},
 title = {Deformation mechanisms and strength in nanoscale multilayer metallic composites with coherent and incoherent interfaces},
 journal = {Applied Physics Letters},
 year = {2009},
 month = {April},
 number = {17},
 volume = {94},
 pages = {173114},
 url = {http://aip.scitation.org/doi/10.1063/1.3129166},
 doi = {10.1063/1.3129166},
 abstract = {We investigate the deformation behavior of bimetallic and trimetallic nanoscale multilayer metallic composites under biaxial loading using molecular dynamics. Three types of structures were studied: (a) Cu–Ni fcc/fcc bilayer, (b) Cu–Nb fcc/bcc bilayer, and (c) Ni–Cu–Nb fcc/fcc/bcc trilayer. A configuration with a dislocation structure inside is generated by initially loading a perfect structure to a high strain to nucleate dislocations, then completely unloading it and loading it again. The comparison between the deformation behavior of bilayer and trilayer structures revealed that the Cu–Ni is more ductile, the Cu–Nb is stronger, and the trilayer structure exhibits both high strength and ductility.},
 file = {/home/aselimov/docs/My Library/files/678/Mastorakos, Zbib, Bahr - 2009 - Deformation mechanisms and strength in nanoscale multilayer metallic composites with coherent and incohe.pdf},
 issn = {0003-6951},
 keyword = {copper, molecular dynamics method, ductility, niobium, dislocation nucleation, dislocation structure, multilayers, nanocomposites, nickel}
}

@article{mastorakos_size-dependent_2011,
 author = {Mastorakos, Ioannis N. and Bellou, Aikaterini and Bahr, David F. and Zbib, Hussein M.},
 title = {Size-dependent strength in nanolaminate metallic systems},
 journal = {Journal of Materials Research},
 year = {2011},
 month = {May},
 number = {10},
 volume = {26},
 pages = {1179--1187},
 url = {http://www.journals.cambridge.org/abstract_S0884291411001208},
 doi = {10.1557/jmr.2011.120},
 abstract = {\textlessdiv class="abstract" data-abstract-type="normal"\textgreater\textlessp\textgreaterThe effect of layer thickness on the hardness of nanometallic material composites with both coherent and incoherent interfaces was investigated using nanoindentation. Then, atomistic simulations were performed to identify the critical deformation mechanisms and explain the macroscopic behavior of the materials under investigation. Nanocomposites of different individual layer thicknesses, ranging from 1–30 nm, were manufactured and tested in nanoindentation. The findings were compared to the stress–strain curves obtained by atomistic simulations. The results reveal the role of the individual layer thickness as the thicker structures exhibit somehow different behavior than the thinner ones. This difference is attributed to the motion of the dislocations inside the layers. However, in all cases the hybrid structure was the strongest, implying that a particular improvement to the mechanical properties of the coherent nanocomposites can be achieved by adding a body-centered cubic layer on top of a face-centered cubic bilayer.\textless/p\textgreater\textless/div\textgreater},
 file = {/home/aselimov/docs/My Library/files/880/Mastorakos et al. - 2011 - Size-dependent strength in nanolaminate metallic systems.pdf},
 issn = {0884-2914},
 keyword = {Simulation, Hardness, Nanostructure}
}

@article{matthews_defects_1975,
 author = {Matthews, J.W. and Blakeslee, A.E.},
 title = {Defects in epitaxial multilayers: {II}. {Dislocation} pile-ups, threading dislocations, slip lines and cracks},
 journal = {Journal of Crystal Growth},
 year = {1975},
 month = {July},
 number = {3},
 volume = {29},
 pages = {273--280},
 url = {https://www.sciencedirect.com/science/article/pii/0022024875901712},
 doi = {10.1016/0022-0248(75)90171-2},
 abstract = {Multilayers composed of many thin layers of GaAs and GaAs0.5P0.5 were grown on GaAs substrates by chemical vapor deposition. They were examined by optical microscopy, electron microscopy and scanning electron microscopy. Slip lines, dislocation pile-ups, threading dislocations, and cracks were found. These defects were made to relieve elastic stresses generated as a result of misfit between the multilayer taken as a whole and its substrate. The roles of dislocation pile-ups and superkinks in the propagation of dislocations through multilayers are discussed.},
 file = {/home/aselimov/docs/My Library/files/710/Matthews, Blakeslee - 1975 - Defects in epitaxial multilayers II. Dislocation pile-ups, threading dislocations, slip lines and cracks.pdf},
 issn = {0022-0248},
 keyword = {NMM}
}

@article{mcdowell_perspective_2010,
 author = {McDowell, David L.},
 title = {A perspective on trends in multiscale plasticity},
 journal = {International Journal of Plasticity},
 year = {2010},
 number = {9},
 volume = {26},
 pages = {1280--1309},
 url = {http://dx.doi.org/10.1016/j.ijplas.2010.02.008},
 doi = {10.1016/j.ijplas.2010.02.008},
 abstract = {Research trends in metal plasticity over the past 25 years are briefly reviewed. The myriad of length scales at which phenomena involving microstructure rearrangement during plastic flow is discussed, along with key challenges. Contributions of the author's group over the past 30 years are summarized in this context, focusing on the statistical nature of microstructure evolution and emergent multiscale behavior associated with metal plasticity, current trends and models for length scale effects, multiscale kinematics, the role of grain boundaries, and the distinction of the roles of concurrent and hierarchical multiscale modeling in the context of materials design. © 2010 Elsevier Ltd.},
 file = {/home/aselimov/docs/My Library/files/724/McDowell - 2010 - A perspective on trends in multiscale plasticity(2).pdf},
 issn = {07496419},
 keyword = {Grain boundaries, Plasticity, Multiscale, Gradient, Scale effects}
}

@article{mendelev_development_2016,
 author = {Mendelev, M. I. and Underwood, T. L. and Ackland, G. J.},
 title = {Development of an interatomic potential for the simulation of defects, plasticity, and phase transformations in titanium},
 journal = {Journal of Chemical Physics},
 year = {2016},
 number = {15},
 volume = {145},
 doi = {10.1063/1.4964654},
 abstract = {New interatomic potentials describing defects, plasticity, and high temperature phase transitions for Ti are presented. Fitting the martensitic hcp-bcc phase transformation temperature requires an efficient and accurate method to determine it. We apply a molecular dynamics method based on determination of the melting temperature of competing solid phases, and Gibbs-Helmholtz integration, and a lattice-switch Monte Carlo method: these agree on the hcp-bcc transformation temperatures to within 2 K. We were able to develop embedded atom potentials which give a good fit to either low or high temperature data, but not both. The first developed potential (Ti1) reproduces the hcp-bcc transformation and melting temperatures and is suitable for the simulation of phase transitions and bcc Ti. Two other potentials (Ti2 and Ti3) correctly describe defect properties and can be used to simulate plasticity or radiation damage in hcp Ti. The fact that a single embedded atom method potential cannot describe both low and h...},
 file = {/home/aselimov/docs/My Library/files/857/Mendelev, Underwood, Ackland - 2016 - Development of an interatomic potential for the simulation of defects, plasticity, and phase tr(3).pdf},
 issn = {00219606}
}

@article{miller_quasicontinuum_1999,
 author = {Miller, R and Tadmor, E B and Phillips, R and Ortiz, M},
 title = {Quasicontinuum simulation of fracture at the atomic scale},
 journal = {Modelling and Simulation in Materials Science and Engineering},
 year = {1999},
 number = {5},
 volume = {6},
 pages = {607--638},
 doi = {10.1088/0965-0393/6/5/008},
 abstract = {We study the problem of atomic scale fracture using the recently developed quasicontinuum method in which there is a systematic thinning of the atomic-level degrees of freedom in regions where they are not needed. Fracture is considered in two distinct settings. First, a study is made of cracks in single crystals, and second, we consider a crack advancing towards a grain boundary (GB) in its path. In the investigation of single crystal fracture, we evaluate the competition between simple cleavage and crack-tip dislocation emission. In addition, we examine the ability of analytic models to correctly predict fracture behaviour, and find that the existing analytical treatments are too restrictive in their treatment of nonlinearity near the crack tip. In the study of GB-crack interactions, we have found a number of interesting deformation mechanisms which attend the advance of the crack. These include the migration of the GB, the emission of dislocations from the GB, and deflection of the crack front along the GB itself. In each case, these mechanisms are rationalized on the basis of continuum mechanics arguments.},
 file = {/home/aselimov/docs/My Library/files/676/Miller et al. - 1999 - Quasicontinuum simulation of fracture at the atomic scale(2).pdf},
 issn = {0965-0393},
 pmid = {76844600009}
}

@article{misra_length-scale-dependent_2005,
 author = {Misra, A. and Hirth, J. P. and Hoagland, R. G.},
 title = {Length-scale-dependent deformation mechanisms in incoherent metallic multilayered composites},
 journal = {Acta Materialia},
 year = {2005},
 number = {18},
 volume = {53},
 pages = {4817--4824},
 doi = {10.1016/j.actamat.2005.06.025},
 abstract = {Nano-indentation hardness as a function of bilayer period has been measured for sputter-deposited Cu-Nb multilayers. For this face-centered cubic/body-centered cubic system with incoherent interfaces, we develop dislocation models for the multilayer flow strength as a function of length scale from greater than a micrometer to less than a nanometer. A dislocation pile-up-based Hall-Petch model is found applicable at the sub-micrometer length scales and the Hall-Petch slope is used to estimate the peak strength of the multilayers. At the few to a few tens of nanometers length scales, confined layer slip of single dislocations is treated as the operative mechanism. The effects of dislocation core spreading along the interface, interface stress and interface dislocation arrays on the confined layer slip stress are incorporated in the model to correctly predict the strength increase with decreasing layer thickness. At layer thicknesses of a few nanometers or less, the strength reaches a peak. We postulate that this peak strength is set by the interface resistance to single dislocation transmission, and calculate the transition from confined layer slip to an interface cutting mechanism. © 2005 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.},
 file = {/home/aselimov/docs/My Library/files/623/Misra, Hirth, Hoagland - 2005 - Length-scale-dependent deformation mechanisms in incoherent metallic multilayered composites(2).pdf},
 issn = {13596454},
 keyword = {Dislocations, Thin films, Nanostructured materials}
}

@book{narita_crack-tip_1989,
 author = {Narita, Nobutaka and Higashida, Kenji and Torii, Takeshi},
 title = {Crack-tip {Shielding} by {Dislocation} and {Fracture} {Toughness} in {NaCl} {Crystals}},
 year = {1989},
 number = {11},
 volume = {30},
 doi = {10.2320/matertrans1989.30.895},
 file = {/home/aselimov/docs/My Library/files/862/Narita, Higashida, Torii - 1989 - Crack-tip Shielding by Dislocation and Fracture Toughness in NaCl Crystals(2).pdf}
}

@article{nieh_hall-petch_1991,
 author = {Nieh, T. G. and Wadsworth, J.},
 title = {Hall-petch relation in nanocrystalline solids},
 journal = {Scripta Metallurgica et Materiala},
 year = {1991},
 number = {4},
 volume = {25},
 pages = {955--958},
 doi = {10.1016/0956-716X(91)90256-Z},
 abstract = {It is well known that the Hall-Petch (HP) equation can describe the relationship between yield strength and grain size in conventional metal alloys [1]. The HP relation predicts that strength or hardness should increase with decreasing grain size. Recently, several studies on nanocrystalline materials have reported observations of a normal HP relation but also an inverse HP relation, that is, a hardness increase with increasing grain size [2-7]. (It is noted that nanocrystalline materials primarily consist of perfect lattices within their grains; that is, cells and subgrains are not observed within grains [8].) The purpose of the present paper is to offer an explanation for this apparent controversy.},
 file = {/home/aselimov/docs/My Library/files/716/Nieh, Wadsworth - 1991 - Hall-petch relation in nanocrystalline solids(2).pdf},
 issn = {0956716X}
}

@article{nizolek_tensile_2016,
 author = {Nizolek, Thomas and Beyerlein, Irene J. and Mara, Nathan A. and Avallone, Jaclyn T. and Pollock, Tresa M.},
 title = {Tensile behavior and flow stress anisotropy of accumulative roll bonded {Cu}-{Nb} nanolaminates},
 journal = {Applied Physics Letters},
 year = {2016},
 month = {February},
 number = {5},
 volume = {108},
 pages = {051903},
 url = {http://aip.scitation.org/doi/10.1063/1.4941043},
 doi = {10.1063/1.4941043},
 abstract = {The flow stress, ductility, and in-plane anisotropy are evaluated for bulk accumulative roll bonded copper-niobium nanolaminates with layer thicknesses ranging from 1.8 μm to 15 nm. Uniaxial tensile tests conducted parallel to the rolling direction and transverse direction demonstrate that ductility generally decreases with decreasing layer thickness; however, at 30 nm, both high strengths (1200 MPa) and significant ductility (8\\%) are achieved. The yield strength increases monotonically with decreasing layer thickness, consistent with the Hall-Petch relationship, and significant in-plane flow stress anisotropy is observed. Taylor polycrystal modeling is used to demonstrate that crystallographic texture is responsible for the in-plane anisotropy and that the effects of texture dominate even at nanoscale layer thicknesses.},
 file = {/home/aselimov/docs/My Library/files/644/Nizolek et al. - 2016 - Tensile behavior and flow stress anisotropy of accumulative roll bonded Cu-Nb nanolaminates.pdf},
 issn = {0003-6951},
 keyword = {copper, nanostructured materials, yield strength, ductility, grain size, laminates, nanomechanics, niobium, plastic flow, tensile testing, texture, yield stress}
}

@incollection{noauthor_concurrent_nodate,
 title = {Concurrent {Atomistic}-{Continuum} {Simulation} of {Defects} in {Polyatomic} {Ionic} {Materials}}
}

@book{noauthor_ref_62.pdf_nodate,
 title = {Ref\_62.pdf}
}

@article{nye_geometrical_1953,
 author = {Nye, J.F},
 title = {Some geometrical relations in dislocated crystals},
 journal = {Acta Metallurgica},
 year = {1953},
 month = {March},
 number = {2},
 volume = {1},
 pages = {153--162},
 url = {https://www.sciencedirect.com/science/article/pii/0001616053900546},
 doi = {10.1016/0001-6160(53)90054-6},
 abstract = {When a single crystal deforms by glide which is unevenly distributed over the glide surfaces the lattice becomes curved. The constant feature of distortion by glide on a single set of planes is that the orthogonal trajectories of the deformed glide planes (the c-axes in hexagonal metals) are straight lines. This leads to the conclusion that in polygonisation experiments on single hexagonal metal crystals the polygon walls are planes, while the glide planes are deformed into cylinders whose sections are the involutes of a single curve. The analysis explains West's observation that the c-axes in bent crystals of corundum are straight lines. For double glide on two orthogonal sets of planes there is a complete analogy between the geometrical properties of the distorted glide planes and those of the “slip-lines” in the mathematical theory of plasticity. More general cases are discussed and formulae are derived connecting the density of dislocations with the lattice curvatures. For a three-dimensional network of dislocations the “state of dislocation” of a region is shown to be specified by a second-rank tensor, which has properties like those of a stress tensor except that it is not symmetrical. Quand un monocristal est déformé par glissement, qui nest pas uniformément distribué sur les surfaces de glissement, le réseau devient courbé. La caractéristique constante de distorsion par glissement sur un soul groupe de plans est, quo les trajectories orthogonales des plans de glissement déformes (les axes-c dans les métaux hexagonaux) sont des droites. Ceci conduit à la conclusion, que dans les essais de polygonisation sur des monocristaux des métaux hexagonaux, les faces des polygones sont planes, alors quo les plans de glissement sont déformés en des cylindres, dont les sections sont des développantes d'une seule courbe. L'analyse explique l'observation de West, quo les axes-c dans des cristaux fléchis de corindon sont des droites. Pour le glissement double sur deux groupes orthogonaux de plans il y a une analogie complète entre les propriétés géométriques des plans de glissement déformés et celles des lignes de glissement Bans la théorie mathématique de la plasticité. Des cas plus généraux sont discutés et des formules joignant la densité des dislocations aux curvaures du réseau sont déduites. Il est montré quo pour un réseau de dislocations à trois dimensions “l'état de dislocation” d'une region est spécifié par un tenseur de second rang, qui a des propriétés semblables à celles du tenseur de tension, à l'éxception du fait, qu'il n'est pas symétrique. Wenn Einkristalle durch Gleitung verformt werden, and die Gleitung sich ungleichmässig über die Gleitebenen verteilt, dann wird das Kristallgitter “verbogen.” Eine der immer wiederkehrenden Begleiterscheinungen der Verformung durch Gleitung im Fall einer einzigen Translationsebene ist, class die Orthogonal trajektorien der verformten Gleitebenen (in hexogonalen Metallen die c-Achsen) Graden sind. Daraus kann man schliessen, dass in Polygon isationsexperimenten an hexogonalen. Einkristallen die Wände der Polygone Ebenen sind, während sich die Gleitebenen zu Zylindern verformt haben, deren Schnitte die Evoluten einer einzigen Kurve sind. Diese Analyse erklärt die Beobachtung von West, dass die c-Achsen von “gebogenen” Korund Kristallen Graden sind. Im Falle einer doppelten Gleitung auf zwei auf einander senkrechten Gleitebenen besteht eine völlige Analogie zwischen den geometrischen ,Eigenschaften der verformten Gleitebenen and den “Gleitlinien” in der mathematischen Theorie der Plastizität. Allgemeine Fälle werden diskutiert und Formeln abgeleitet, die die Dichte der Versetzungen mit der Biegung des Gitters verknüpft. Es wird gezeigt, dass in einem dreidimensionalen Netzwerk von Versetzungen der “Versetzungszustand” eines Bereiches als Tensor zweiter Ordnung dargestellt werden kann, dessen Eigenschaften denen des Spannungstensors ähnlich sind, der jedoch mcht symmetrisch ist.},
 file = {/home/aselimov/docs/My Library/files/838/Nye - 1953 - Some geometrical relations in dislocated crystals.pdf},
 issn = {0001-6160}
}

@article{of_colorado_lumped_2010,
 author = {of Colorado, University},
 title = {Lumped and {Consisitent} {Mass} {Matrices}},
 journal = {Introduction To Finite Element Mehtods},
 year = {2010},
 pages = {31.1--31.23},
 file = {/home/aselimov/docs/My Library/files/696/Colorado - 2010 - Lumped and Consisitent Mass Matrices.pdf}
}

@article{ogden1986high,
 author = {Ogden, Cameron},
 title = {High-strength, composite copper-nickel electrodeposits},
 journal = {Plating and surface finishing},
 year = {1986},
 number = {5},
 volume = {73},
 pages = {130--134}
}

@article{onat_optimized_2014,
 author = {Onat, Berk and Durukanoǧlu, Sondan},
 title = {An optimized interatomic potential for Cu-Ni alloys with the embedded-atom method},
 journal = {Journal of Physics Condensed Matter},
 year = {2014},
 number = {3},
 volume = {26},
 abstract = {We have developed a semi-empirical and many-body type model potential using a modified charge density profile for Cu–Ni alloys based on the embedded-atom method (EAM) formalism with an improved optimization technique. The potential is determined by fitting to experimental and first-principles data for Cu, Ni and Cu–Ni binary compounds, such as lattice constants, cohesive energies, bulk modulus, elastic constants, diatomic bond lengths and bond energies. The generated potentials were tested by computing a variety of properties of pure elements and the alloy of Cu, Ni: the melting points, alloy mixing enthalpy, lattice specific heat, equilibrium lattice structures, vacancy formation and interstitial formation energies, and various diffusion barriers on the (100) and (111) surfaces of Cu and Ni.},
 file = {/home/aselimov/docs/My Library/files/642/Onat, Durukanoǧlu - 2014 - An optimized interatomic potential for Cu-Ni alloys with the embedded-atom method.pdf},
 issn = {1361648X},
 keyword = {Cu, Cu-Ni alloys, first-principle calculations, interatomic potential, Ni},
 pmid = {24351396}
}
@article{parrinello_polymorphic_1981,
 author = {Parrinello, M. and Rahman, A.},
 title = {Polymorphic transitions in single crystals: {A} new molecular dynamics method},
 journal = {Journal of Applied Physics},
 year = {1981},
 month = {December},
 number = {12},
 volume = {52},
 pages = {7182--7190},
 url = {http://aip.scitation.org/doi/10.1063/1.328693},
 doi = {10.1063/1.328693},
 abstract = {A new Lagrangian formulation is introduced. It can be used to make molecular dynamics (MD) calculations on systems under the most general, externally applied, conditions of stress. In this formulation the MD cell shape and size can change according to dynamical equations given by this Lagrangian. This new MD technique is well suited to the study of structural transformations in solids under external stress and at finite temperature. As an example of the use of this technique we show how a single crystal of Ni behaves under uniform uniaxial compressive and tensile loads. This work confirms some of the results of static (i.e., zero temperature) calculations reported in the literature. We also show that some results regarding the stress‐strain relation obtained by static calculations are invalid at finite temperature. We find that, under compressive loading, our model of Ni shows a bifurcation in its stress‐strain relation; this bifurcation provides a link in configuration space between cubic and hexagonal c...},
 file = {/home/aselimov/docs/My Library/files/666/Parrinello, Rahman - 1981 - Polymorphic transitions in single crystals A new molecular dynamics method.pdf},
 issn = {0021-8979},
 keyword = {COMPARATIVE EVALUATIONS, COMPRESSION, CONFIGURATION, CUBIC LATTICES, DYNAMICS, HCP LATTICES, IMPACT SHOCK, LAGRANGE EQUATIONS, MONOCRYSTALS, NICKEL, PHASE TRANSFORMATIONS, SIZE, STRAINS, STRESSES, STRUCTURAL MODELS, TENSILE PROPERTIES, THEORETICAL DATA}
}

@article{pei_tunable_2018,
 author = {Pei, Zongrui and Sheng, Howard and Zhang, Xie and Li, Rui and Svendsen, Bob},
 title = {Tunable twin stability and an accurate magnesium interatomic potential for dislocation-twin interactions},
 journal = {Materials and Design},
 year = {2018},
 number = {September},
 volume = {153},
 pages = {232--241},
 url = {https://doi.org/10.1016/j.matdes.2018.04.085},
 doi = {10.1016/j.matdes.2018.04.085},
 abstract = {We showed that there are two variants of twin boundaries for each twin system in hexagonal close-packed materials in our previous study. In this work we further demonstrate that the mechanical stability of these two twin variants in Mg are controlled by their energies and theoretically tunable. In the second part of this work, we continue to incorporate this information of twin boundaries into a newly developed embedded-atom-method (EAM) potential for pure Mg. In addition to twins, the other important information of dislocations and stacking faults is also included, which renders our potential among one of the rare comprehensively optimized ones. Therefore our potential is supposed to be able to accurately capture the physics of not only single defect but also defect-defect interactions. The defect-defect interactions have not been adequately addressed, since modeling their long-range force fields based on density functional theory is computationally too expensive. The new potential will supply new momentum to the study of defect-defect (such as twin-dislocation) interactions and the defect-controlled mechanical properties in Mg. Our study therefore sheds light on the design of novel Mg alloys with optimized mechanical properties.},
 file = {/home/aselimov/docs/My Library/files/622/Pei et al. - 2018 - Tunable twin stability and an accurate magnesium interatomic potential for dislocation-twin interactions.pdf},
 issn = {18734197},
 keyword = {Dislocations, EAM potential, Stacking faults, Tunable twin boundaries}
}

@article{pellicer2010nanocrystalline,
 author = {Pellicer, Eva and Varea, Aı̈da and Pané, Salvador and Nelson, Bradley J and Menéndez, Enric and Estrader, Marta and Surinach, Santiago and Baró, Maria Dolors and Nogués, Josep and Sort, Jordi},
 title = {Nanocrystalline electroplated Cu--Ni: metallic thin films with enhanced mechanical properties and tunable magnetic behavior},
 journal = {Advanced functional materials},
 publisher = {Wiley Online Library},
 year = {2010},
 number = {6},
 volume = {20},
 pages = {983--991}
}

@article{petch1953cleavage,
 author = {Petch, NJ},
 title = {The cleavage strength of polycrystals},
 journal = {Journal of the Iron and Steel Institute},
 year = {1953},
 volume = {174},
 pages = {25--28}
}

@book{plimpton_fast_1995,
 author = {Plimpton, Steve},
 title = {Fast Parallel Algorithms for Short-Range Molecular Dynamics},
 year = {1995},
 number = {1},
 volume = {117},
 url = {http://linkinghub.elsevier.com/retrieve/pii/S002199918571039X},
 doi = {10.1006/jcph.1995.1039},
 file = {/home/aselimov/docs/My Library/files/694/Plimpton - 1995 - Fast Parallel Algorithms for Short-Range Molecular Dynamics(2).pdf},
 isbn = {0021-9991},
 pmid = {8987871}
}

@article{potirniche_molecular_2006,
 author = {Potirniche, G.P. and Horstemeyer, M.F. and Wagner, G.J. and Gullett, P.M.},
 title = {A molecular dynamics study of void growth and coalescence in single crystal nickel},
 journal = {International Journal of Plasticity},
 year = {2006},
 month = {February},
 number = {2},
 volume = {22},
 pages = {257--278},
 url = {https://www.sciencedirect.com/science/article/pii/S0749641905000458},
 doi = {10.1016/J.IJPLAS.2005.02.001},
 abstract = {Molecular dynamics simulations using Modified Embedded Atom Method (MEAM) potentials were performed to analyze material length scale influences on damage progression of single crystal nickel. Damage evolution by void growth and coalescence was simulated at very high strain rates (108–1010/s) involving four specimen sizes ranging from ≈5000 to 170,000 atoms with the same initial void volume fraction. 3D rectangular specimens with uniform thickness were provided with one and two embedded cylindrical voids and were subjected to remote uniaxial tension at a constant strain rate. Void volume fraction evolution and the corresponding stress–strain responses were monitored as the voids grew under the increasing applied tractions. The results showed that the specimen length scale changes the dislocation pattern, the evolving void aspect ratio, and the stress–strain response. At small strain levels (0–20\\%), a damage evolution size scale effect can be observed from the damage-strain and stress–strain curves, which is consistent with dislocation nucleation argument of Horstemeyer et al. [Horstemeyer, M.F., Baskes, M.I., Plimpton, S.J., 2001a. Length scale and time scale effects on the plastic flow of FCC metals. Acta Mater. 49, pp. 4363–4374] playing a dominant role. However, when the void volume fraction evolution is plotted versus the applied true strain at large plastic strains ({\textbackslash}textgreater20\\%), minimal size scale differences were observed, even with very different dislocation patterns occurring in the specimen. At this larger strain level, the size scale differences cease to be relevant, because the effects of dislocation nucleation were overcome by dislocation interaction. This study provides fodder for bridging material length scales from the nanoscale to the larger scales by examining plasticity and damage quantities from a continuum perspective that were generated from atomistic results.},
 file = {/home/aselimov/docs/My Library/files/680/Potirniche et al. - 2006 - A molecular dynamics study of void growth and coalescence in single crystal nickel.pdf},
 issn = {0749-6419}
}

@article{quek_inverse_2016,
 author = {Quek, Siu Sin and Chooi, Zheng Hoe and Wu, Zhaoxuan and Zhang, Yong Wei and Srolovitz, David J.},
 title = {The inverse hall-petch relation in nanocrystalline metals: {A} discrete dislocation dynamics analysis},
 journal = {Journal of the Mechanics and Physics of Solids},
 year = {2016},
 volume = {88},
 pages = {252--266},
 url = {http://dx.doi.org/10.1016/j.jmps.2015.12.012},
 doi = {10.1016/j.jmps.2015.12.012},
 abstract = {When the grain size in polycrystalline materials is reduced to the nanometer length scale (nanocrystallinity), observations from experiments and atomistic simulations suggest that the yield strength decreases (softening) as the grain size is decreased. This is in contrast to the Hall-Petch relation observed in larger sized grains. We incorporated grain boundary (GB) sliding and dislocation emission from GB junctions into the classical DDD framework, and recovered the smaller is weaker relationship observed in nanocrystalline materials. This current model shows that the inverse Hall-Petch behavior can be obtained through a relief of stress buildup at GB junctions from GB sliding by emitting dislocations from the junctions. The yield stress is shown to vary with grain size, d, by ad1/2relationship when grain sizes are very small. However, pure GB sliding alone without further plastic accomodation by dislocation emission is grain size independent.},
 file = {/home/aselimov/docs/My Library/files/662/Quek et al. - 2016 - The inverse hall-petch relation in nanocrystalline metals A discrete dislocation dynamics analysis(2).pdf},
 issn = {00225096},
 keyword = {Grain boundary sliding, Discrete dislocation dynamics, Inverse Hall-Petch, Polycrystals}
}

@article{rao_atomistic_2000,
 author = {Rao, S. I. and Hazzledine, P. M.},
 title = {Atomistic simulations of dislocation–interface interactions in the {Cu}-{Ni} multilayer system},
 journal = {Philosophical Magazine A},
 year = {2000},
 month = {September},
 number = {9},
 volume = {80},
 pages = {2011--2040},
 url = {http://www.tandfonline.com/doi/abs/10.1080/01418610008212148},
 doi = {10.1080/01418610008212148},
 abstract = {Abstract Experimental results show that a nanolayered composite structure made of two kinds of metals strengthens dramatically as the layer thickness is reduced. In epitaxial systems, this strengthening has been attributed to the modulus, lattice parameter, gamma surface and slip-plane mismatches between adjacent layers. The modulus mismatch (the Koehler barrier) introduces a force between a dislocation and its image in the interface. The lattice parameter mismatch generates oscillating coherency stresses and van der Merwe misfit dislocations at or near the interfaces, which interact with mobile dislocations. The gamma surface (chemical) mismatch introduces a localized force on gliding dislocations due to core energy changes at or near the interfaces. Slip-plane misorientations across the interfaces require mobile screw dislocations to cross-slip for slip transmission and other dislocations to leave a difference dislocation at the interface. In this paper, atomistic simulations using the embedded-atom met...},
 file = {/home/aselimov/docs/My Library/files/706/Rao, Hazzledine - 2000 - Atomistic simulations of dislocation–interface interactions in the Cu-Ni multilayer system.pdf},
 issn = {0141-8610},
 keyword = {NMM}
}

@article{rawat_modelling_2002,
 author = {Rawat, Sunil and Mitra, Nilanjan and Rawat, Sunil and Mitra, Nilanjan},
 title = {Modelling and {Simulation} in {Materials} {Science} and {Engineering} {Related} content {Instability} of hcp structures in modified embedded atom method {Instability} of hcp structures in modified embedded atom method},
 year = {2002},
 file = {/home/aselimov/docs/My Library/files/624/Rawat et al. - 2002 - Modelling and Simulation in Materials Science and Engineering Related content Instability of hcp structures in mod.pdf}
}

@article{rawat_molecular_2018,
 author = {Rawat, Sunil and Mitra, Nilanjan},
 title = {Molecular dynamics investigation of c-axis deformation of single crystal {Ti} under uniaxial stress conditions: {Evolution} of compression twinning and dislocations},
 journal = {Computational Materials Science},
 year = {2018},
 volume = {141},
 pages = {19--29},
 url = {http://linkinghub.elsevier.com/retrieve/pii/S0927025617304858},
 doi = {10.1016/j.commatsci.2017.09.015},
 file = {/home/aselimov/docs/My Library/files/730/Rawat, Mitra - 2018 - Molecular dynamics investigation of c-axis deformation of single crystal Ti under uniaxial stress conditions Ev(2).pdf},
 issn = {09270256},
 keyword = {alpha-Ti, compression twinning, Kim Potential, Molecular Dynamics, phase transformation}
}

@article{rice_diuision_1967,
 author = {Rice, J R},
 title = {Diuision of {Engineering} {THE} {APPROXIMATE} {ANALYSIS} {OF} {STRAIN} {CONCENTRATION} {BY} {NOTCHES} {AND} {CRACKS} {Department} of {Defense} {Advanced} {Research} {Projects} {Agency} {Contract} {SD}-86 {Material} {Research} {Progyram} {ARPA} {SD}-86 {REPORT} {E39} {May} 1967},
 year = {1967},
 number = {May},
 file = {/home/aselimov/docs/My Library/files/609/Rice - 1967 - A Path Independent Integral and the Approximate Analysis of Strain Concentration by Notches and Cracks(2).pdf}
}

@article{ritchie_mechanisms_1988,
 author = {Ritchie, R. O.},
 title = {Mechanisms of fatigue crack propagation in metals, ceramics and composites: {Role} of crack tip shielding},
 journal = {Materials Science and Engineering},
 year = {1988},
 number = {1},
 volume = {103},
 pages = {15--28},
 doi = {10.1016/0025-5416(88)90547-2},
 abstract = {Crack tip shielding phenomena, whereby the "effective crack-driving force" actually experienced at the crack tip is locally reduced, are examined with reference to fatigue crack propagation behavior in metals, composites and ceramics. Sources of shielding are briefly described in terms of mechanisms relying on the production of elastically constrained zones which envelop the crack (zone shielding), on the generation of wedging, bridging or sliding forces between the crack surfaces (contact shielding) and on crack path deflection and meandering. Examples are taken from the fatigue behavior of high strength lithium-containing aluminum alloys, aluminum alloy-aramid fiber-epoxy laminate composites, and zirconia ceramics. It is shown that, whereas crack tip shielding can provide a potent means of enhancing "resistance" to crack growth, such extrinsic toughening mechanisms can result in the apparently anomalous behavior of "small cracks" and to the susceptibility of brittle materials to fatigue failure. ?? 1988.},
 file = {/home/aselimov/docs/My Library/files/878/Ritchie - 1988 - Mechanisms of fatigue crack propagation in metals, ceramics and composites Role of crack tip shielding(2).pdf},
 issn = {00255416}
}

@article{ross1994electrodeposited,
 author = {Ross, CA},
 title = {Electrodeposited multilayer thin films},
 journal = {Annual Review of Materials Science},
 publisher = {Annual Reviews 4139 El Camino Way, PO Box 10139, Palo Alto, CA 94303-0139, USA},
 year = {1994},
 number = {1},
 volume = {24},
 pages = {159--188}
}

@incollection{roy2009electrochemical,
 author = {Roy, S},
 title = {Electrochemical fabrication of nanostructured, compositionally modulated metal multilayers (CMMMs)},
 publisher = {Springer},
 year = {2009},
 pages = {349--376},
 booktitle = {Electrochemistry at the Nanoscale}
}

@article{rudd_coarse-grained_2005,
 author = {Rudd, Robert and Broughton, Jeremy},
 title = {Coarse-grained molecular dynamics: {Nonlinear} finite elements and finite temperature},
 journal = {Physical Review B},
 year = {2005},
 number = {14},
 volume = {72},
 pages = {1--32},
 url = {http://link.aps.org/doi/10.1103/PhysRevB.72.144104},
 doi = {10.1103/PhysRevB.72.144104},
 abstract = {Coarse-grained molecular dynamics (CGMD) is a technique developed as a concurrent multiscale model that couples conventional molecular dynamics (MD) to a more coarse-grained description of the periphery. The coarse-grained regions are modeled on a mesh in a formulation that},
 file = {/home/aselimov/docs/My Library/files/700/Rudd, Broughton - 2005 - Coarse-grained molecular dynamics Nonlinear finite elements and finite temperature(2).pdf},
 issn = {1098-0121}
}

@article{rudd_concurrent_2000,
 author = {Rudd, R.E. and Broughton, J.Q.},
 title = {Concurrent {Coupling} of {Length} {Scales} in {Solid} {State} {Systems}},
 journal = {Physica Status Solidi (B)},
 year = {2000},
 number = {1},
 volume = {217},
 pages = {251--291},
 url = {http://doi.wiley.com/10.1002/\%28SICI\%291521-3951\%28200001\%29217\%3A1\%3C251\%3A\%3AAID-PSSB251\%3E3.0.CO\%3B2-A},
 doi = {10.1002/(SICI)1521-3951(200001)217:1<251::AID-PSSB251>3.0.CO;2-A},
 abstract = {A strategic objective of computational materials physics is the accurate description of specific materials on length scales spanning the electronic to the macroscopic. We describe progress towards this goal by reviewing a seamless coupling of quantum to statistical to continuum mechanics, involving two models, implemented via parallel algorithms on supercomputers, for unifying finite elements (FE), molecular dynamics (MD) and semi-empirical tight-binding (TB). The first approach, FE/MD/TB Coupling of Length Scales (FE/MD/TB CLS), consists of a hybrid model in which simulations of the three scales are run concurrently with the minimal coupling that guarantees physical consistency. The second approach, Coarse-Grained Molecular Dynamics (CGMD), introduces an effective model, a scale-dependent generalization of finite elements which passes smoothly into molecular dynamics as the mesh is reduced to atomic spacing. These methodologies are illustrated and validated using the examples of crack propagation in silicon and the dynamics of micro-resonators. We also briefly review a number of other approaches to multiscale modeling.},
 file = {/home/aselimov/docs/My Library/files/869/Rudd, Broughton - 2000 - Concurrent Coupling of Length Scales in Solid State Systems(2).pdf},
 issn = {0370-1972}
}

@article{ruestes_atomistic_2017,
 author = {Ruestes, Carlos and Alhafez, Iyad and Urbassek, Herbert and Ruestes, Carlos J. and Alhafez, Iyad Alabd and Urbassek, Herbert M.},
 title = {Atomistic {Studies} of {Nanoindentation}— {A} {Review} of {Recent} {Advances}},
 journal = {Crystals},
 year = {2017},
 month = {September},
 number = {10},
 volume = {7},
 pages = {293},
 url = {http://www.mdpi.com/2073-4352/7/10/293},
 doi = {10.3390/cryst7100293},
 abstract = {This review covers areas where our understanding of the mechanisms underlying nanoindentation has been increased by atomistic studies of the nanoindentation process. While such studies have been performed now for more than 20 years, recent investigations have demonstrated that the peculiar features of nanoplasticity generated during indentation can be analyzed in considerable detail by this technique. Topics covered include: nucleation of dislocations in ideal crystals, effect of surface orientation, effect of crystallography (fcc, bcc, hcp), effect of surface and bulk damage on plasticity, nanocrystalline samples, and multiple (sequential) indentation. In addition we discuss related features, such as the influence of tip geometry on the indentation and the role of adhesive forces, and how pre-existing plasticity affects nanoindentation.},
 file = {/home/aselimov/docs/My Library/files/619/Ruestes et al. - 2017 - Atomistic Studies of Nanoindentation—A Review of Recent Advances.pdf},
 issn = {2073-4352},
 keyword = {molecular dynamics, hardness, nanoindentation}
}

@article{sadananda_role_2001,
 author = {Sadananda, K. and Ramaswamy, Dorai Nirmal V.},
 title = {Role of crack tip plasticity in fatigue crack growth},
 journal = {Philosophical Magazine A: Physics of Condensed Matter, Structure, Defects and Mechanical Properties},
 year = {2001},
 number = {5},
 volume = {81},
 pages = {1283--1303},
 doi = {10.1080/01418610108214441},
 abstract = {Abstract The effect of plasticity ahead of the crack tip as well as behind the crack tip (crack wake plasticity) on the crack tip driving force is examined using a dislocation model. The plastic zone is approximated by a superdislocation, and linear elasticity is assumed. Dislocation effects are computed using the Lin?Thomson equations. The error involved in the superdislocation approximation is shown to be small. Results indicate that the plasticity ahead of the crack tip induces a large retarding force which a crack must overcome for it to grow. The existence of a threshold in K max for fatigue crack growth as illustrated by the unified two-parameter approach can be related to this crack growth resistance. The plasticity behind the crack tip. however, has a negligible effect on the crack tip driving force and therefore has no effect on the K max threshold. Overload effects, underload effects and fatigue crack growth resistance with increasing K are all relatable to the internal stresses arising from the dislocations in the plastic zone. The two thresholds K max, th and ?K th in the unified approach can be related to the effects of monotonic and cyclic plastic zones. Since the effects of plasticity in the wake are negligible, plasticity-induced closure due to crack wake plasticity is also negligible from the dislocation point of view. A three-zone approximation for the plastic enclave around crack tip is shown to be adequate for the description of the role of plasticity in the crack tip driving force.\${\textbackslash}backslash\$nAbstract The effect of plasticity ahead of the crack tip as well as behind the crack tip (crack wake plasticity) on the crack tip driving force is examined using a dislocation model. The plastic zone is approximated by a superdislocation, and linear elasticity is assumed. Dislocation effects are computed using the Lin?Thomson equations. The error involved in the superdislocation approximation is shown to be small. Results indicate that the plasticity ahead of the crack tip induces a large retarding force which a crack must overcome for it to grow. The existence of a threshold in K max for fatigue crack growth as illustrated by the unified two-parameter approach can be related to this crack growth resistance. The plasticity behind the crack tip. however, has a negligible effect on the crack tip driving force and therefore has no effect on the K max threshold. Overload effects, underload effects and fatigue crack growth resistance with increasing K are all relatable to the internal stresses arising from the dislocations in the plastic zone. The two thresholds K max, th and ?K th in the unified approach can be related to the effects of monotonic and cyclic plastic zones. Since the effects of plasticity in the wake are negligible, plasticity-induced closure due to crack wake plasticity is also negligible from the dislocation point of view. A three-zone approximation for the plastic enclave around crack tip is shown to be adequate for the description of the role of plasticity in the crack tip driving force.},
 file = {/home/aselimov/docs/My Library/files/717/Sadananda, Ramaswamy - 2001 - Role of crack tip plasticity in fatigue crack growth(2).pdf},
 issn = {01418610}
}

@article{sakaguchi2013surface,
 author = {Sakaguchi, N and Ohguchi, Y and Shibayama, T and Watanabe, S and Kinoshita, H},
 title = {Surface cracking on $Σ$3, $Σ$9 CSL and random grain boundaries in helium implanted 316L austenitic stainless steel},
 journal = {Journal of nuclear materials},
 publisher = {Elsevier},
 year = {2013},
 number = {1-3},
 volume = {432},
 pages = {23--27}
}

@article{schiotz_maximum_2003,
 author = {Schiotz, Jakob and Jacobsen, Karsten},
 title = {A {Maximum} in the {Strength} of {Nanocrystalline} {Copper}},
 journal = {Science (New York, N.Y.)},
 year = {2003},
 month = {April},
 volume = {301},
 pages = {1357--1359},
 url = {http://www.ncbi.nlm.nih.gov/pubmed/11935012},
 doi = {10.1126/science.1071040},
 abstract = {We used molecular dynamics simulations with system sizes up to 100 million atoms to simulate plastic deformation of nanocrystalline copper. By varying the grain size between 5 and 50 nanometers, we show that the flow stress and thus the strength exhibit a maximum at a grain size of 10 to 15 nanometers. This maximum is because of a shift in the microscopic deformation mechanism from dislocation-mediated plasticity in the coarse-grained material to grain boundary sliding in the nanocrystalline region. The simulations allow us to observe the mechanisms behind the grain-size dependence of the strength of polycrystalline metals.},
 file = {/home/aselimov/docs/My Library/files/718/Schiotz, Jacobsen - 2003 - A Maximum in the Strength of Nanocrystalline Copper.pdf},
 issn = {1095-9203},
 pmid = {11935012}
}

@article{schuh_hall-petch_2002,
 author = {Schuh, C. A. and Nieh, T. G. and Yamasaki, T.},
 title = {Hall-{Petch} breakdown manifested in abrasive wear resistance of nanocrystalline nickel},
 journal = {Scripta Materialia},
 year = {2002},
 number = {10},
 volume = {46},
 pages = {735--740},
 doi = {10.1016/S1359-6462(02)00062-3},
 abstract = {The abrasion resistance of electrodeposited nanocrystalline nickel is investigated using the nanoscratch technique with a ramping load. At the finest grain sizes studied (12-14 nm), a breakdown in Hall-Petch hardening is observed directly in hardness data, as well as indirectly in scratch resistance. The changes in abrasive wear behavior are quantitatively commensurate with the changes in hardness, despite the apparent transition in deformation mechanisms at the finest grain sizes. © 2002 Acta Materialia Inc. Published by Elsevier Science Ltd. All rights reserved.},
 issn = {13596462},
 keyword = {inverse hall-petch, NC, Indentation, Nanocrystalline nickel, Wear}
}

@article{scikit-learn,
 author = {Pedregosa, F. and Varoquaux, G. and Gramfort, A. and Michel, V. and Thirion, B. and Grisel, O. and Blondel, M. and Prettenhofer, P. and Weiss, R. and Dubourg, V. and Vanderplas, J. and Passos, A. and Cournapeau, D. and Brucher, M. and Perrot, M. and Duchesnay, E.},
 title = {Scikit-learn: Machine Learning in {P}ython},
 journal = {Journal of Machine Learning Research},
 year = {2011},
 volume = {12},
 pages = {2825--2830}
}

@inproceedings{shahapure2020cluster,
 author = {Shahapure, Ketan Rajshekhar and Nicholas, Charles},
 title = {Cluster quality analysis using silhouette score},
 year = {2020},
 pages = {747--748},
 booktitle = {2020 IEEE 7th International Conference on Data Science and Advanced Analytics (DSAA)},
 organization = {IEEE}
}

@article{shen_preparation_2018,
 author = {Shen, Lida and Zhao, Kailin and Qiu, Mingbo and Wang, Xin and Fan, Mingzhi},
 title = {Preparation and properties of nano-multilayer films by rotating jet electrodeposition},
 journal = {International Journal of Electrochemical Science},
 year = {2018},
 number = {1},
 volume = {13},
 pages = {984--993},
 doi = {10.20964/2018.01.47},
 abstract = {© 2018 The Authors. In the following paper, Cu-Ni multilayer films were prepared by rotating jet electrodeposition (RJE). The Cu plating solution and the Ni plating solution were sprayed alternately during deposition to the rotating cathode surface through the corresponding nozzle. The cross-sectional morphology, microstructure, microhardness, and wear resistance of multilayer films were measured by scanning electron microscope, X-ray diffractometer, microhardness tester, and depth of field microscope, respectively. The results revealed that this novel method had no limit to the technological conditions and avoided the oxidation of the films which existed within the preparation of multilayer films by conventional electrodeposition. The sublayer boundaries of the obtained multilayer films were clear. A semi-coherent interface was formed between the sublayers. The resulting special structure reinforced the properties of the films. The microhardness of the multilayer films increased as the modulation period decreased. When the modulation period was reduced to less than 100 nm, the hardness increased dramatically. In addition, the wear resistance of multilayer films was improved when the modulation period decreased.},
 file = {/home/aselimov/docs/My Library/files/687/Shen et al. - 2018 - Preparation and properties of nano-multilayer films by rotating jet electrodeposition.pdf},
 issn = {14523981},
 keyword = {Jet electrodeposition, Microhardness, Modulation period, Multilayer films, Wear resistance}
}

@article{shewchuk_introduction_1994,
 author = {Shewchuk, Jonathan Richard},
 title = {An {Introduction} to the {Conjugate} {Gradient} {Method} {Without} the {Agonizing} {Pain}},
 journal = {Science},
 year = {1994},
 number = {CS-94-125},
 volume = {49},
 pages = {64},
 url = {http://citeseerx.ist.psu.edu/viewdoc/download?doi=10.1.1.110.418\&rep=rep1\&type=pdf\%5Cnhttp://www.cs.cmu.edu/ quake-papers/painless-conjugate-gradient.pdf},
 doi = {10.1.1.110.418},
 abstract = {The Conjugate Gradient Method is the most prominent iterative method for solving sparse systems of linear equations. Unfortunately, many textbook treatments of the topic are written with neither illustrations nor intuition, and their victims can be found to this day babbling senselessly in the corners of dusty libraries. For this reason, a deep, geometric understanding of the method has been reserved for the elite brilliant few who have painstakingly decoded the mumblings of their forebears. Nevertheless, the Conjugate Gradient Method is a composite of simple, elegant ideas that almost anyone can understand. Of course, a reader as intelligent as yourself will learn them almost effortlessly. The idea of quadratic forms is introduced and used to derive the methods of Steepest Descent, Conjugate Directions, and Conjugate Gradients. Eigenvectors are explained and used to examine the convergence of the Jacobi Method, Steepest Descent, and Conjugate Gradients. Other topics include preconditioning and the nonlinear Conjugate Gradient Method. I have taken pains to make this article easy to read. Sixty-six illustrations are provided. Dense prose is avoided. Concepts are explained in several differentways. Most equations are coupled with an intuitive interpretation.},
 file = {/home/aselimov/docs/My Library/files/692/painless-conjugate-gradient.pdf},
 issn = {14708728},
 keyword = {1, 2, 5, agonizing pain, conjugate gradient method, convergence analysis, eigen do, eigenvalues, i try, jacobi iterations, preconditioning, thinking with eigenvectors},
 pmid = {17348934}
}

@article{smirnov_introduction_2008,
 author = {Smirnov, Draft A V},
 title = {An introduction to tensor calculus, relativity, and cosmology},
 journal = {Acta Applicandae Mathematicae},
 year = {2008},
 number = {2},
 volume = {11},
 pages = {193--195},
 doi = {10.1007/BF00047288},
 abstract = {I wrote this book in a "do-it-yourself" style so that I give only a draft of tensor theory, which includes formulating definitions and theorems and giving basic ideas and formulas. All other work such as proving consistence of definitions, deriving formulas, proving theorems or completing details to proofs is left to the reader in the form of numerous exercises. I hope that this style makes learning the subject really quick and more effective for understanding and memorizing.},
 file = {/home/aselimov/docs/My Library/files/866/Smirnov - 2008 - An introduction to tensor calculus, relativity, and cosmology(2).pdf},
 issn = {0167-8019},
 pmid = {12934667}
}

@article{sobie_modal_2017,
 author = {Sobie, Cameron and Capolungo, Laurent and McDowell, David L. and Martinez, Enrique},
 title = {Modal {Analysis} of {Dislocation} {Vibration} and {Reaction} {Attempt} {Frequency}},
 journal = {Acta Materialia},
 year = {2017},
 volume = {134},
 pages = {203--210},
 url = {http://dx.doi.org/10.1016/j.atmosenv.2014.01.021},
 doi = {10.1016/j.atmosenv.2014.01.021},
 file = {/home/aselimov/docs/My Library/files/647/Sobie et al. - 2017 - Modal Analysis of Dislocation Vibration and Reaction Attempt Frequency(2).pdf},
 issn = {1352-2310}
}

@article{sobie_scale_2017,
 author = {Sobie, Cameron and Capolungo, Laurent and McDowell, David L. and Martinez, Enrique},
 title = {Scale transition using dislocation dynamics and the nudged elastic band method},
 journal = {Journal of the Mechanics and Physics of Solids},
 year = {2017},
 volume = {105},
 pages = {161--178},
 url = {http://linkinghub.elsevier.com/retrieve/pii/S0022509616301296},
 doi = {10.1016/j.jmps.2017.05.004},
 file = {/home/aselimov/docs/My Library/files/695/Sobie et al. - 2017 - Scale transition using dislocation dynamics and the nudged elastic band method(2).pdf},
 issn = {00225096}
}

@article{sobie_thermal_2017,
 author = {Sobie, Cameron and Capolungo, Laurent and McDowell, David L. and Martinez, Enrique},
 title = {Thermal activation of dislocations in large scale obstacle bypass},
 journal = {Journal of the Mechanics and Physics of Solids},
 year = {2017},
 volume = {105},
 pages = {150--160},
 doi = {10.1016/j.jmps.2017.05.003},
 abstract = {Dislocation dynamics simulations have been used extensively to predict hardening caused by dislocation-obstacle interactions, including irradiation defect hardening in the athermal case. Incorporating the role of thermal energy on these interactions is possible with a framework provided by harmonic transition state theory (HTST) enabling direct access to thermally activated reaction rates using the Arrhenius equation, including rates of dislocation-obstacle bypass processes. Moving beyond unit dislocation-defect reactions to a representative environment containing a large number of defects requires coarse-graining the activation energy barriers of a population of obstacles into an effective energy barrier that accurately represents the large scale collective process. The work presented here investigates the relationship between unit dislocation-defect bypass processes and the distribution of activation energy barriers calculated for ensemble bypass processes. A significant difference between these cases is observed, which is attributed to the inherent cooperative nature of dislocation bypass processes. In addition to the dislocation-defect interaction, the morphology of the dislocation segments pinned to the defects play an important role on the activation energies for bypass. A phenomenological model for activation energy stress dependence is shown to describe well the effect of a distribution of activation energies, and a probabilistic activation energy model incorporating the stress distribution in a material is presented.},
 file = {/home/aselimov/docs/My Library/files/879/Sobie et al. - 2017 - Thermal activation of dislocations in large scale obstacle bypass(2).pdf},
 issn = {00225096}
}

@article{streitz_surface-stress_1994,
 author = {Streitz, F. H. and Cammarata, R. C. and Sieradzki, K.},
 title = {Surface-stress effects on elastic properties. {II}. {Metallic} multilayers},
 journal = {Physical Review B},
 year = {1994},
 month = {April},
 number = {15},
 volume = {49},
 pages = {10707--10716},
 url = {https://link.aps.org/doi/10.1103/PhysRevB.49.10707},
 doi = {10.1103/PhysRevB.49.10707},
 file = {/home/aselimov/docs/My Library/files/837/Streitz, Cammarata, Sieradzki - 1994 - Surface-stress effects on elastic properties. II. Metallic multilayers.pdf},
 issn = {0163-1829}
}

@article{stueber_concepts_2009,
 author = {Stueber, M. and Holleck, H. and Leiste, H. and Seemann, K. and Ulrich, S. and Ziebert, C.},
 title = {Concepts for the design of advanced nanoscale {PVD} multilayer protective thin films},
 journal = {Journal of Alloys and Compounds},
 year = {2009},
 month = {August},
 number = {1-2},
 volume = {483},
 pages = {321--333},
 url = {https://www.sciencedirect.com/science/article/pii/S0925838808018781},
 doi = {10.1016/J.JALLCOM.2008.08.133},
 abstract = {Technological challenges in future surface engineering applications demand continuously new material solutions offering superior properties and performance. Concepts for the design of such advanced multifunctional materials can be systematically evolved and verified by means of physical vapour deposition. The classical multilayer coating concept today is well established and widely used for the design of protective thin films for wear and tribological applications. It has proven great potential for the development of novel thin film materials with tailored properties. In the past decade, the emerging new class of nanoscale coatings has offered to the material scientists an even more powerful toolbox for the engineering thin film design through a combination of the multilayer concept with new nano-coatings. Some examples are the use and integration of low friction carbon-based nanocomposites in advanced multilayer structures or the stabilization of a specific coating in another structure in a nanolaminated multilayer composite. This paper reviews the latest developments in hard, wear-resistant thin films based on the multilayer coating concept. It describes the integration of nanocrystalline, amorphous and nanocrystalline/amorphous composite materials in multilayers and covers various phenomena such as the superlattice effect, stabilization of materials in another, foreign structure, and effects related to coherent and epitaxial growth. Innovative concepts for future, smart multilayer designs based on an extremely fine structural ordering at the nanoscale are presented as well.},
 file = {/home/aselimov/docs/My Library/files/675/Stueber et al. - 2009 - Concepts for the design of advanced nanoscale PVD multilayer protective thin films.pdf},
 issn = {0925-8388},
 keyword = {NMM, PVD}
}

@article{stukowski_automated_2012,
 author = {Stukowski, Alexander and Bulatov, Vasily V and Arsenlis, Athanasios},
 title = {Automated identification and indexing of dislocations in crystal interfaces},
 journal = {Modelling and Simulation in Materials Science and Engineering},
 year = {2012},
 month = {December},
 number = {8},
 volume = {20},
 pages = {085007},
 url = {http://stacks.iop.org/0965-0393/20/i=8/a=085007?key=crossref.f9ca36d5353ac80ccfbbfd992a3fd702},
 doi = {10.1088/0965-0393/20/8/085007},
 file = {/home/aselimov/docs/My Library/files/684/Stukowski, Bulatov, Arsenlis - 2012 - Automated identification and indexing of dislocations in crystal interfaces.pdf},
 issn = {0965-0393}
}

@article{stukowski_computational_2014,
 author = {Stukowski, Alexander},
 title = {Computational analysis methods in atomistic modeling of crystals},
 journal = {JOM},
 year = {2014},
 month = {March},
 number = {3},
 volume = {66},
 pages = {399--407},
 url = {http://link.springer.com/10.1007/s11837-013-0827-5},
 doi = {10.1007/s11837-013-0827-5},
 abstract = {This article discusses computational analysis methods typically used in atomistic modeling of crystalline materials and highlights recent developments that can provide better insights into processes at the atomic scale. Topics include the classification of local atomic structures, the transition from atomistics to mesoscale and continuum-scale descriptions, and the automated identification of dislocations in atomistic simulation data.},
 file = {/home/aselimov/docs/My Library/files/842/Stukowski - 2014 - Computational Analysis Methods in Atomistic Modeling of Crystals.pdf},
 issn = {10474838},
 keyword = {DXA}
}

@article{stukowski_dislocation_2010,
 author = {Stukowski, Alexander and Albe, Karsten},
 title = {Dislocation detection algorithm for atomistic simulations},
 journal = {Modelling and Simulation in Materials Science and Engineering},
 year = {2010},
 month = {March},
 number = {2},
 volume = {18},
 pages = {025016},
 url = {http://stacks.iop.org/0965-0393/18/i=2/a=025016?key=crossref.10589df14cbea9ffd0baaf4f8e1ebad4},
 doi = {10.1088/0965-0393/18/2/025016},
 file = {/home/aselimov/docs/My Library/files/697/Stukowski, Albe - 2010 - Dislocation detection algorithm for atomistic simulations.pdf},
 issn = {0965-0393}
}

@article{stukowski_elasticplastic_2012,
 author = {Stukowski, A and Arsenlis, A},
 title = {On the elastic–plastic decomposition of crystal deformation at the atomic scale},
 journal = {Modelling and Simulation in Materials Science and Engineering},
 year = {2012},
 month = {April},
 number = {3},
 volume = {20},
 pages = {035012},
 url = {http://stacks.iop.org/0965-0393/20/i=3/a=035012?key=crossref.b6b25e8fe841073c7ceeb44ff7f12c4b},
 doi = {10.1088/0965-0393/20/3/035012},
 abstract = {Given two snapshots of an atomistic system, taken at different stages of the deformation process, one can compute the incremental deformation gradient field, F, as defined by continuum mechanics theory, from the displacements of atoms. However, such a kinematic analysis of the total deformation does not reveal the respective contributions of elastic and plastic deformation. We develop a practical technique to perform the multiplicative decomposition of the deformation field, F = FeFp, into elastic and plastic parts for the case of crystalline materials. The described computational analysis method can be used to quantify plastic deformation in a material due to crystal slip- based mechanisms in molecular dynamics and molecular statics simulations. The knowledge of the plastic deformation field, Fp, and its variation with time can provide insight into the number, motion and localization of relevant crystal defects such as dislocations. The computed elastic field, Fe, provides information about inhomogeneous lattice strains and lattice rotations induced by the presence of defects.},
 file = {/home/aselimov/docs/My Library/files/646/Stukowski, Arsenlis - 2012 - On the elastic–plastic decomposition of crystal deformation at the atomic scale.pdf},
 issn = {0965-0393},
 keyword = {DXA}
}

@article{stukowski_triangulation-based_2014,
 author = {Stukowski, Alexander},
 title = {A triangulation-based method to identify dislocations in atomistic models},
 journal = {Journal of the Mechanics and Physics of Solids},
 year = {2014},
 month = {October},
 volume = {70},
 pages = {314--319},
 url = {https://www.sciencedirect.com/science/article/pii/S0022509614001331},
 doi = {10.1016/J.JMPS.2014.06.009},
 abstract = {A simple, efficient, and fully automated computer algorithm is described that identifies dislocations in atomistic crystal models and determines their Burgers vectors. To achieve this, the algorithm maps the edges of a Delaunay tessellation to corresponding vectors in an ideal crystal. Dislocations are identified by detecting incompatibilities in this discrete elastic mapping using triangular Burgers circuits. While the presented method is limited to single crystals, it stands out due to its simplicity, straightforward implementation, and computational efficiency. It can provide a bridge from atomistic descriptions of crystals to mesoscale models based on discrete dislocation lines.},
 file = {/home/aselimov/docs/My Library/files/829/Stukowski - 2014 - A triangulation-based method to identify dislocations in atomistic models.pdf},
 issn = {0022-5096}
}

@article{subedi_strength_2018,
 author = {Subedi, Samikshya and Beyerlein, Irene J. and LeSar, Richard and Rollett, Anthony D.},
 title = {Strength of nanoscale metallic multilayers},
 journal = {Scripta Materialia},
 year = {2018},
 volume = {145},
 pages = {132--136},
 url = {https://doi.org/10.1016/j.scriptamat.2017.04.009},
 doi = {10.1016/j.scriptamat.2017.04.009},
 abstract = {The relationship between microstructure, dislocation motion and mechanical response of metallic multilayered nanomaterials is investigated. Several competing theories for the dependence of hardness on layer thickness, namely Confined Layer Slip (CLS) and Hall-Petch (H-P) theories are discussed. Analysis of homophase and heterophase experimental data suggests that Hall-Petch with modified coefficients provides a good fit down to layer thicknesses of about 5 nm, below which experimental data starts to deviate. We suggest that at this layer thickness, dislocations accumulate in the interface, and assuming there is a constant dislocation density in each interface, the strength varies as h−1/2.},
 file = {/home/aselimov/docs/My Library/files/685/Strenght of nanoscale metallic multilayers.pdf},
 issn = {13596462},
 keyword = {Dislocation, Nanocomposites, Confined layer slip, Hall-Petch, Modified Hall-Petch}
}

@article{subramaniyan_continuum_2008,
 author = {Subramaniyan, Arun K. and Sun, C.T.},
 title = {Continuum interpretation of virial stress in molecular simulations},
 journal = {International Journal of Solids and Structures},
 year = {2008},
 month = {July},
 number = {14-15},
 volume = {45},
 pages = {4340--4346},
 url = {https://www.sciencedirect.com/science/article/pii/S0020768308001248},
 doi = {10.1016/J.IJSOLSTR.2008.03.016},
 abstract = {The equivalence of the virial stress and Cauchy stress is reviewed using both theoretical arguments and numerical simulations. Using thermoelasticity problems as examples, we numerically demonstrate that virial stress is equivalent to the continuum Cauchy stress. Neglecting the velocity terms in the definition of virial stress as many authors have recently suggested, can cause significant errors in interpreting MD simulation results at elevated temperatures (T{\textbackslash}textgreater0K).},
 file = {/home/aselimov/docs/My Library/files/661/Subramaniyan, Sun - 2008 - Continuum interpretation of virial stress in molecular simulations.pdf},
 issn = {0020-7683}
}

@article{sun_disconnections_2018,
 author = {Sun, X. Y. and Fressengeas, C. and Taupin, V. and Cordier, P. and Combe, N.},
 title = {Disconnections, dislocations and generalized disclinations in grain boundary ledges},
 journal = {International Journal of Plasticity},
 year = {2018},
 number = {October 2017},
 pages = {0--1},
 url = {http://dx.doi.org/10.1016/j.ijplas.2018.02.003},
 doi = {10.1016/j.ijplas.2018.02.003},
 abstract = {The structure of ledges in otherwise symmetrical tilt boundaries built from atomistic simulations is investigated in copper in terms of continuous dislocation and generalized disclination fields. A ”discrete-to-continuum" crossover method is used to build the relevant kinematic and defect density fields on the basis of discrete atomic displacements appropriately defined in the boundary area. The resulting structure of incompatibility is compared with the so-called disconnection model of boundary ledges. In addition to their dislocation content, which characterizes the elastic displacement discontinuity across the boundary, the ledges appear to be characterized by discontinuities of the elastic rotation and dilatation fields, which are reflected by non-vanishing generalized disclination density fields.},
 file = {/home/aselimov/docs/My Library/files/665/Disconnections, dislocations and generalized siclinations in grain boundary ledges.pdf},
 issn = {07496419}
}

@book{tadmor2011modeling,
 author = {Tadmor, Ellad},
 title = {Modeling materials : continuum, atomistic, and multiscale techniques},
 publisher = {Cambridge University Press},
 year = {2011},
 address = {Cambridge New York},
 isbn = {0521856981}
}

@article{tallman_reconciled_2017,
 author = {Tallman, Aaron E. and Swiler, Laura P. and Wang, Yan and McDowell, David L.},
 title = {Reconciled top-down and bottom-up hierarchical multiscale calibration of bcc {Fe} crystal plasticity},
 journal = {International Journal for Multiscale Computational Engineering},
 year = {2017},
 number = {6},
 volume = {15},
 pages = {505--523},
 url = {http://www.dl.begellhouse.com/journals/61fd1b191cf7e96f,627d179355a817c7,7b620f4e4bebdfac.html},
 doi = {10.1615/IntJMultCompEng.2017021859},
 file = {/home/aselimov/docs/My Library/files/832/Tallman et al. - 2017 - RECONCILED TOP-DOWN AND BOTTOM-UP HIERARCHICAL MULTISCALE CALIBRATION OF BCC FE CRYSTAL PLASTICITY.pdf},
 issn = {1543-1649},
 keyword = {constrained optimization, multiscale calibration, surrogate modeling}
}

@article{tasan2015overview,
 author = {Tasan, Cemal Cem and Diehl, Martin and Yan, Dingshun and Bechtold, Marion and Roters, Franz and Schemmann, Lars and Zheng, Chengwu and Peranio, Nicola and Ponge, Dirk and Koyama, Motomichi and others, },
 title = {An overview of dual-phase steels: advances in microstructure-oriented processing and micromechanically guided design},
 journal = {Annual Review of Materials Research},
 publisher = {Annual Reviews},
 year = {2015},
 volume = {45},
 pages = {391--431}
}

@article{tench_tensile_1991,
 author = {Tench, D. M. and White, J. T.},
 title = {Tensile {Properties} of {Nanostructured} {Ni}-{Cu} {Multilayered} {Materials} {Prepared} by {Electrodeposition}},
 journal = {Journal of The Electrochemical Society},
 year = {1991},
 month = {December},
 number = {12},
 volume = {138},
 pages = {3757},
 url = {http://jes.ecsdl.org/cgi/doi/10.1149/1.2085495},
 doi = {10.1149/1.2085495},
 file = {/home/aselimov/docs/My Library/files/855/Tench, White - 1991 - Tensile Properties of Nanostructured Ni-Cu Multilayered Materials Prepared by Electrodeposition.pdf},
 issn = {00134651}
}

@article{trinkaus1994high,
 author = {Trinkaus, H and Ullmaier, H},
 title = {High temperature embrittlement of metals due to helium: is the lifetime dominated by cavity growth or crack growth?},
 journal = {Journal of nuclear materials},
 publisher = {Elsevier},
 year = {1994},
 volume = {212},
 pages = {303--309}
}

@phdthesis{tschopp_atomistic_2007,
 author = {Tschopp, Mark A.},
 title = {Atomistic {Simulations} of {Dislocation} {Nucleation} in {Single} {Crystals} and {Grain} {Boundaries} {Atomistic} {Simulations} of {Dislocation} {Nucleation}},
 year = {2007},
 abstract = {The objective of this research is to use atomistic simulations to investigate dislocation nucleation from grain boundaries in face-centered cubic aluminum and copper. This research primarily focuses on asymmetric tilt grain boundaries and has three main components. First, this research uses molecular statics simulations of the structure and energy of these faceted, dissociated grain boundary structures to show that {\textbackslash}pounds3 asymmetric boundaries can be decomposed into the structural units of the {\textbackslash}pounds3 symmetric tilt grain boundaries, i.e., the coherent and incoherent twin boundaries. Moreover, the energy for all {\textbackslash}pounds3 asymmetric boundaries is predicted with only the energies of the {\textbackslash}pounds3 symmetric boundaries and the inclination angle. Understanding the structure of these boundaries provides insight into dislocation nucleation from these boundaries. Further work into the structure and energy of other low order {\textbackslash}pounds asymmetric boundaries and the spatial distribution of free volume within the grain boundaries also provides insight into dislocation nucleation mechanisms. Second, this research uses molecular dynamics deformation simulations with uniaxial tension applied perpendicular to these boundaries to show that the dislocation nucleation mechanisms in asymmetric boundaries are highly dependent on the faceted, dissociated structure. Grain boundary dislocation sources can act as perfect sources/sinks for dislocations or may violate this premise by increasing the dislocation content of the boundary during nucleation. Furthermore, simulations under uniaxial tension and uniaxial compression show that nucleation of the second partial dislocation in copper exhibits tension-compression asymmetry. Third, this research explores the development of models that incorporate the resolved stress components on the slip system of dislocation nucleation to predict the atomic stress required for dislocation nucleation from single crystals and grain boundaries. Single crystal simulations of homogeneous dislocation nucleation help define the role of lattice orientation on the nucleation stress for grain boundaries. The resolved stress normal to the slip plane on which the dislocation nucleates plays an integral role in the dislocation nucleation stress and related mechanisms. In summary, the synthesis of various aspects of this work has provided improved understanding of how the grain boundary character influences dislocation nucleation in bicrystals, with possible implications for nanocrystalline materials.},
 file = {/home/aselimov/docs/My Library/files/618/Tschopp - 2007 - Atomistic Simulations of Dislocation Nucleation in Single Crystals and Grain Boundaries Atomistic Simulations of Dis(3).pdf},
 school = {Georgia Institute of Technology}
}

@article{tschopp_atomistic_2008,
 author = {Tschopp, M.A. and Tucker, G.J. and McDowell, D.L.},
 title = {Atomistic simulations of tension–compression asymmetry in dislocation nucleation for copper grain boundaries},
 journal = {Computational Materials Science},
 year = {2008},
 month = {December},
 number = {2},
 volume = {44},
 pages = {351--362},
 url = {https://www.sciencedirect.com/science/article/pii/S0927025608001870},
 doi = {10.1016/J.COMMATSCI.2008.03.041},
 abstract = {Atomistic simulations are used to investigate how grain boundary structure influences dislocation nucleation under uniaxial tension and compression for a specific class of symmetric tilt grain boundaries that contain the E structural unit. After obtaining the minimum energy grain boundary structure, molecular dynamics was employed based on an embedded-atom method potential for copper at 10K. Results show several differences in dislocation nucleation with respect to uniaxial tension and compression. First, the average nucleation stress for all 〈110〉 symmetric tilt grain boundaries is over three times greater in compression than in tension for both the high strain rate and quasistatic simulations. Second, partial dislocations nucleate from the boundary on the \{111\} slip plane under uniaxial tension. However, partial and full dislocations nucleate from the boundary on the \{100\} and \{111\} slip planes under uniaxial compression. The full dislocation nucleation on the \{100\} plane for boundaries with misorientations near the coherent twin boundary is explained through the higher resolved shear stress on the \{100\} plane compared to the \{111\} plane. Last, individual dislocation nucleation mechanisms under uniaxial tension and compression are analyzed. For the vicinal twin boundary under tension, the grain boundary partial dislocation is emitted into the lattice on the same \{111\} plane that it dissociated onto. For compression of the vicinal twin, the 1/3〈111 〉 disconnection is removed through full dislocation emission on the \{100\} plane and partial dislocation emission parallel to the coherent twin boundary plane, restoring the boundary to the coherent twin. For the $\Sigma$19 boundary, the nearly simultaneous emission of numerous partial dislocations from the boundary result in the formation of the hexagonal close-packed (HCP) phase.},
 file = {/home/aselimov/docs/My Library/files/629/Tschopp, Tucker, McDowell - 2008 - Atomistic simulations of tension–compression asymmetry in dislocation nucleation for copper grain b.pdf},
 issn = {0927-0256}
}

@phdthesis{tucker2011atomistic,
 author = {Tucker, Garritt J},
 title = {Atomistic simulations of defect nucleation and free volume in nanocrystalline materials},
 year = {2011},
 school = {Georgia Institute of Technology}
}

@article{varvenne2016average,
 author = {Varvenne, Céline and Luque, Aitor and Nöhring, Wolfram G and Curtin, William A},
 title = {Average-atom interatomic potential for random alloys},
 journal = {Physical Review B},
 publisher = {APS},
 year = {2016},
 number = {10},
 volume = {93},
 pages = {104201}
}

@article{verdier2001some,
 author = {Verdier, M and Gilles, B and Fivel, M},
 title = {Some investigations on the effect of layer thickness in multilayer metal composites on mechanical properties},
 journal = {Advanced Engineering Materials},
 year = {2001},
 volume = {3}
}

@article{villacampa2018helium,
 author = {Villacampa, I and Chen, JC and Spätig, P and Seifert, HP and Duval, F},
 title = {Helium bubble evolution and hardening in 316L by post-implantation annealing},
 journal = {Journal of nuclear materials},
 publisher = {Elsevier},
 year = {2018},
 volume = {500},
 pages = {389--402}
}

@article{voter_accurate_1986,
 author = {Voter, Arthur F and Chen, Shao Ping},
 title = {Accurate interatomic potentials for {Ni}, {Al}, and {Ni3Al}},
 journal = {MRS Online Proceedings Library Archive},
 year = {1986},
 volume = {82},
 pages = {175--180},
 abstract = {To obtain meaningful results from atomistic simulations of materials, the interatomic potentials must be capable of reproducing the thermodynamic properties of the system of interest. Pairwise potentials have known deficiencies that make them unsuitable for quantitative investigations of defective regions such as crack tips and free surfaces. Daw and Baskes [Phys. Rev. B 29, 6443 (1984)] have shown that including a local "volume" term for each atom gives the necessary many-body character without the severe computational dependence of explicit n-body potential terms. Using a similar approach, we have fit an interatomic potential to the Ni3Al alloy system. This potential can treat diatomic Ni2, diatomic Al2 , fcc Ni, fcc Al and L12 Ni Al on an equal footing. Details of the fitting procedure are presented, along with the calculation of some properties not included in the fit. INTRODUCTION},
 file = {/home/aselimov/docs/My Library/files/853/Voter, Chen - 1986 - Accurate interatomic potentials for Ni, Al, and Ni3Al.pdf}
}

@article{wang2008phase,
 author = {Wang, Jian and Hoagland, Richard G and Misra, Amit},
 title = {Phase transition and dislocation nucleation in Cu--Nb layered composites during physical vapor deposition},
 journal = {Journal of Materials Research},
 publisher = {Cambridge University Press},
 year = {2008},
 number = {4},
 volume = {23},
 pages = {1009--1014}
}

@article{wang_atomistic_2008,
 author = {Wang, J. and Hoagland, R. G. and Hirth, J. P. and Misra, A.},
 title = {Atomistic modeling of the interaction of glide dislocations with "weak" interfaces},
 journal = {Acta Materialia},
 year = {2008},
 number = {19},
 volume = {56},
 pages = {5685--5693},
 url = {http://dx.doi.org/10.1016/j.actamat.2008.07.041},
 doi = {10.1016/j.actamat.2008.07.041},
 abstract = {Using atomistic modeling and anisotropic elastic theory, the interaction of glide dislocations with interfaces in a model Cu-Nb system was explored. The incoherent Cu-Nb interfaces have relatively low shear strength and are referred to as "weak" interfaces. This work shows that such interfaces are very strong traps for glide dislocations and, thus, effective barriers for slip transmission. The key aspects of the glide dislocation-interface interactions are as follows. (i) The weak interface is readily sheared under the stress field of an impinging glide dislocation. (ii) The sheared interface generates an attractive force on the glide dislocation, leading to the absorption of dislocation in the interface. (iii) Upon entering the interface, the glide dislocation core readily spreads into an intricate pattern within the interface. Consequently, the glide dislocations in both Cu and Nb crystals are energetically favored to enter the interface when they are located within 1.5 nm from the interface. In addition to the trapping of dislocations in weak interfaces, this paper also discusses geometric factors such as the crystallographic discontinuity of slip systems across the Cu/Nb interfaces, which contribute to the difficulty of dislocation transmission across an interface. The implications of these findings to the unusually high strengths experimentally measured in Cu/Nb nanolayered composites are discussed.},
 file = {/home/aselimov/docs/My Library/files/645/Wang et al. - 2008 - Atomistic modeling of the interaction of glide dislocations with weak interfaces(2).pdf;Wang-2008-Acta-Materialia.pdf:/home/aselimov/Literature/Wang-2008-Acta-Materialia.pdf},
 issn = {13596454},
 keyword = {Dislocation, Molecular dynamics, Interfaces, Multilayers, Slip transmission},
 pmid = {261347500031}
}

@article{wang_frank_2013,
 author = {Wang, Shuaichuang and Lu, Guo and Zhang, Guangcai},
 title = {A {Frank} scheme of determining the {Burgers} vectors of dislocations in a {FCC} crystal},
 journal = {Computational Materials Science},
 year = {2013},
 month = {February},
 volume = {68},
 pages = {396--401},
 url = {https://www.sciencedirect.com/science/article/pii/S0927025612006465},
 doi = {10.1016/J.COMMATSCI.2012.10.042},
 abstract = {A Frank scheme based on the Thompson's tetrahedron is developed to calculate the Burgers vector of dislocations in a face-centered cubic (FCC) crystal during its plastic deformation. A Burgers circuit is located firstly in a deformed crystal with a reference circle surrounding one or more dislocations. The atom-to-atom sequence in a dislocation-free crystal corresponding to the Burgers circuit is determined not from a local reference lattice, but from the edge vectors of the Thompson's tetrahedron and its mirrors. The final Burgers vector obtained by its Frank definition is accurate, regardless of the position, size and normal direction of the initial reference circle, as long as the same dislocations are surrounded. The present method is validated in determining the Burgers vectors for the dissociation of a perfect dislocation and for the complex reactions of the dislocations from a nanovoid in a deformed crystal under a uniaxial tensile loading.},
 file = {/home/aselimov/docs/My Library/files/674/Wang, Lu, Zhang - 2013 - A Frank scheme of determining the Burgers vectors of dislocations in a FCC crystal.pdf},
 issn = {0927-0256}
}

@article{wang_interface_2014,
 author = {Wang, J. and Zhang, R. F. and Zhou, C. Z. and Beyerlein, I. J. and Misra, A.},
 title = {Interface dislocation patterns and dislocation nucleation in face-centered-cubic and body-centered-cubic bicrystal interfaces},
 journal = {International Journal of Plasticity},
 year = {2014},
 volume = {53},
 pages = {40--55},
 url = {http://dx.doi.org/10.1016/j.ijplas.2013.07.002},
 doi = {10.1016/j.ijplas.2013.07.002},
 abstract = {Nanolayered metallic composites exhibit unusual high strength at the layer thickness in nanometers. Plastic deformation including nucleation, glide, and transmission of dislocations is strongly related to interface structure and properties. Combining atomistic simulations with the classical Frank-Bilby theory, we studied dislocation structures of semi-coherent interfaces between face-centered-cubic (fcc) and body-centered-cubic (bcc) crystals. An atomically informed Frank-Bilby theory is proposed for quantitative analysis of interface dislocations. The results showed that (1) seven sets of interface dislocations are present in the Nishiyama-Wasserman (NW) interface and two sets of interface dislocation in the Kurdjumov-Sachs (KS) interface although they are misoriented by only ∼5.6; (2) Burgers vectors of interface dislocations can be well defined in a commensurate/coherent dichromatic pattern (CDP) lattice corresponding to the NW interface and the Rotation CDP (RCDP) lattice corresponding to the KS interface; (3) the CDP and RCDP lattices are not simply a geometric average of the two natural lattices; finally we demonstrated that (4) the nucleation of dislocations, including interface dislocation loops corresponding to interface sliding and lattice dislocation loops corresponding to plastic deformation in crystals, are strongly correlated with interface dislocation patterns. © 2013 Elsevier Ltd. All rights reserved.},
 file = {/home/aselimov/docs/My Library/files/719/Wang et al. - 2014 - Interface dislocation patterns and dislocation nucleation in face-centered-cubic and body-centered-cubic bicrystal.pdf},
 issn = {07496419},
 keyword = {Dislocation, Atomistic simulation, Interface, Frank-Bilby}
}

@article{wang_material_2012,
 author = {Wang, Irene},
 title = {Material {Characterization} of {Electrodeposited} {Copper}-{Nickel} {Nanolaminated} {Alloy} by {SEM}, {EDS}, and {XRD}},
 year = {2012},
 month = {September},
 url = {https://digital.lib.washington.edu/researchworks/handle/1773/20802},
 abstract = {Thesis (Master's)–University of Washington, 2012},
 file = {/home/aselimov/docs/My Library/files/683/Wang - 2012 - Material Characterization of Electrodeposited Copper-Nickel Nanolaminated Alloy by SEM, EDS, and XRD.pdf},
 keyword = {characterization, Cu-Ni, EDS, Engineering, Materials Science, Materials science and engineering, nanolaminate, SEM, XRD}
}

@article{wang_strong_2015,
 author = {Wang, Jiangwei and Sansoz, Frederic and Deng, Chuang and Xu, Gang and Han, Gaorong and Mao, Scott X.},
 title = {Strong {Hall}-{Petch} {Type} {Behavior} in the {Elastic} {Strain} {Limit} of {Nanotwinned} {Gold} {Nanowires}},
 journal = {Nano Letters},
 year = {2015},
 number = {6},
 volume = {15},
 pages = {3865--3870},
 doi = {10.1021/acs.nanolett.5b00694},
 abstract = {© 2015 American Chemical Society.Pushing the limits of elastic deformation in nanowires subjected to stress is important for the design and performance of nanoscale devices from elastic strain engineering. Particularly, introducing nanoscale twins has proved effective in rising the tensile strength of metals. However, attaining ideal elastic strains in nanotwinned materials remains challenging, because nonuniform twin sizes locally affect the yielding behavior. Here, using in situ high-resolution transmission electron microscopy tensile testing of nanotwinned [111]-oriented gold nanowires, we report direct lattice-strain measurements that demonstrate a strong Hall-Petch type relationship in the elastic strain limit up to 5.3\\%, or near the ideal theoretical limit, as the twin size is decreased below 3 nm. It is found that the largest twin in nanowires with irregular twin sizes controls the slip nucleation and yielding processes in pure tension, which is in agreement with earlier atomistic simulations. Continuous hardening behavior without loss of strength or softening is observed in nanotwinned single-crystalline gold nanowires, which differs from the behaviors of bulk nanocrystalline and nanotwinned-nanocrystalline metals. These findings are of practical value for the use of nanotwinned metallic and semiconductor nanowires in strain-engineered functional microdevices. (Graph Presented.)},
 file = {/home/aselimov/docs/My Library/files/673/Wang et al. - 2015 - Strong Hall-Petch Type Behavior in the Elastic Strain Limit of Nanotwinned Gold Nanowires.pdf},
 issn = {15306992},
 keyword = {elastic strain engineering, Hall-Petch hardening, ideal elastic strain limit, in situ transmission electron microscopy, metallic nanowires, Nanotwin}
}

@article{warner_atomistic_2006,
 author = {Warner, D. H. and Sansoz, F. and Molinari, J. F.},
 title = {Atomistic based continuum investigation of plastic deformation in nanocrystalline copper},
 journal = {International Journal of Plasticity},
 year = {2006},
 number = {4},
 volume = {22},
 pages = {754--774},
 doi = {10.1016/j.ijplas.2005.04.014},
 abstract = {A continuum model of nanocrystalline copper was developed based on results from independent atomistic calculations on 11 bicrystals containing high angle grain boundaries. The relationship between grain boundary structure and its mechanical response was investigated. Based on the atomistic calculations; a constitutive law for grain boundary interfaces was implemented within a finite element calculation that consisted of a microstructure loaded in compression. The yield strength as a function of grain size was compared to experimental data and molecular dynamics results. Calculations were performed to demonstrate the relationship between intragranular plasticity and grain boundary sliding. © 2005 Elsevier Ltd. All rights reserved.},
 file = {/home/aselimov/docs/My Library/files/876/Warner, Sansoz, Molinari - 2006 - Atomistic based continuum investigation of plastic deformation in nanocrystalline copper.pdf},
 issn = {07496419},
 keyword = {Grain boundaries, Quasicontinuum, Finite elements, Nanocrystalline}
}

@article{warner_rate_2007,
 author = {Warner, D. H. and Curtin, W. A. and Qu, S.},
 title = {Rate dependence of crack-tip processes predicts twinning trends in f.c.c. metals},
 journal = {Nature Materials},
 year = {2007},
 number = {11},
 volume = {6},
 pages = {876--881},
 doi = {10.1038/nmat2030},
 abstract = {Crack-tip behaviour in metals is among the most basic problems in mechanics of materials. Yet, long-standing experimental evidence suggests that crack-tip twinning in face-centred-cubic (f.c.c.) metals is highly dependent on the material, temperature and loading rate, and previous simulations and models predict twinning in aluminium, where it has never been observed. Here, this discrepancy between theory and experiment is resolved through a new model guided and validated by extensive multiscale simulations. Both the analytic model and simulations reveal a transition from crack-tip twinning at short times to full dislocation formation at long times. Applied to a host of f.c.c. metals, the model agrees with experimental trends as it predicts large differences in the thermal activation needed for full dislocation emission to dominate. More broadly, this work demonstrates the necessity of multiscale modelling and attention to rate dependence for accurate description of material behaviour and computationally guided material design.},
 file = {/home/aselimov/docs/My Library/files/655/Warner, Curtin, Qu - 2007 - Rate dependence of crack-tip processes predicts twinning trends in f.c.c. metals(2).pdf},
 issn = {14764660},
 keyword = {Dislocation, CADD, Crack Tip, Crack},
 pmid = {17934465}
}

@article{was_deformation_1996,
 author = {Was, G.S and Foecke, T},
 title = {Deformation and fracture in microlaminates},
 journal = {Thin Solid Films},
 year = {1996},
 month = {September},
 number = {1-2},
 volume = {286},
 pages = {1--31},
 url = {https://www.sciencedirect.com/science/article/pii/S0040609096089055},
 doi = {10.1016/S0040-6090(96)08905-5},
 abstract = {The utility of microlaminates in engineering applications depends ultimately on their strength and toughness. While the properties of monolithic films and coatings can be controlled through crystal structure and microstructure, the properties of microlaminates are a sensitive function of the interfaces. It is the large number of interfaces in a microlaminate that determines the unique behavior of this special type of composite. This review begins with a property-based definition of a microlaminate. The mechanisms by which microlaminates deform plastically are reviewed and evaluated in the context of data on metal-metal, metal-intermetallic, metal-ceramic and ceramic-ceramic systems. It is evident that in addition to layer geometry, the layer microstructure plays a major role in determining the operative deformation mechanism. The fracture processes in a microlaminate are examined in the context of the layer strength, microstructure, defects and crack-tip-dislocation processes. High toughnesses in microlaminate materials can be attained through a combination of mechanisms, and their effectiveness depends critically on the ability to affect the magnitude and shape of the stress field at the tip of the crack. The study of deformation and fracture in microlaminates is still a relatively young field in materials science. However, while our understanding of these processes is still quite incomplete, it is improving rapidly with advances in experiment, theory and modeling capability.},
 file = {/home/aselimov/docs/My Library/files/668/Was, Foecke - 1996 - Deformation and fracture in microlaminates.pdf},
 issn = {0040-6090}
}

@article{williams_performance_1991,
 author = {Williams, Roy D.},
 title = {Performance of dynamic load balancing algorithms for unstructured mesh calculations},
 journal = {Concurrency: Practice and Experience},
 year = {1991},
 month = {October},
 number = {5},
 volume = {3},
 pages = {457--481},
 url = {http://doi.wiley.com/10.1002/cpe.4330030502},
 doi = {10.1002/cpe.4330030502},
 issn = {10403108},
 keyword = {methods}
}

@article{wood_lattice_2002,
 author = {Wood, R M},
 title = {The {Lattice} {Constants} of {High} {Purity} {Alpha} {Titanium}},
 journal = {Proceedings of the Physical Society},
 year = {2002},
 number = {3},
 volume = {80},
 pages = {783--786},
 doi = {10.1088/0370-1328/80/3/323},
 abstract = {Lattice constants have been determined for a specimen of alpha titanium of greater purity than hitherto examined. Values of a0 = 2.95111 {\textbackslash}AA ± 6 × 10-5 and c0 = 4.684 33 {\textbackslash}AA ± 10 × 10-5 differ significantly from previous, accepted figures obtained by Clark in 1949. Comparative impurity contents for two grades of pure titanium are given.},
 file = {/home/aselimov/docs/My Library/files/650/Wood - 2002 - The Lattice Constants of High Purity Alpha Titanium(2).pdf},
 issn = {0370-1328}
}

@article{wu_generalized-stacking-fault_2010,
 author = {Wu, Xiaozhi and Wang, Rui and Wang, Shaofeng},
 title = {Generalized-stacking-fault energy and surface properties for {HCP} metals: {A} first-principles study},
 journal = {Applied Surface Science},
 year = {2010},
 number = {11},
 volume = {256},
 pages = {3409--3412},
 url = {http://dx.doi.org/10.1016/j.apsusc.2009.12.042},
 doi = {10.1016/j.apsusc.2009.12.042},
 abstract = {We present first-principles calculations on the generalized-stacking-fault (GSF) energies and surface properties for several HCP metals on Mg, Be, Ti, Zn, and Zr, employing density functional theory (DFT) within generalized-gradient-approximation (GGA) and spin-polarized GGA (SGGA) using the Vienna ab initio simulation package (VASP). Using a supercell approach, stacking fault energies for the [1 1over(2, ̄) 0] and [1 0over(1, ̄) 0] slip systems, and surface properties on basal plane (0 0 0 1) have been determined. Our results show that GSF energy is sensitive to the primitive cell volumes and the ratio c / a for HCP metals. A spin-polarized calculations should be considered for transition-metal Ti, Zn, and Zr. The results for Mg from this work are good with ones from the previous ab initio and the experiments. © 2009 Elsevier B.V. All rights reserved.},
 file = {/home/aselimov/docs/My Library/files/709/Wu, Wang, Wang - 2010 - Generalized-stacking-fault energy and surface properties for HCP metals A first-principles study.pdf},
 issn = {01694332},
 keyword = {First-principles, Generalized-stacking-fault energy (GSF), HCP metals, Surface properties}
}

@article{xiong2016coarse,
 author = {Xiong, Liming and Rigelesaiyin, Ji and Chen, Xiang and Xu, Shuozhi and McDowell, David L and Chen, Youping},
 title = {Coarse-grained elastodynamics of fast moving dislocations},
 journal = {Acta Materialia},
 publisher = {Elsevier},
 year = {2016},
 volume = {104},
 pages = {143--155}
}

@article{xiong_concurrent_2012,
 author = {Xiong, Liming and Deng, Qian and Tucker, Garritt and McDowell, David L. and Chen, Youping},
 title = {A concurrent scheme for passing dislocations from atomistic to continuum domains},
 journal = {Acta Materialia},
 year = {2012},
 month = {February},
 number = {3},
 volume = {60},
 pages = {899--913},
 url = {https://www.sciencedirect.com/science/article/pii/S1359645411007786},
 doi = {10.1016/J.ACTAMAT.2011.11.002},
 abstract = {This paper presents a concurrent atomistic–continuum (CAC) methodology for three-dimensional dynamic simulation of dislocation nucleation, migration and interaction. The method is based on a new continuum field formulation of balance laws with relevant atomistic information (the arrangements and interactions of atoms) considered. In this work, we show that the new CAC method allows the smooth passage of dislocations through sharp interfaces between the atomistic and the coarse-grained finite element domains without unphysical reflection of dislocations or the need for heuristic rules; meanwhile, complex dislocation phenomena such as dislocation nucleation, dynamic strain bursts associated with nucleation and migration avalanches, formations of Lomer–Cottrell locks, dislocation–rigid boundary interactions, formation of intrinsic and extrinsic stacking faults, deformation twinning, and curved dislocation loops can be reproduced by the CAC method. All of the CAC simulations are directly compared with the corresponding atomic-level molecular dynamics (MD) simulations. The efficiency, accuracy and potential applications of the method are discussed along with necessary additional development of criteria for coarse graining.},
 file = {/home/aselimov/docs/My Library/files/846/Xiong et al. - 2012 - A concurrent scheme for passing dislocations from atomistic to continuum domains.pdf},
 issn = {1359-6454}
}

@article{xu2016mesh,
 author = {Xu, Shuozhi and Xiong, Liming and Deng, Qian and McDowell, David L},
 title = {Mesh refinement schemes for the concurrent atomistic-continuum method},
 journal = {International Journal of Solids and Structures},
 publisher = {Elsevier},
 year = {2016},
 volume = {90},
 pages = {144--152}
}

@article{xu_analysis_2016,
 author = {Xu, Shuozhi and Xiong, Liming and Chen, Youping and McDowell, David L.},
 title = {An analysis of key characteristics of the {Frank}-{Read} source process in {FCC} metals},
 journal = {Journal of the Mechanics and Physics of Solids},
 year = {2016},
 volume = {96},
 pages = {460--476},
 url = {http://dx.doi.org/10.1016/j.jmps.2016.08.002},
 doi = {10.1016/j.jmps.2016.08.002},
 abstract = {A well-known intragranular dislocation source, the Frank-Read (FR) source plays an important role in size-dependent dislocation multiplication in crystalline materials. Despite a number of studies in this topic, a systematic investigation of multiple aspects of the FR source in different materials is lacking. In this paper, we employ large scale quasistatic concurrent atomistic-continuum (CAC) simulations to model an edge dislocation bowing out from an FR source in Cu, Ni, and Al. First, a number of quantities that are important for the FR source process are quantified in the coarse-grained domain. Then, two key characteristics of the FR source, including the critical shear stress and critical dislocation configuration, are investigated. In all crystalline materials, the critical stresses and the aspect ratio of the dislocation half-loop height to the FR source length scale well with respect to the FR source length. In Al, the critical stress calculated by CAC simulations for a given FR source length agrees reasonably well with a continuum model that explicitly includes the dislocation core energy. Nevertheless, the predictions of the isotropic elastic theory do not accurately capture the FR source responses in Cu and Ni, which have a relatively large stacking fault width and elastic anisotropy. Our results highlight the significance of directly simulating the FR source activities using fully 3D models and shed light on developing more accurate continuum models.},
 file = {/home/aselimov/docs/My Library/files/614/Xu et al. - 2016 - An analysis of key characteristics of the Frank-Read source process in FCC metals(2).pdf},
 issn = {00225096},
 keyword = {Concurrent atomistic-continuum, Dislocation multiplication, FCC metals, Frank-Read source}
}

@article{xu_edge_2016,
 author = {Xu, Shuozhi and Xiong, Liming and Chen, Youping and McDowell, David L.},
 title = {Edge dislocations bowing out from a row of collinear obstacles in {Al}},
 journal = {Scripta Materialia},
 year = {2016},
 volume = {123},
 pages = {135--139},
 doi = {10.1016/j.scriptamat.2016.06.018},
 abstract = {The bowing of edge dislocations from a row of collinear obstacles in Al is studied using concurrent atomistic-continuum simulations of submicron-sized realizations containing up to 238 million atoms. Results show that (1) as the number of adjacent bowed-out dislocation segments increases, the critical dislocation depinning stress approaches that for an infinite array of obstacles and (2) for the unstable overall semi-elliptic dislocation configuration, the presence of intermediate obstacles reduces the dislocation half-loop height, but doesn't affect the critical shear stress. Our work highlights the significance of the effects of adjacent bowed-out segments on cooperative dislocation bow-out.},
 file = {/home/aselimov/docs/My Library/files/863/Xu et al. - 2016 - Edge dislocations bowing out from a row of collinear obstacles in Al(2).pdf},
 issn = {13596462},
 keyword = {Plastic deformation, Aluminum, Concurrent atomistic-continuum method, Dislocation theory, Simulation}
}

@article{xu_pycac_2018,
  title={PyCAC: The concurrent atomistic-continuum simulation environment},
  author={Xu, Shuozhi and Payne, Thomas G and Chen, Hao and Liu, Yongchao and Xiong, Liming and Chen, Youping and McDowell, David L},
  journal={Journal of Materials Research},
  volume={33},
  number={7},
  pages={857},
  year={2018},
  publisher={Cambridge University Press}
}

@article{xu_quasistatic_2015,
 author = {Xu, Shuozhi and Che, Rui and Xiong, Liming and Chen, Youping and McDowell, David L.},
 title = {A quasistatic implementation of the concurrent atomistic-continuum method for {FCC} crystals},
 journal = {International Journal of Plasticity},
 year = {2015},
 volume = {72},
 pages = {91--126},
 url = {http://dx.doi.org/10.1016/j.ijplas.2015.05.007},
 doi = {10.1016/j.ijplas.2015.05.007},
 abstract = {In recent years, numerous partitioned-domain methods have been developed to describe dislocation behavior at length scales that are usually inaccessible to most classical atomistic methods. These methods retain full atomistic detail in regions of interest while using a continuum description to reduce the computational burden elsewhere. In most of these methods, however, lattice defects in the continuum are either implemented via constitutive relations, lattice elasticity with dislocation field interactions, or are not permitted at all. In such approaches, the transit of dislocations across the atomistic/continuum interface appeals to approximate heuristics intended to minimize the effects of the interface due to the change from atomistic to continuum degrees of freedom. The concurrent atomistic-continuum (CAC) method, originally developed for addressing dynamic dislocation behavior by Xiong et al. (2011), permits dislocations to propagate in a continuum domain that employs a piecewise continuous finite element description with interelement displacement discontinuities. The method avoids ghost forces at interface between atomistically resolved and coarse-grained domains. CAC has subsequently been used to investigate complex dislocation behavior in face-centered cubic (FCC) metals (Xiong et al., 2012b,a,c, 2015). In this paper, we propose a quasistatic 3-D method to carry out sequential energy-minimized simulations at 0 K. This facilitates study of structure evolution along minimum energy pathways, avoiding over-driven conditions of high rate molecular dynamics. Parallelization steps in code implementation are described. Applications are presented for the quasistatic CAC method in FCC metal plasticity. Comparisons are made with a fully-resolved atomistic method for generalized stacking fault energy, core structure and stress field of a single 60° mixed type dislocation, surface indentation, and 60° mixed type dislocation migration through the interface between atomistic and coarse-grained domains. It is shown that 3-D CAC simulations are useful in substantially reducing the number of degrees of freedom while preserving key characteristics of dislocation structure, stacking faults, and plasticity, including the net Burgers vector and long range fields of interacting dislocations.},
 file = {/home/aselimov/docs/My Library/files/704/Xu et al. - 2015 - A quasistatic implementation of the concurrent atomistic-continuum method for FCC crystals(3).pdf},
 issn = {07496419},
 keyword = {Concurrent atomistic-continuum method, A. Dislocations, B. Metallic material, C. Finite elements, C. Numerical algorithms}
}

@article{xu_sequential_2016,
 author = {Xu, Shuozhi and Xiong, Liming and Chen, Youping and McDowell, David L},
 title = {Sequential slip transfer of mixed-character dislocations across $\Sigma$3 coherent twin boundary in FCC metals: a concurrent atomistic-continuum study},
 journal = {npj Computational Materials},
 year = {2016},
 month = {November},
 number = {1},
 volume = {2},
 pages = {15016},
 url = {http://www.nature.com/articles/npjcompumats201516},
 doi = {10.1038/npjcompumats.2015.16},
 abstract = {Three-dimensional modelling has uncovered important mechanistic clues to strengthening polycrystalline metals through plastic deformation. A team led by David McDowell at the Georgia Institute of Technology in the US used concurrent atomistic-continuum (CAC) simulations to investigate the challenging problem of how curved dislocations pile-up and interact with special ‘twin' grain boundaries in copper and aluminum when the metals are subjected to mechanical strain. These line defects move until they meet barriers such as grain boundaries separating crystalline regions, where they ‘pile-up' behind the leading defect and may inhibit further defects from forming, a process known as work hardening. The multiscale CAC technique coarse grains the lattice using 3-D rhombohedra, and then applies an integral form finite element method to describe dislocation motion between elements, critical for understanding work hardening.},
 file = {Xu et al. - 2016 - Sequential slip transfer of mixed-character disloc.pdf:/home/aselimov/docs/My Library/files/895/Xu et al. - 2016 - Sequential slip transfer of mixed-character disloc.pdf},
 issn = {2057-3960},
 keyword = {Coarse, grained models, Metals and alloys}
}

@article{xu_shear_2017,
 author = {Xu, Shuozhi and Xiong, Liming and Chen, Youping and McDowell, David L.},
 title = {Shear stress- and line length-dependent screw dislocation cross-slip in FCC Ni},
 journal = {Acta Materialia},
 year = {2017},
 volume = {122},
 pages = {412--419},
 url = {http://dx.doi.org/10.1016/j.actamat.2016.10.005},
 doi = {10.1016/j.actamat.2016.10.005},
 abstract = {Screw dislocation cross-slip is important in dynamic recovery of deformed metals. A mobile screw dislocation segment can cross slip to annihilate an immobile screw dislocation segment with opposite Burgers vector, leaving excess dislocations of one kind in a crystal. Previous studies have found that the cross-slip process depends on both the local stress state and dislocation line length, yet a quantitative study of the combined effects of these two factors has not been conducted. In this work, we employ both dynamic concurrent atomistic-continuum (CAC) [L. Xiong, G. Tucker, D.L. McDowell, Y. Chen, J. Mech. Phys. Solids 59 (2011) 160???177] and molecular dynamics simulations to explore the shear stress- and line length-dependent screw dislocation cross-slip in face-centered cubic Ni. It is demonstrated that the CAC approach can accurately describe the 3-D cross-slip process at a significantly reduced computational cost, as a complement to other numerical methods. In particular, we show that the Fleischer (FL) [R.L. Fleischer, Acta Metall. 7 (1959) 134???135] type cross-slip, in which a stair-rod dislocation is involved, can be simulated in the coarse-grained domain. Our simulations show that as the applied shear stress increases, the cross-slip mechanism changes from the Friedel-Escaig (FE) [B. Escaig, J. Phys. 29 (1968) 225???239] type to the FL type. In addition, the critical shear stress for both cross-slip mechanisms depends on the dislocation line length. Moreover, the cross-slip of a screw dislocation with a length of 6.47??nm analyzed using periodic boundary conditions occurs via only the FL mechanism, whereas a longer dislocation with length of 12.94??nm can cross-slip via either the FE or FL process in Ni subject to different shear stresses.},
 issn = {13596454},
 keyword = {Atomistic simulation, Cross-slip, FCC metal, Multiscale simulation, Plastic deformation}
}

@article{xu_size-dependent_2017,
 author = {Xu, Shuozhi and Startt, Jacob K. and Payne, Thomas G. and Deo, Chaitanya S. and McDowell, David L.},
 title = {Size-dependent plastic deformation of twinned nanopillars in body-centered cubic tungsten},
 journal = {Journal of Applied Physics},
 year = {2017},
 month = {May},
 number = {17},
 volume = {121},
 pages = {175101},
 url = {http://aip.scitation.org/doi/10.1063/1.4982754},
 doi = {10.1063/1.4982754},
 abstract = {Compared with face-centered cubic metals, twinned nanopillars in body-centered cubic (BCC) systems are much less explored partly due to the more complicated plastic deformation behavior and a lack of reliable interatomic potentials for the latter. In this paper, the fault energies predicted by two semi-empirical interatomic potentials in BCC tungsten (W) are first benchmarked against density functional theory calculations. Then, the more accurate potential is employed in large scale molecular dynamics simulations of tensile and compressive loading of twinned nanopillars in BCC W with different cross sectional shapes and sizes. A single crystal, a twinned crystal, and single crystalline nanopillars are also studied as references. Analyses of the stress-strain response and defect nucleation reveal a strong tension-compression asymmetry and a weak pillar size dependence in the yield strength. Under both tensile and compressive loading, plastic deformation in the twinned nanopillars is dominated by dislocatio...},
 file = {/home/aselimov/docs/My Library/files/638/Xu et al. - 2017 - Size-dependent plastic deformation of twinned nanopillars in body-centered cubic tungsten.pdf},
 issn = {0021-8979},
 keyword = {molecular dynamics method, nanostructured materials, nucleation, plastic deformation, slip, stress-strain relations, tungsten, twin boundaries, yield strength}
}

@article{yahalom1989structure,
 author = {Yahalom, J and Tessier, DF and Timsit, RS and Rosenfeld, AM and Mitchell, DF and Robinson, PT},
 title = {Structure of composition-modulated Cu/Ni thin films prepared by electrodeposition},
 journal = {Journal of Materials Research},
 publisher = {Springer},
 year = {1989},
 number = {4},
 volume = {4},
 pages = {755--758}
}

@article{yang_concurrent_2013,
 author = {Yang, Shengfeng and Xiong, Liming and Deng, Qian and Chen, Youping},
 title = {Concurrent atomistic and continuum simulation of strontium titanate},
 journal = {Acta Materialia},
 year = {2013},
 number = {1},
 volume = {61},
 pages = {89--102},
 url = {http://dx.doi.org/10.1016/j.actamat.2012.09.032},
 doi = {10.1016/j.actamat.2012.09.032},
 abstract = {This paper presents a concurrent atomistic-continuum methodology (CAC) to simulate the dynamic processes of dislocation nucleation and migration as well as crack initiation and propagation in complex crystals. The accuracy and efficiency of the method is tested with respect to the molecular dynamics (MD) method through simulations of the dynamic fracture processes in strontium titanate under a combination of tension and shear loading and the dislocation behavior under nanoindentation. CAC simulation results demonstrated a smooth passage of cracks and dislocations through the atomistic-continuum interface without the need for additional constitutive rules or special numerical treatment. Although some accuracy is lost in CAC simulations as a consequence of a 98.4\\% reduction in the degrees of freedom, all the CAC results are qualitatively and quantitatively comparable with MD results. The stacking fault width and nanoindentation hardness measured in the CAC simulations agrees well with existing experimental data. Criteria for cleavage and slip in ionic materials are verified. The need to include the internal degrees of freedom of atoms in concurrent atomistic-continuum methods for polyatomic crystalline materials is confirmed. © 2012 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.},
 file = {/home/aselimov/docs/My Library/files/726/Yang et al. - 2013 - Concurrent atomistic and continuum simulation of strontium titanate(2).pdf},
 issn = {13596454},
 keyword = {Dislocation, Concurrent atomistic-continuum simulation, Dynamic fracture, Strontium titanate}
}

@incollection{yang_concurrent_2016,
 author = {Yang, Shengfeng and Chen, Youping},
 title = {Concurrent {Atomistic}-{Continuum} {Simulation} of {Defects} in {Polyatomic} {Ionic} {Materials}},
 publisher = {Springer},
 year = {2016},
 pages = {261--296},
 booktitle = {Multiscale {Materials} {Modeling} for {Nanomechanics}`},
 edition = {Vol. 245},
 file = {/home/aselimov/docs/My Library/files/639/Yang, Chen - 2016 - Concurrent Atomistic-Continuum Simulation of Defects in Polyatomic Ionic Materials(2).pdf}
}

@article{yu_strengthening_2013,
 author = {Yu, K.Y. and Liu, Y. and Rios, S. and Wang, H. and Zhang, X.},
 title = {Strengthening mechanisms of {Ag}/{Ni} immiscible multilayers with fcc/fcc interface},
 journal = {Surface and Coatings Technology},
 year = {2013},
 month = {December},
 volume = {237},
 pages = {269--275},
 url = {https://www.sciencedirect.com/science/article/pii/S0257897213005483},
 doi = {10.1016/J.SURFCOAT.2013.05.051},
 abstract = {We investigate the microstructure and mechanical properties of sputtered face-centered cubic (fcc) Ag/Ni multilayers with varying individual layer thickness h of 1–200 nm deposited on Si (100) and Si (111) substrates. Both multilayer systems have similar {\textbackslash}textless111{\textbackslash}textgreater fiber texture with predominantly incoherent Ag/Ni interfaces. Superlattice structure arises when h decreases to less than 5nm. Indentation hardness of both Ag/Ni systems shows similar significant size dependence when h {\textbackslash}textgreater 3nm. Strengthening mechanisms in Ag/Ni systems are discussed and compared to those in Cu/Ni and Ag/Cu systems with fcc/fcc interfaces.},
 file = {/home/aselimov/docs/My Library/files/705/Yu et al. - 2013 - Strengthening mechanisms of AgNi immiscible multilayers with fccfcc interface(2).pdf},
 issn = {0257-8972},
 keyword = {NMM}
}

@article{yuan_molecular_2007,
 author = {Yuan, Lin and Shan, Debin and Guo, Bin},
 title = {Molecular dynamics simulation of tensile deformation of nano-single crystal aluminum},
 journal = {Journal of Materials Processing Technology},
 year = {2007},
 month = {April},
 number = {1-3},
 volume = {184},
 pages = {1--5},
 url = {https://www.sciencedirect.com/science/article/pii/S0924013606009022},
 doi = {10.1016/J.JMATPROTEC.2006.10.042},
 abstract = {In order to research the mechanisms of tensile deformation at nanometer, molecular dynamics (MD) was employed to simulate the tension process of nano-single crystal aluminum (Al) under different temperatures. The results show that the stress–strain curves decrease after a linear increase up to the maximum abruptly because the first transition from elastic to plastic deformation and the slip take place. Then the multiple slips on the (111) planes continue to occur after the yield. At last, the plastic deformation causes ductile shear fracture. Atomistic simulations of tension at nanometer give results that agree with the phenomenological attributes of plasticity observed in macroscale experiments. The lower strain rate results in the lower yield stress. The tensile strength decreases at higher temperatures.},
 file = {/home/aselimov/docs/My Library/files/625/Yuan, Shan, Guo - 2007 - Molecular dynamics simulation of tensile deformation of nano-single crystal aluminum.pdf},
 issn = {0924-0136}
}

@article{zeng_high_2016,
 author = {Zeng, L.F. and Gao, R. and Fang, Q.F. and Wang, X.P. and Xie, Z.M. and Miao, S. and Hao, T. and Zhang, T.},
 title = {High strength and thermal stability of bulk {Cu}/{Ta} nanolamellar multilayers fabricated by cross accumulative roll bonding},
 journal = {Acta Materialia},
 year = {2016},
 month = {May},
 volume = {110},
 pages = {341--351},
 url = {https://www.sciencedirect.com/science/article/pii/S1359645416301872},
 doi = {10.1016/J.ACTAMAT.2016.03.034},
 abstract = {Bulk Cu/Ta nanolamellar multilayers with an individual layer thickness from several micrometers down to 50 nm were successfully fabricated via a combination of cross accumulative roll bonding (CARB) and an intermediate annealing step. This fabrication technique allowed to effectively suppress the formation of plastic instabilities and edge cracks during the repeated rolling process. A transition of the layered morphology from non-planar interfaces at the submicron level to nearly planar interfaces at the nano-scale was observed with decreasing layer thickness. High resolution transmission electron microscopy, selected area electron diffraction and X-ray diffraction were performed, and the results indicate that the Cu/Ta nanolamellar multilayers with a layer thickness of 50 nm show a \{100\}Ta[110]∥\{110\}Cu[111] rolling texture relationship. Tensile tests revealed that the ultimate tensile strength of the composite was up to 950 MPa, which is approximately 5 times higher than that of the initial pure Cu and Ta. The hardness of the prepared multilayer maintained unchanged even after an annealing at 500 °C for 1 h. These unique properties are attributed to an atomically flat bimetal interface and the low amount of homophase grain boundaries resulted from the CARB process.},
 file = {/home/aselimov/docs/My Library/files/861/Zeng et al. - 2016 - High strength and thermal stability of bulk CuTa nanolamellar multilayers fabricated by cross accumulative roll bon.pdf},
 issn = {1359-6454},
 keyword = {NMM}
}

@article{zhang_length-scale-dependent_2011,
 author = {Zhang, J. Y. and Zhang, X. and Wang, R. H. and Lei, S. Y. and Zhang, P. and Niu, J. J. and Liu, G. and Zhang, G. J. and Sun, J.},
 title = {Length-scale-dependent deformation and fracture behavior of Cu/X (X = Nb, Zr) multilayers: The constraining effects of the ductile phase on the brittle phase},
 journal = {Acta Materialia},
 year = {2011},
 number = {19},
 volume = {59},
 pages = {7368--7379},
 url = {http://dx.doi.org/10.1016/j.actamat.2011.08.016},
 doi = {10.1016/j.actamat.2011.08.016},
 abstract = {The plastic deformation and fracture behavior of two different types of Cu/X (X = Nb, Zr) nanostructured multilayered films (NMFs) were systematically investigated over wide ranges of modulation period (λ) and modulation ratio (η, the ratio of X layer thickness to Cu layer thickness). It was found that both the ductility and fracture mode of the NMFs were predominantly related to the constraining effect of ductile Cu layers on microcrack-initiating X layers, which showed a significant length-scale dependence on λ and η. Experimental observations and theoretical analyses also revealed a transition in strengthening mechanism, from single dislocation slip in confined layers to a load-bearing effect, when the Cu layer thickness was reduced to below ∼15 nm by either decreasing λ or increasing η. This is due to the intense suppression of dislocation activities in the thin Cu layers, which causes a remarkable reduction in the deformability of the Cu layers. Concomitantly, the constraining effect of Cu layers on microcrack propagation is weakened, which can be used to explain the experimentally observed λ and η-dependent fracture mode transition from shear mode to an opening mode. Furthermore, the fracture toughness of the NMFs is also found to be sensitive to both λ and η. A fracture mechanism-based micromechanical model is developed to quantitatively assess the length-scale-dependent fracture toughness, and these calculations are in good agreement with experimental findings. © 2011 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.},
 file = {/home/aselimov/docs/My Library/files/834/Zhang et al. - 2011 - Length-scale-dependent deformation and fracture behavior of CuX (X = Nb, Zr) multilayers The constraining effects.pdf},
 issn = {13596454},
 keyword = {Constraint effects, Deformability, Fracture behavior, Length scale, Nanostructured multilayers}
}

@article{zhang_manipulating_2016,
 author = {Zhang, R.F. and Beyerlein, I.J. and Zheng, S.J. and Zhang, S.H. and Stukowski, A. and Germann, T.C.},
 title = {Manipulating dislocation nucleation and shear resistance of bimetal interfaces by atomic steps},
 journal = {Acta Materialia},
 year = {2016},
 month = {July},
 volume = {113},
 pages = {194--205},
 url = {https://www.sciencedirect.com/science/article/pii/S1359645416303536},
 doi = {10.1016/J.ACTAMAT.2016.05.015},
 abstract = {By means of atomistic simulations and interface dislocation theory, the mechanism of dislocation nucleation and shear resistance of various stepped fcc/bcc interfaces are comparatively studied using the Kurdjumov-Sachs (KS) Cu/Nb interface as a prototype. It is found that the introduction of atomic steps at the flat Cu\{111\}/\{110\}Nb KS interface does not change the most preferred slip systems, but influences the nucleation sites at the interface during tension loading, indicating that the flat and stepped interfaces possesses comparable energetic barriers for dislocation nucleation. During shear loading, the steps may significantly enhance the resistance to interface sliding by propagating partial dislocations that facilitate the emission and growth of parallel twins via cross slip. When the parallel twins are not favored or are hindered, the interface sliding will dominate in a “climbing peak-to-valley” manner. These results provide an effective pathway to solve the trade-off dilemma between dislocation nucleation and interface sliding by appropriately manipulating atomic steps at the flat interface in the design of high-strength metallic materials.},
 file = {/home/aselimov/docs/My Library/files/882/Zhang et al. - 2016 - Manipulating dislocation nucleation and shear resistance of bimetal interfaces by atomic steps.pdf},
 issn = {1359-6454}
}

@article{zhang_modulation_2015,
 author = {Zhang, B. and Kou, Y. and Xia, Y.Y. and Zhang, X.},
 title = {Modulation of strength and plasticity of multiscale {Ni}/{Cu} laminated composites},
 journal = {Materials Science and Engineering: A},
 year = {2015},
 month = {June},
 volume = {636},
 pages = {216--220},
 url = {https://www.sciencedirect.com/science/article/pii/S0921509315003263},
 doi = {10.1016/J.MSEA.2015.03.075},
 abstract = {The multiscale Ni/Cu laminated composites with different layer-thickness ratios and grain sizes were designed and prepared by the dual-bath electrodeposition technique. Strength and ductility of the multiscale Ni/Cu laminated composites were investigated by tensile tests at room temperature. The experimental results show that the ultrafine-grained Ni/coarse-grained Cu laminated composites with a thickness ratio of 20:1 have a good synergy of strength and ductility. For this Ni/Cu laminated composite, not only could the large strain hardening ability and the good plastic deformation stability of the thick ultrafine-grained Ni layers be obtained, but also the ductility of the ultrathin coarse-grained Cu layers and the resistance to the development of strain localization of the ultrafine-grained Ni layers did not become degraded. Basic mechanisms for optimizing the strength and the ductility in the multiscale Ni/Cu laminated composites are discussed.},
 file = {/home/aselimov/docs/My Library/files/634/Zhang et al. - 2015 - Modulation of strength and plasticity of multiscale NiCu laminated composites.pdf},
 issn = {0921-5093}
}

@article{zhang_review_2016,
 author = {Zhang, Liang and Lu, Cheng and Tieu, Kiet},
 title = {A review on atomistic simulation of grain boundary behaviors in face-centered cubic metals},
 journal = {Computational Materials Science},
 year = {2016},
 volume = {118},
 pages = {180--191},
 url = {http://dx.doi.org/10.1016/j.commatsci.2016.03.021},
 doi = {10.1016/j.commatsci.2016.03.021},
 abstract = {Grain boundaries are the interfaces between differently oriented crystals of the same material. The underlying structures of grain boundary play a significant role in mechanical properties of polycrystalline materials. This influence becomes more significant when the grain size is reduced to ultrafine or nano size scale where the dislocation activities in the interior of grains lessen and mechanisms mediated by the grain boundary become dominant. This paper reviewed recent results in the atomistic simulation of the nanoscale behavior of grain boundary in face-centered cubic (fcc) metals. Three different simulation models were introduced to investigate the grain boundary behavior during plastic deformation, including three-dimensional (3D) nanocrystalline model, columnar nanocrystalline model and bicrystal model. The grain boundary was found to contribute to plastic deformation through the process of dislocation absorption, transmission or nucleation at boundary plane, as well as grain boundary accommodation mechanisms such as GB sliding and GB migration. These grain boundary mediated mechanisms were widely studied by the previous atomistic simulation works and were extensively reviewed here. Future challenges and directions in the computational study of grain boundary behaviors were also discussed.},
 file = {/home/aselimov/docs/My Library/files/620/Zhang, Lu, Tieu - 2016 - A review on atomistic simulation of grain boundary behaviors in face-centered cubic metals.pdf},
 issn = {09270256},
 keyword = {Dislocation, Molecular dynamics, Plasticity, Grain boundary, Atomistic simulation}
}

@article{zhang_stress-assisted_2017,
 author = {Zhang, Yang and Tucker, Garritt J. and Trelewicz, Jason R.},
 title = {Stress-assisted grain growth in nanocrystalline metals: {Grain} boundary mediated mechanisms and stabilization through alloying},
 journal = {Acta Materialia},
 year = {2017},
 volume = {131},
 pages = {39--47},
 url = {http://dx.doi.org/10.1016/j.actamat.2017.03.060},
 doi = {10.1016/j.actamat.2017.03.060},
 abstract = {The mechanisms of stress-assisted grain growth are explored using molecular dynamics simulations of nanoindentation in nanocrystalline Ni and Ni-1 at.\\% P as a function of grain size and deformation temperature. Grain coalescence is primarily confined to the high stress region beneath the simulated indentation zone in nanocrystalline Ni with a grain size of 3 nm. Grain orientation and atomic displacement vector mapping demonstrates that coalescence transpires through grain rotation and grain boundary migration, which are manifested in the grain interior and grain boundary components of the average microrotation. A doubling of the grain size to 6 nm and addition of 1 at.\\% P eliminates stress-assisted grain growth in Ni. In the absence of grain coalescence, deformation is accommodated by grain boundary-mediated dislocation plasticity and thermally activated in pure nanocrystalline Ni. By adding solute to the grain boundaries, the temperature-dependent deformation behavior observed in both the lattice and grain boundaries inverts, indicating that the individual processes of dislocation and grain boundary plasticity will exhibit different activity based on boundary chemistry and deformation temperature.},
 file = {/home/aselimov/docs/My Library/files/689/Zhang, Tucker, Trelewicz - 2017 - Stress-assisted grain growth in nanocrystalline metals Grain boundary mediated mechanisms and stabiliz.pdf},
 issn = {13596454},
 keyword = {Grain boundaries, Molecular dynamics, Nanoindentation, Grain growth, Nanocrystalline metals}
}

@article{zhang_universal_2016,
 author = {Zhang, Yuting and Li, Yujie and Ding, Xiuli},
 title = {Universal {Format} of {Shape} {Function} for {Numerical} {Analysis} using {Multiple} {Element} {Forms} {Universal} {Format} of {Shape} {Function} using {Linear} {Hexahedron}},
 journal = {Advanced Science and Technology Letters},
 year = {2016},
 number = {Ast},
 volume = {121},
 pages = {63--67},
 file = {/home/aselimov/docs/My Library/files/851/Zhang, Li, Ding - 2016 - Universal Format of Shape Function for Numerical Analysis using Multiple Element Forms Universal Format of Shap.pdf},
 keyword = {finite, shape degeneration, shape function, universal format}
}

@article{zherebtsov_loss_2010,
 author = {Zherebtsov, Sergey and Salishchev, Gennady and Lee Semiatin, S.},
 title = {Loss of coherency of the alpha/beta interface boundary in titanium alloys during deformation},
 journal = {Philosophical Magazine Letters},
 year = {2010},
 number = {12},
 volume = {90},
 pages = {903--914},
 doi = {10.1080/09500839.2010.521526},
 abstract = {The loss of coherency of interphase boundaries in two-phase titanium alloys during deformation was analyzed. The energy of the undeformed interphase boundary was first determined by means of the van der Merwe model for stepped interfaces. The subsequent loss of coherency was ascribed to the increase of interphase energy due to absorption of lattice dislocations and was quantified by a relation similar to the Read-Shockley equation for low-angle boundaries in single-phase alloys. It was found that interphase boundaries lose their coherency by a strain of approximately 0.5 at T=800\${\textbackslash}backslash\$,{\textasciicircum}\{\${\textbackslash}backslash\$circ\}C.},
 file = {/home/aselimov/docs/My Library/files/707/Zherebtsov, Salishchev, Lee Semiatin - 2010 - Loss of coherency of the alphabeta interface boundary in titanium alloys during deformatio.pdf},
 issn = {09500839},
 keyword = {plastic deformation, interfaces, alpha-Ti, beta-Ti, coherency, interface, titanium alloys}
}

@article{zhigilei_introduction_2013,
 author = {Zhigilei, Leonid},
 title = {Introduction to interatomic potentials ({I})},
 journal = {None},
 year = {2013},
 number = {I},
 abstract = {In order to use Molecular Dynamics or Monte Carlo methods we have to define the rules that are governing interaction of atoms in the system. In classical and semi-classical simulations these rules are often expressed in terms of potential functions. The potential function U(r 1 , r 2 , {\textbackslash}ldots, r N) describes how the potential energy of a system of N atoms depends on the coordinates of the atoms, r 1 , r 2 , {\textbackslash}ldots, r N . It is assumed the electrons adjust to new atomic positions much faster than the motion of the atomic nuclei (Born-Oppenheimer approximation). The forces in MD simulation are defined by the potential, How to obtain the potential function for a particular system? Introduction to interatomic potentials (I)},
 file = {/home/aselimov/docs/My Library/files/831/Zhigilei - 2013 - Introduction to interatomic potentials (I)(2).pdf}
}

@article{zhou_mechanical_2015,
 author = {Zhou, Q. and Xie, J. Y. and Wang, F. and Huang, P. and Xu, K. W. and Lu, T. J.},
 title = {The mechanical behavior of nanoscale metallic multilayers: {A} survey},
 journal = {Acta Mechanica Sinica},
 year = {2015},
 month = {June},
 number = {3},
 volume = {31},
 pages = {319--337},
 url = {http://link.springer.com/10.1007/s10409-015-0401-1},
 doi = {10.1007/s10409-015-0401-1},
 file = {/home/aselimov/docs/My Library/files/633/Zhou et al. - 2015 - The mechanical behavior of nanoscale metallic multilayers A survey.pdf},
 issn = {0567-7718},
 keyword = {NMM, Review}
}

@article{zhou_new_2003,
 author = {Zhou, Min},
 title = {A new look at the atomic level virial stress: on continuum-molecular system equivalence},
 journal = {Proceedings of the Royal Society of London. Series A: Mathematical, Physical and Engineering Sciences},
 year = {2003},
 month = {September},
 number = {2037},
 volume = {459},
 pages = {2347--2392},
 url = {http://www.royalsocietypublishing.org/doi/10.1098/rspa.2003.1127},
 doi = {10.1098/rspa.2003.1127},
 file = {/home/aselimov/docs/My Library/files/887/Zhou - 2003 - A new look at the atomic level virial stress on continuum-molecular system equivalence.pdf},
 issn = {1471-2946}
}

@article{zhu_scale-dependent_2010,
 author = {Zhu, X.F. and Zhang, G.P. and Yan, C. and Zhu, S.J. and Sun, J.},
 title = {Scale-dependent fracture mode in {Cu}–{Ni} laminate composites},
 journal = {Philosophical Magazine Letters},
 year = {2010},
 month = {June},
 number = {6},
 volume = {90},
 pages = {413--421},
 url = {http://www.tandfonline.com/doi/abs/10.1080/09500831003745241},
 doi = {10.1080/09500831003745241},
 abstract = {Fracture behavior of Cu–Ni laminate composites has been investigated by tensile testing. It was found that as the individual layer thickness decreases from 100 to 20 nm, the resultant fracture angle of the Cu–Ni laminate changes from 72° to 50°. Cross-sectional observations reveal that the fracture of the Ni layers transforms from opening to shear mode as the layer thickness decreases while that of the Cu layers keeps shear mode. Competition mechanisms were proposed to understand the variation in fracture mode of the metallic laminate composites associated with length scale.},
 file = {/home/aselimov/docs/My Library/files/691/Zhu et al. - 2010 - Scale-dependent fracture mode in Cu–Ni laminate composites.pdf},
 issn = {0950-0839},
 keyword = {fracture, nanolaminate, interfaces, length scale}
}

@article{zhu_tensile_2009,
 author = {Zhu, X F and Zhang, G P},
 title = {Tensile and fatigue properties of ultrafine Cu–Ni multilayers},
 journal = {Journal of Physics D: Applied Physics},
 year = {2009},
 month = {March},
 number = {5},
 volume = {42},
 pages = {055411},
 url = {http://stacks.iop.org/0022-3727/42/i=5/a=055411?key=crossref.54e50de0d666f101a811f503d3278c4c},
 doi = {10.1088/0022-3727/42/5/055411},
 file = {/home/aselimov/docs/My Library/files/844/Zhu, Zhang - 2009 - Tensile and fatigue properties of ultrafine Cu–Ni multilayers.pdf},
 issn = {0022-3727},
 keyword = {NMM}
}

@book{zienkiewicz2005finite,
 author = {Zienkiewicz, Olek C and Taylor, Robert L and Zhu, Jian Z},
 title = {The finite element method: its basis and fundamentals},
 publisher = {Elsevier},
 year = {2005}
}