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53 lines
1.6 KiB
53 lines
1.6 KiB
# Dislocation
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There are various options for creating dislocations.
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These are listed below.
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## dislgen
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```
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-dislgen [ijk] [hkl] x y z burgers char_angle poisson
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```
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This options adds an arbitrarily oriented dislocation into your model based on user inputs using the volterra displacement fields. The options are below
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`[ijk]` - The vector for the line direction
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`[hkl]` - The vector for the slip plane
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`burgers` - The magnitude of the burgers vector for the dislocation to be inserted
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`x y z` - The position of the dislocation centroid
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`char_angle` - Character angle of the dislocation (0 is screw and 90 is edge)
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`poisson` - Poisson's ratio used for the displacement field.
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## disloop
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````
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-disloop loop_normal radius x y z bx by bz poisson
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````
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This option imposes the displacement field for a dislocation in order to create a loop. This loop is unstable and will close if stress isn't applied.
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`loop_normal` - The box dimension which defines the normal to the loop plane. As of now this dimension must be a close packed direction, meaning that for fcc a box dimension has to be of the (111) family of planes. Either `x`, `y`, or `z`.
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`radius` - The radius of the loop in Angstroms.
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`x y z` - The centroid of the loop.
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`bx by bz` - The burgers vector for the dislocation
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`poisson` - Poisson ratio for continuum solution
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## vacancy disloop
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```
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-vacancydisloop loop_normal radius x y z
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```
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This option creates a circular planar vacancy cluster of radius `radius` normal to the `loop_normal` centered on position `x y z`. Upon relaxing or energy minimization this cluster should become a prismatic dislocation loop.
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