Table 1 Details of the attributes and values contained in the Dislocation-GB interaction dataset.
From: Dislocation-Grain Boundary Interaction Dataset for FCC Cu
Attribute | Value Datatype | Description | Notes |
|---|---|---|---|
tx,ty,tz | Vector | GB tilt axis [h,k,l] | |
nx,ny,nz | Vector | GB plane inclination [u,v,w] | |
a,b,c | Vector | Indices of grid search over microscopic translational degrees of freedom | Grid spacing of d[h,k,l]/10 for a and b |
d | Integer | Crystal chosen to delete atoms | |
type | String | Dislocation type | Edge, screw, or mixed |
Applied stress | Decimal | Applied stress (MPa) | |
Misorientation angle | Decimal | Misorientation angle (degrees) | |
Initial Velocity | Integer | Index of velocity seed | |
GBE | Decimal | GB energy (mJ/m2) | GB energy of the center grain where the interaction happens |
Reaction | Integer | Dislocation-GB reaction label | See Table 2 for reaction categories |
