Screw dislocation cross-slip

FCC Cu, Mishin EAM potential, 1331 atoms per element in the coarse-grained domain. Results using larger models are published in Xu et al., 2017.

In the figure below, the atoms that fill in the jagged interstices are not shown for a better visualization of the elements. In the Langevin dynamic simulation, a screw dislocation on the $(\bar{1}1\bar{1})$ plane is first created; then subject to a $\gamma_{zy}$ simple shear strain, it crosses slip onto the $(1\bar{1}\bar{1})$.

The movie below and the log file are produced using the input file and rendered by OVITO: