Dislocation/coherent twin boundary interactions

FCC Ni, Mishin EAM potential, 2197 atoms per element in the coarse-grained domain. Results using larger models and/or in other metals are published in Xu et al., 2016 and 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 $(1\bar{1}1)$ plane is first created; then subject to a $\gamma_{zx}$ simple shear strain, the dislocation moves toward and is then transmitted across the $\Sigma 3${111} coherent twin boundary.

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