Dislocaton/coherent twin boundary interaction

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.

dislocation-ctb

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