Simulation of twin grain boundaries in bcc metals and alloys

We perform molecular dynamics simulation of twin grain boundaries in system with BCC structure. Six types of extended symmetrically tilt grain boundaries are considered in alpha iron, chromium, vanadium, and binary random alloy Fe-10at.%Cr. The study is performed with the use of many-body atomic interaction. In accordance with the simulation results, we have calculated specific energies of the twin boundaries for each of the considered materials.