Atomistic simulations of grain boundary migration in copper

摘要: While the motion of twist boundaries can be readily studied by atomistic simulations with molecular dynamics (MD) under action an elastic driving force, approach fails for tilt boundaries. This is due to interaction stress grain boundary (GB) structure, which causes plastic strain GB sliding. A novel concept, orientation correlated introduced circumvent this problem. It shown that concept successfully applied study migration The behavior several and GBs was investigated. transition from low-to high-angle captured, a structural found at high temperatures, also affected behavior. results compare well experimental boundaries, but low-angle agreement poor.