Simulation of dislocation-phonon interaction in metals

Motion of dislocations interacting with phonons has been simulated by means of molecular dynamics method. The embedded atom method potential for copper is adopted in the simulation. Model crystal is a rectangular solid containing about 140000 atoms. An edge dislocation is introduced along [112] direction near centre of model crystal, and the system is relaxed. After the dislocation configuration is stabilized, a shear stress is applied and released. Wavy motions of dislocations developed on the Peierls valleys are observed. Excitation of atoms consisting the dislocation by the propagation of 'hot atoms' is also observed in the simulation