Simulation of Dislocation Dynamics in Copper

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Atomistic configuration and motion of dislocation have 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 140,000 atoms. An edge dislocation is introduced along [112] direction near the centre of model crystal, and the system is relaxed. After the dislocation configuration is stabilized, a shear stress is applied and released. Wavy motion of dislocations is developed on the Peierls valleys when the free boundary condition is adopted. Propagation of phonon and dislocation-phonon interaction in the crystal are also simulated.

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