Molecular dynamics study of vacancy migration in Al

摘要

The embedded atom method (EAM) potential developed for Al was used to study self-diffusion. The vacancy formation and migration energies were obtained both from molecular static calculations at T = 0 and molecular dynamics (MD) calculations near the melting temperature. Applying pure dilatation at T = 900 K, we also obtained the vacancy migration volume. The obtained results are compared with available experimental data.