Molecular-dynamics study of self-diffusion in liquid transition metals

Molecular-dynamics simulations on liquid transition metals were performed with use of Johnson's analytic nearest-neighbor embedded-atom model. The coefficients of self-diffusion for Cu, Ag, Au, Ni, Pd, and Pt at their melting points were computed. The temperature dependence of the self-diffusivity for liquid copper has been studied with the value of the activation energy in good agreement with experiments.