MOLECULAR-DYNAMICS STUDY OF SELF-DIFFUSION IN LIQUID TRANSITION-METALS

Molecular-dynamics simulations on liquid transition metals were performed with use of Johnsons 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. © 1990 The American Physical Society.