Molecular-dynamics study of the dynamic properties of fcc transition and simple metals in the liquid phase using the second-moment approximation to the tight-binding method

Abstract

Using a semiempirical many-body potential based on the second-moment approximation to the tight-binding method, we performed molecular-dynamics simulations to compute the diffusion constants and shear viscosities of the fcc transition metals Ni, Pd, Pt, Cu, Ag, and Au and the simple fcc metals Al and Pb in the liquid phase; in the case of Ni and Pb, we also computed the dynamic structure factors. Comparison of the molecular-dynamics results with available experimental data shows that the tight-binding potentials give a reasonable description of the dynamic properties of the liquid metals considered, in spite of having been parametrized on the basis of solid-state data.