Calculations of structure and shear viscosity for less simple liquid metals

Abstract

The results of calculations for static structure factors, S(q), and shear viscosities for less simple liquid metals, Zn, Cd, In, Hg and Pb, are presented. These have been studied by using effective interionic pair potentials which are derived from a local approach that successfully combines the sp-band contribution with the contribution of sd mixing. Specifically the sp-band contribution is described by an empty core model and the d-band contribution is deduced from the scattering phase shift by applying an inverse scattering method. The liquid structure is investigated by using two liquid state theories. These are the thermodynamically self consistent variational modified hypernetted chain integral equation theory and the linearized version of the Weeks-Chandler-Andersen thermodynamic perturbation theory of liquids. The viscosity is calculated on the assumption that this property of a liquid metal resembles that of an appropriate hard sphere liquid. Theoretical results for both properties are found to be in good agreement with available experimental data.