Temperature dependence of the diffusion and viscosity coefficients in liquid indium

摘要

The density or temperature dependence of velocity autocorrelation function VACF, self-diffusion coefficient and viscosity are studied using pseudopotential formalism. The VACF is obtained with the pair potential as required input for liquid indium using a simple analytical model for atomic motion. The modified empty-core potential, which represents the orthogonalisation effect due to s-core states in such sp-bonded metals, is used for electron-ion interaction. The hard sphere diameter is dependent upon temperature, and a method is developed for estimating this temperature dependence by exploring the relationship between the diameter and the structure factor of the liquid metal. Intrinsic temperature effects have been studied through a damping term in the pair potential. The calculated results for VACF, diffusion and viscosity coefficients have been compared with recent available data and discussed.