Simulation of shear viscosity in liquid metals

Abstract

The estimation of viscosity of liquid sodium and iron by using nonequilibrium molecular dynamics simulation was carried out. The used effective pair potential based on pseudopotential method reproduces excellently the temperature dependence of viscosity of liquid sodium. By using the experimentally determined pair potential from Born-Green equation and the effective pair potentials based on the hybridized expression of a nearly free electron and tight binding method, the temperature dependence of viscosities of liquid iron have been obtained. The obtained results are fair to good, qualitatively and semiquantitatively. For reference, g(r)'s and self diffusion constants based on the usual molecular dynamics simulation for these liquid metals were also performed and the results were satisfactory.