Effective pair interatomic potential and self-diffusion of molten tin

The interatomic potential and the structures of liquids are important to predict the diffusion coefficient. The effective pair interatomic potential of liquid tin was evaluated by the inverse scheme from experimental static structure factors, which were obtained by the use of neutron and X-ray scattering experiments at temperatures up to 1873 K. The interatomic potential obtained was applied to the molecular dynamics simulation and the diffusion coefficient of liquid tin was evaluated. The self-diffusion coefficient obtained was, even in the sense of temperature dependence, in good agreement with the experimental data, which were obtained with no convection under low gravity.