Study on Sn-Sb alloy by Ab-Initio Molecular Dynamic Simulation

Sn-Sb alloy was the secondary resources of tin and antimony in metal recovery process and massively exist in the smelting and refining of crude tin. Vacuum distillation can effectively separate and recycle tin. Ab-initio molecular dynamics can reveal the microscopic atomic motion and provide theoretical basis for the separation of Sn-Sb alloy. The author calculated the Radial distribution function (RDF), coordination number (CN), Mean square displacement (MSD), diffusion coefficient (DC) and structure factor of the Sn-Sb system. The results showed that the Ab-initio molecular dynamics simulation can forecast the best experimental conditions in vacuum distillation.