材料期刊网

THERMODYNAMIC PROPERTIES AND STRUCTURE CALCULATION OF ALKALI HALIDE MELTS WITH MONTE CARLO METHOD

XIE GangKunming Institute of Technology , Kunming , ChinaChen NianyiShanghai Institute of Metallurgy , Chinese Academy of Sciences , Shanghai , China

金属学报(英文版)

With Fumi-Tosi interaction potential, the thermodynamic properties and the structure of alkali halide melts have been calculated using Monte Carlo computer simulation. The ratial distribution function ,ionic coordination number and the local structure were computed for several systems. The obtained equilibrium properties are in good agreement with the experimental results.

关键词: molten salt , null , null