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

THERMODYNAMIC PROPERTIES AND STRUCTURE CALCULATION OF ALKALI HALIDE MELTS WITH MONTE CARLO METHOD
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摘要 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. 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.
出处 《Acta Metallurgica Sinica(English Letters)》 SCIE EI CAS CSCD 1994年第1期68-71,共4页 金属学报(英文版)
关键词 molten salt computer simulation thermodynamic property. molten salt, computer simulation, thermodynamic property.
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