Thermodynamic Properties of the Fluid and Solid Phases for Inverse Power Potentials

作者：William Graham Hoover, Steven G. Gray, Keith W. Johnson · 发表于：The Journal of Chemical Physics · 年份：1971 · DOI：10.1063/1.1676196 · 被引用次数：486 · 研究领域：Phase Equilibria and Thermodynamics、Material Dynamics and Properties、High-pressure geophysics and materials

The two computer methods of Monte Carlo and lattice dynamics are used to determine fluid and face-centered-cubic solid thermodynamic properties for classical particles interacting with pairwise-additive inverse 4th, 6th, and 9th power potentials. These results, together with those already on hand for 12th power and hard-sphere potentials, provide a complete, and remarkably simple, description of the dependence of the pure-phase thermodynamics and the melting transition on the “softness” of the pair potential.