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Calculations of Two and Three-Body Correlation Entropies at the Freezing Points of Soft-Core Fluids: Effect of the Softness on the Correlation Entropy
Abstract:Two and three-body correlation entropies of model fluids, in which particles interact each other through the 4th, 6th, 9th and 12th-inverse-power potentials, were calculated from their atomic configurations obtained by molecular dynamics simulations at their freezing points. Besides the soft-core fluid model with the inverse-power potentials, hard-sphere and classical one-component plasma models were employed to provide a comparison with the entropies of the soft-core model. The correlation entropies were plotted as a function of the softness of the potential. These values were also compared with the excess entropies of the hard-sphere and the one-component plasma models at their freezing points.
Keywords:Soft-core  Inverse-power Potential  Correlation Entropy  Excess Entropy
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