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Fluid-solid demixing in four and five dimensional asymmetric binary hard hypersphere mixtures.

作者信息

Bishop Marvin, Whitlock Paula A

机构信息

Department of Mathematics, Manhattan College, Manhattan College Parkway, Riverdale, New York 10471, USA.

Department of Computer and Information Sciences, Brooklyn College, 2900 Bedford Avenue, Brooklyn, New York 11210, USA.

出版信息

J Chem Phys. 2019 Apr 21;150(15):154506. doi: 10.1063/1.5086169.

Abstract

Additive asymmetric binary mixtures of hard hyperspheres in four and five dimensions are investigated by Monte Carlo simulations. These investigations probe systems with diameter ratios of 0.4 and 0.5 in which the larger hyperspheres are dominant at a mole fraction of 3/4. At the lower densities, the equations of state compare well with molecular dynamics data and a variety of theoretical predictions. When the mixture enters the metastable, two-phase regime, the smaller hyperspheres exhibit unusual phenomena as the system density increases. To understand this behavior, the mean-square displacement at equilibrium from initial lattice positions, the various pair correlation functions, and occupancy numbers are calculated. In addition, the characteristics of an initially demixed system are studied.

摘要

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