Structure and effective interactions in three-component hard sphere liquids

Anja König and N. W. Ashcroft
Phys. Rev. E 63, 041203 – Published 29 March 2001
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Abstract

Complete and simple analytical expressions for the partial structure factors of the ternary hard sphere mixture are obtained within the Percus-Yevick approximation and presented as functions of relative packing fractions and relative hard sphere diameters. These solutions follow from the Laplace transform method as applied to multicomponent systems by Lebowitz [Phys. Rev. 133, A895 (1964)]. As an important application, we examine effective interactions in hard sphere liquid mixtures using the microscopic information contained in their partial structure factors. Thus the ensuring pair potential for an effective one-component system is obtained from the correlation functions by using an approximate inversion, and examples of effective potentials for three-component hard sphere mixtures are given. These mixtures may be of particular interest for the study of the packing aspects of melts that form glasses or quasicrystals, since noncrystalline solids often emerge from melts with at least three atomic constituents.

  • Received 13 October 2000

DOI:https://doi.org/10.1103/PhysRevE.63.041203

©2001 American Physical Society

Authors & Affiliations

Anja König and N. W. Ashcroft

  • Cornell Center for Materials Research and the Laboratory of Atomic and Solid State Physics, Cornell University, Ithaca, New York 14853-2501

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Issue

Vol. 63, Iss. 4 — April 2001

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