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Article
Calculations of Free Energies in Liquid and Solid Phases: Fundamental Measure Density-Functional Approach
Physical Review E
  • Vadim B. Warshavsky, Iowa State University
  • Xueyu Song, Iowa State University
Document Type
Article
Disciplines
Publication Version
Published Version
Publication Date
6-1-2004
DOI
10.1103/PhysRevE.69.061113
Abstract

In this paper, a theoretical description of the free energies and correlation functions of hard-sphere (HS) liquid and solid phases is developed using fundamental measure density-functional theory. Within the framework of Weeks-Chandler-Andersen perturbation theory, free energies of liquid and solid phases with many interaction potentials can be obtained from these characteristics of the HS system within a single theoretical description. An application to the Lennard-Jones system yields liquid-solid coexistence results in good agreement with the ones from simulations.

Comments

This article is from Physical Review E 69 (2004): 061113, doi:10.1103/PhysRevE.69.061113. Posted with permission.

Copyright Owner
American Physical Society
Language
e
File Format
application/pdf
Citation Information
Vadim B. Warshavsky and Xueyu Song. "Calculations of Free Energies in Liquid and Solid Phases: Fundamental Measure Density-Functional Approach" Physical Review E Vol. 69 (2004) p. 1 - 10
Available at: http://works.bepress.com/xueyu-song/15/