PMID: 15244546Jul 13, 2004Paper

Calculations of free energies in liquid and solid phases: fundamental measure density-functional approach

Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
Vadim B Warshavsky, Xueyu Song

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.

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Citations

Feb 2, 2010·The Journal of Chemical Physics·S K Lai, Xuhui Xiao
Jul 20, 2006·The Journal of Chemical Physics·Huanyang Chen, Hongru Ma
Jul 6, 2014·The Journal of Chemical Physics·Ayumi SuematsuTakashi Odagaki
Mar 10, 2011·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Vadim B Warshavsky, Xueyu Song
Apr 12, 2006·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Vadim B Warshavsky, Xueyu Song
Feb 7, 2008·Physical Chemistry Chemical Physics : PCCP·José A PomposoJavier Rodríguez
May 14, 2016·Physical Review. E·Vadim Warshavsky, Marcelo Marucho
May 10, 2016·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Stanislav O YurchenkoAlexei V Ivlev
Jul 23, 2008·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Vadim B Warshavsky, Xueyu Song
Oct 10, 2006·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·James F Lutsko
Apr 8, 2019·The Journal of Chemical Physics·Vadim B WarshavskyDavid M Ford
Dec 11, 2014·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·K G S H GunawardanaXueyu Song

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