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Publication Citation: Residual Multiparticle Entropy Does Not Generally Change Sign Near Freezing

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Author(s): William P. Krekelberg; Vincent K. Shen; Jeffrey R. Errington; Thomas M. Truskett;
Title: Residual Multiparticle Entropy Does Not Generally Change Sign Near Freezing
Published: April 13, 2008
Abstract: The residual multiparticle entropy (RMPE) of two- and three-dimensional fluids changes sign near the freezing line, providing a quasi-universal one-phase rule for the location of the liquid-solid transition. We present new simulation results ford-dimensional hard-sphere fluids (d = 1 5) which show, however, that this freezing criterion fails in other spatial dimensions. The results also call into question the idea that a change in sign of the RMPE implies the emergence of a new kind of local structural order in the fluid.
Citation: Journal of Chemical Physics
Volume: 128
Pages: 3 pp.
Keywords: entropy;freezing;hard hyperspheres;hard spheres;molecular dynamics;Monte Carlo;thermodynamics
Research Areas: Condensed Matter Physics