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Residual Multiparticle Entropy Does Not Generally Change Sign Near Freezing

Published

Author(s)

William P. Krekelberg, Vincent K. Shen, Jeffrey R. Errington, Thomas M. Truskett

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

Keywords

entropy, freezing, hard hyperspheres, hard spheres, molecular dynamics, Monte Carlo, thermodynamics

Citation

Krekelberg, W. , Shen, V. , Errington, J. and Truskett, T. (2008), Residual Multiparticle Entropy Does Not Generally Change Sign Near Freezing, Journal of Chemical Physics (Accessed February 25, 2024)
Created April 12, 2008, Updated October 12, 2021