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 December 11, 2024)
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Residual Multiparticle Entropy Does Not Generally Change Sign Near Freezing
Published
Author(s)
William P. Krekelberg, , 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
Pub Type
Journals
Keywords
entropy, freezing, hard hyperspheres, hard spheres, molecular dynamics, Monte Carlo, thermodynamics
Citation
Issues
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Created April 12, 2008, Updated October 12, 2021