Residual multiparticle entropy does not generally change sign near freezing

Department of Chemical Engineering, University of Texas at Austin, Austin, Texas 78712-0231, USA.
The Journal of Chemical Physics (Impact Factor: 2.95). 05/2008; 128(16):161101. DOI: 10.1063/1.2916697
Source: PubMed


The residual multiparticle entropy (RMPE) of two- and three-dimensional fluids changes sign near the freezing line, providing a quasiuniversal "one-phase" rule for the location of the liquid-solid transition. We present new simulation results for d-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.

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