Literature DB >> 18447412

Residual multiparticle entropy does not generally change sign near freezing.

William P Krekelberg1, 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 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.

Year:  2008        PMID: 18447412      PMCID: PMC2671177          DOI: 10.1063/1.2916697

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  13 in total

1.  Toy model for the mean-field theory of hard-sphere liquids

Authors: 
Journal:  Phys Rev E Stat Phys Plasmas Fluids Relat Interdiscip Topics       Date:  2000-11

2.  Freezing transition of hard hyperspheres.

Authors:  Reimar Finken; Matthias Schmidt; Hartmut Löwen
Journal:  Phys Rev E Stat Nonlin Soft Matter Phys       Date:  2001-12-14

3.  High dimensionality as an organizing device for classical fluids.

Authors:  H L Frisch; J K Percus
Journal:  Phys Rev E Stat Phys Plasmas Fluids Relat Interdiscip Topics       Date:  1999-09

4.  Solid-liquid phase coexistence of the Lennard-Jones system through phase-switch Monte Carlo simulation.

Authors:  Jeffrey R Errington
Journal:  J Chem Phys       Date:  2004-02-15       Impact factor: 3.488

5.  Evaluation of phenomenological one-phase criteria for the melting and freezing of softly repulsive particles.

Authors:  Franz Saija; Santi Prestipino; Paolo V Giaquinta
Journal:  J Chem Phys       Date:  2006-06-28       Impact factor: 3.488

6.  Excess-entropy-based anomalies for a waterlike fluid.

Authors:  Jeffrey R Errington; Thomas M Truskett; Jeetain Mittal
Journal:  J Chem Phys       Date:  2006-12-28       Impact factor: 3.488

7.  Packing hyperspheres in high-dimensional Euclidean spaces.

Authors:  Monica Skoge; Aleksandar Donev; Frank H Stillinger; Salvatore Torquato
Journal:  Phys Rev E Stat Nonlin Soft Matter Phys       Date:  2006-10-30

8.  Melting line of the Lennard-Jones system, infinite size, and full potential.

Authors:  Ethan A Mastny; Juan J de Pablo
Journal:  J Chem Phys       Date:  2007-09-14       Impact factor: 3.488

9.  Phase transitions in simple fluids: An application of a one-phase entropic criterion to Lennard-Jones and point Yukawa fluids.

Authors: 
Journal:  Phys Rev E Stat Phys Plasmas Fluids Relat Interdiscip Topics       Date:  1994-06

10.  Calculation of phase coexistence properties and surface tensions of n-alkanes with grand-canonical transition-matrix monte carlo simulation and finite-size scaling.

Authors:  Jayant K Singh; Jeffrey R Errington
Journal:  J Phys Chem B       Date:  2006-01-26       Impact factor: 2.991

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  2 in total

1.  Improving the efficiency of Monte Carlo simulations of ions using expanded grand canonical ensembles.

Authors:  Harold W Hatch; Steven W Hall; Jeffrey R Errington; Vincent K Shen
Journal:  J Chem Phys       Date:  2019-10-14       Impact factor: 3.488

2.  Residual Multiparticle Entropy for a Fractal Fluid of Hard Spheres.

Authors:  Andrés Santos; Franz Saija; Paolo V Giaquinta
Journal:  Entropy (Basel)       Date:  2018-07-23       Impact factor: 2.524

  2 in total

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