Literature DB >> 16821986

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

Franz Saija1, Santi Prestipino, Paolo V Giaquinta.   

Abstract

We test the validity of some widely used phenomenological criteria for the localization of the fluid-solid transition thresholds against the phase diagrams of particles interacting through the exp-6, inverse-power-law, and Gaussian potentials. We find that one-phase rules give, on the whole, reliable estimates of freezing/melting points. The agreement is ordinarily better for a face-centered-cubic solid than for a body-centered-cubic crystal, even more so in the presence of a pressure-driven reentrant transition of the solid into a denser fluid phase, as found in the Gaussian-core model.

Entities:  

Year:  2006        PMID: 16821986     DOI: 10.1063/1.2208357

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


  1 in total

1.  Residual multiparticle entropy does not generally change sign near freezing.

Authors:  William P Krekelberg; Vincent K Shen; Jeffrey R Errington; Thomas M Truskett
Journal:  J Chem Phys       Date:  2008-04-28       Impact factor: 3.488

  1 in total

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