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

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

2006-05-19

arxiv.org/abs/cond-mat/0605492v1

The Journal of Chemical Physics 124, 244504 (2006)

Physics

Condensed Matter

Soft Condensed Matter

16 pages, 3 figures, to appear in J. Chem. Phys

Scientific paper

10.1063/1.2208357

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 re-entrant transition of the solid into a denser fluid phase, as found in the Gaussian-core model.

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