| Literature DB >> 16821986 |
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