Saija Franz, Prestipino Santi, Giaquinta Paolo V
Istituto per i Processi Chimico-Fisici del CNR, Sezione di Messina, Via La Farina 237, 98123 Messina, Italy.
J Chem Phys. 2006 Jun 28;124(24):244504. doi: 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 reentrant transition of the solid into a denser fluid phase, as found in the Gaussian-core model.
