2011/03/03 by Sergey A. Khrapak, Gregor E. Morfill · 1 citation
Earth and Planetary Sciences · Engineering · Materials Science · Physics and Astronomy · #Material Dynamics and Properties #Phase Equilibria and Thermodynamics #cond-mat.other #cond-mat.soft #nanoparticles nucleation surface interactions
paper · pdf · doi:10.1063/1.3561698
published as J. Chem. Phys. 134, 094108 (2011) · 6 pages, 1 figure
openalex publication_date 2011/03/03 · arxiv created 2011/04/14 · arxiv updated 2011/11/30 · openalex created_date 2016/06/24 · openalex updated_date 2026/07/28
Analyzing three approximate methods to locate liquid–solid coexistence in simple systems, an observation is made that all of them predict the same functional dependence of the temperature on density at freezing and melting of the conventional Lennard-Jones (LJ) system. The emerging equations can be written as \documentclass[12pt]minimal\begindocumentT=\mathcal Aρ 4+\mathcal Bρ 2\enddocumentT=Aρ4+Bρ2 in normalized units. We suggest to determine the values of the coefficients \documentclass[12pt]minimal\begindocument\mathcal A\enddocumentA at freezing and melting from the high-temperature limit, governed by the inverse 12th power repulsive potential. The coefficients \documentclass[12pt]minimal\begindocument\mathcal B\enddocumentB can be determined from the triple point parameters of the LJ fluid. This produces freezing and melting equations which are exact in the high-temperature limit and at the triple point and show remarkably good agreement with numerical simulation data in the intermediate region.