Perturbation theory for solid-liquid interfacial free energies

TitlePerturbation theory for solid-liquid interfacial free energies
Publication TypeJournal Article
Year of Publication2010
AuthorsWarshavsky VB, Song XY
Journal TitleJournal of Physics-Condensed Matter
Volume22
Pages364112
Date Published09/15
ISBN Number0953-8984
Accession NumberISI:000281422500014
Keywordsclassical solids, crystal-melt interfaces, density-functional theory, embedded-atom method, fluid, fundamental measure-theory, metals, point, surface-tension, vapor
Abstract

A perturbation theory is developed to calculate solid-liquid interfacial free energies, including anisotropy. The method is applied to systems with inverse-power and Lennard-Jones pair potentials as well as to metal systems with embedded-atom model potentials. The results are in reasonable agreement with the corresponding ones obtained from molecular dynamics simulations.

URL<Go to ISI>://000281422500014
DOI10.1088/0953-8984/22/36/364112