title: Perturbation theory of solid-liquid interfacial free energies of bcc metals.
abstract: A perturbation theory is used to calculate bcc solid-liquid interfacial free energies of metallic systems with embedded-atom model potentials. As a reference system for bcc crystals we used a single-occupancy cell, hard-sphere bcc system. Good agreements between the perturbation theory results and the corresponding results from simulations are found. The strategy to extract hard-sphere bcc solid-liquid interfacial free energies may have broader applications for other crystal lattices.
authors.affiliation: Ames Laboratory and Department of Chemistry, Iowa State University, Ames, Iowa 50011, USA.
authors.forename: Vadim B
authors.initials: VB
authors.lastname: Warshavsky
authors.forename: Xueyu
authors.initials: X
authors.lastname: Song