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Article
Perturbation theory of solid-liquid interfacial free energies of bcc metals
Physical Review E
Document Type
Article
Disciplines
Publication Version
Published Version
Publication Date
9-1-2012
DOI
10.1103/PhysRevE.86.031602
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.
Copyright Owner
American Physical Society
Copyright Date
2012
Language
en
File Format
application/pdf
Citation Information
Vadim B. Warshavsky and Xueyu Song. "Perturbation theory of solid-liquid interfacial free energies of bcc metals" Physical Review E Vol. 86 Iss. 3 (2012) p. 031602 Available at: http://works.bepress.com/xueyu-song/31/
This article is published as Warshavsky, Vadim B., and Xueyu Song. "Perturbation theory of solid-liquid interfacial free energies of bcc metals." Physical Review E 86, no. 3 (2012): 031602. DOI: 10.1103/PhysRevE.86.031602. Posted with permission.