Campus Units
Chemistry, Ames Laboratory
Document Type
Article
Publication Version
Published Version
Publication Date
9-2012
Journal or Book Title
Physical Review E
Volume
86
Issue
3
First Page
1
Last Page
5
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
Recommended Citation
Warshavsky, Vadim B. and Song, Xueyu, "Perturbation Theory of Solid-Liquid Interfacial Free Energies of Bcc Metals" (2012). Ames Laboratory Publications. 375.
https://lib.dr.iastate.edu/ameslab_pubs/375
Comments
This article is from P{hysical Review E 86 (2012): 031602, doi:10.1103/PhysRevE.86.031602. Posted with permission.