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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:
;
Publication Date:
Research Org.:
Ames Laboratory (AMES), Ames, IA (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1060755
Report Number(s):
IS-J 7815
Journal ID: 1539-3755
DOE Contract Number:  
DE-AC02-07CH11358
Resource Type:
Journal Article
Journal Name:
Physical Review E
Additional Journal Information:
Journal Volume: 86
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Warshavsky, Vadim B, and Song, Xueyu. Perturbation theory of solid-liquid interfacial free energies of bcc metals. United States: N. p., 2012. Web. doi:10.1103/PhysRevE.86.031602.
Warshavsky, Vadim B, & Song, Xueyu. Perturbation theory of solid-liquid interfacial free energies of bcc metals. United States. doi:10.1103/PhysRevE.86.031602.
Warshavsky, Vadim B, and Song, Xueyu. Tue . "Perturbation theory of solid-liquid interfacial free energies of bcc metals". United States. doi:10.1103/PhysRevE.86.031602.
@article{osti_1060755,
title = {Perturbation theory of solid-liquid interfacial free energies of bcc metals},
author = {Warshavsky, Vadim B and Song, Xueyu},
abstractNote = {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.},
doi = {10.1103/PhysRevE.86.031602},
journal = {Physical Review E},
number = ,
volume = 86,
place = {United States},
year = {2012},
month = {9}
}