Grain boundary energies in body-centered cubic metals

被引：193

作者：

Ratanaphan, Sutatch ^{[1
,2
]}

Olmsted, David L. ^{[3
]}

Bulatov, Vasily V. ^{[4
]}

Holm, Elizabeth A. ^{[1
]}

Rollett, Anthony D. ^{[1
]}

Rohrer, Gregory S. ^{[1
]}

机构：

[1] Carnegie Mellon Univ, Dept Mat Sci & Engn, Pittsburgh, PA 15213 USA

[2] King Mongkuts Univ Technol Thonburi, Dept Tool & Mat Engn, Bangkok 10140, Thailand

[3] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA

[4] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA

来源：

ACTA MATERIALIA | 2015年 / 88卷

基金：

美国国家科学基金会;

关键词：

Grain boundaries; Grain boundary energy; bcc metals; Atomistic calculations; BCC TRANSITION-METALS; FCC METALS; CHARACTER; TILT; DISTRIBUTIONS; MOLYBDENUM; NICKEL; STEEL; IRON; PARAMETERS;

D O I：

10.1016/j.actamat.2015.01.069

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Atomistic simulations using the embedded atom method were employed to compute the energies of 408 distinct grain boundaries in bcc Fe and Mo. This set includes grain boundaries that have tilt, twist, and mixed character and coincidence site lattices ranging from Sigma 3 to Sigma 323. The results show that grain boundary energies in Fe and Mo are influenced more by the grain boundary plane orientation than by the lattice misorientation or lattice coincidence. Furthermore, grain boundaries with (110) planes on both sides of the boundary have low energies, regardless of the misorientation angle or geometric character. Grain boundaries of the same type in Fe and Mo have strongly correlated energies that scale with the ratio of the cohesive energies of the two metals. (c) 2015 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

引用

页码：346 / 354

页数：9

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