Symmetric tilt boundaries in body-centered cubic tantalum

被引：44

作者：

Hahn, Eric N. ^{[1
,2
]}

Fensin, Saryu J. ^{[2
]}

Germann, Timothy C. ^{[2
]}

Meyers, Marc A. ^{[1
]}

机构：

[1] Univ Calif San Diego, La Jolla, CA 92093 USA

[2] Los Alamos Natl Lab, Los Alamos, NM 94550 USA

来源：

SCRIPTA MATERIALIA | 2016年 / 116卷

关键词：

Coincidence lattice; Grain boundary structure; Grain boundary energy; Molecular dynamics (MD); Transition metals; BCC TRANSITION-METALS; GRAIN-BOUNDARIES; ATOMIC-STRUCTURE; FREE-VOLUME; ENERGY; SIGMA-5; COPPER;

D O I：

10.1016/j.scriptamat.2016.01.038

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

Grain boundaries can play a significant role in the mechanical response of materials. Atomistic simulations are used to investigate 79 coincidence site lattice grain boundary structures and energies in tantalum, a model body-centered cubic transition metal. Quasi-symmetric Sigma 3, Sigma 5, Sigma 7, Sigma 13, and Sigma 27 boundaries are observed, of which Sigma 3 and Sigma 7 also exist as traditional mirror-symmetry conserving boundary structures. These results are supported by previous observations of similar phenomena in other bcc transition metal Sigma 5 boundaries. Metastable low energy Sigma 3 boundary structures in tantalum could influence the formation and stability of deformation twins and abnormal growth grain favoring Sigma 3 boundaries. (C) 2016 Elsevier Ltd. All rights reserved.

引用

页码：108 / 111

页数：4

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