期刊
COMPUTATIONAL MATERIALS SCIENCE
卷 143, 期 -, 页码 126-132出版社
ELSEVIER
DOI: 10.1016/j.commatsci.2017.11.005
关键词
Molecular dynamics; Grain boundaries; Niobium; Dislocation
资金
- BRNS, Department of Atomic Energy, India [DAE-984-MID]
In this article, molecular dynamics based simulations were performed to investigate structure, energy and tensile behaviour of niobium (Nb) bi-crystals containing symmetric and asymmetric tilt grain boundaries. Six symmetric and four Sigma 5 asymmetric tilt grain boundaries about < 1 0 0 > as tilt axis were generated in molecular dynamics based environment. Minimum grain boundary (GB) energy for each configuration was predicted, and subsequently the bi-crystal was subjected to tensile loading. The strengthening of bi-crystals in conjunction with dislocation evaluation was studied with the help of atomistic simulations, and results were further fitted with Taylor's work hardening expression. Simulations help in elucidating the effect of GBs and dislocations on the mechanical behaviour of Nb bi-crystals. (C) 2017 Elsevier B.V. All rights reserved.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据