Knowledge Management System Of Institute of metal research,CAS
Effect of Re on stacking fault nucleation under shear strain in Ni by atomistic simulation | |
Z. G. Liu; C. Y. Wang; T. Yu | |
2014 | |
Source Publication | Chinese Physics B
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ISSN | 1674-1056 |
Volume | 23Issue:11 |
Abstract | The effect of Re on stacking fault (SF) nucleation under shear strain in Ni is investigated using the climbing image nudged elastic band method with a Ni-Al-Re embedded-atom-method potential. A parameter (Delta E-sf(b)), the activation energy of SF nucleation under shear strain, is introduced to evaluate the effect of Re on SF nucleation under shear strain. Calculation results show that Delta E-sf(b) decreases with Re addition, which means that SF nucleation under shear strain in Ni may be enhanced by Re. The atomic structure observation shows that the decrease of Delta E-sf(b) may be due to the expansion of local structure around the Re atom when SF goes through the Re atom. |
description.department | [liu zheng-guang ; wang chong-yu ; yu tao] cent iron & steel res inst, beijing 100081, peoples r china. [liu zheng-guang] north univ china, dept phys, taiyuan 030051, peoples r china. [wang chong-yu] tsinghua univ, dept phys, beijing 100084, peoples r china. [wang chong-yu] acad sinica, int ctr mat phys, shenyang 110016, peoples r china. ; wang, cy (reprint author), cent iron & steel res inst, beijing 100081, peoples r china. ; cywang@mail.tsinghua.edu.cn |
Keyword | Molecular Dynamics Activation Energy Stacking Fault Nucleation Minimum Energy Paths Elastic Band Method Saddle-points Crack-tip Fracture |
URL | 查看原文 |
Language | 英语 |
Document Type | 期刊论文 |
Identifier | http://ir.imr.ac.cn/handle/321006/73319 |
Collection | 中国科学院金属研究所 |
Recommended Citation GB/T 7714 | Z. G. Liu,C. Y. Wang,T. Yu. Effect of Re on stacking fault nucleation under shear strain in Ni by atomistic simulation[J]. Chinese Physics B,2014,23(11). |
APA | Z. G. Liu,C. Y. Wang,&T. Yu.(2014).Effect of Re on stacking fault nucleation under shear strain in Ni by atomistic simulation.Chinese Physics B,23(11). |
MLA | Z. G. Liu,et al."Effect of Re on stacking fault nucleation under shear strain in Ni by atomistic simulation".Chinese Physics B 23.11(2014). |
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