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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 PublicationChinese Physics B
ISSN1674-1056
Volume23Issue:11
AbstractThe 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
KeywordMolecular 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
Identifierhttp://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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