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Cross-slip process in model Ni(Al) solid solution: An embedded-atom method study
J. P. Du; C. Y. Wang; T. Yu
2014
Source PublicationComputational Materials Science
ISSN0927-0256
Volume91Pages:192-199
AbstractThe cross-slip process of a screw dislocation in model Ni(Al) random solid solution is studied using the climbing image nudged elastic band method with an embedded-atom method potential. The average stacking fault energy of model Ni(Al) solid solution decreases with increasing Al concentration from 0 to 10 at.%. However, the average activation energy under zero stress shows an initial increase and then plateaus with increasing concentration of Al. The excess activation energy is determined by comparing with results from linear-elastic continuum theory. The short-range repulsive solute atom pair and its interaction with the dislocation provide the excess activation energy in the cross-slip process of model Ni(Al) solid solution. (C) 2014 Elsevier B.V. All rights reserved.
description.department[du, jun-ping ; wang, chong-yu ; yu, tao] cent iron & steel res inst, beijing 100081, peoples r china. [wang, chong-yu] tsinghua univ, dept phys, beijing 100084, peoples r china. [wang, chong-yu] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china. ; wang, cy (reprint author), tsinghua univ, dept phys, beijing 100084, peoples r china. ; dujunping2001@gmail.com ; cywang@mail.tsinghua.edu.cn ; ytao012345@163.com
KeywordAtomistic Simulations Embedded-atom Potential Cross-slip Process Model Ni(Al) Solid Solution Elastic Band Method Screw Dislocation Intersections Centered-cubic Nickel Minimum Energy Paths Atomistic Simulations Molecular-dynamics Lattice-defects Saddle-points Fcc Metals Hydrogen
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Language英语
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/73218
Collection中国科学院金属研究所
Recommended Citation
GB/T 7714
J. P. Du,C. Y. Wang,T. Yu. Cross-slip process in model Ni(Al) solid solution: An embedded-atom method study[J]. Computational Materials Science,2014,91:192-199.
APA J. P. Du,C. Y. Wang,&T. Yu.(2014).Cross-slip process in model Ni(Al) solid solution: An embedded-atom method study.Computational Materials Science,91,192-199.
MLA J. P. Du,et al."Cross-slip process in model Ni(Al) solid solution: An embedded-atom method study".Computational Materials Science 91(2014):192-199.
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