The effect of alloying elements on the dislocation climbing velocity in Ni: A first-principles study

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	The effect of alloying elements on the dislocation climbing velocity in Ni: A first-principles study
	X. X. Yu; C. Y. Wang
	2009
发表期刊	Acta Materialia
ISSN	1359-6454
卷号	57 期号:19 页码:5914-5920
摘要	By using density functional theory calculations in conjunction with the climbing images nudged elastic band method, the effects of alloying elements Re, W, Mo, Cr, Co and Ru on the velocity of dislocation climbing in gamma Ni were studied. The results shed a light on the mechanism of these elements suppressing the dislocation motion by connecting the stacking fault energy and the migration activation energy of vacancy with the dislocation climbing velocity. It is found that the elements can decrease the stacking fault energy of Ni and raise the migration activation energy of vacancy. The changes of these two energies result in the increase of the formation energy and the diffusion activation energy of the jog, thus the dislocation climbing is restricted. The results also reveal that the influences of alloying elements on dislocation climbing velocity depend on the characters of dislocations. Crown Copyright (C) 2009 Published by Elsevier Ltd. on behalf of Acta Materialia Inc. All rights reserved.
部门归属	[yu, xiao-xiang] tsinghua univ, dept mat sci & engn, beijing 100084, 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.;yu, xx (reprint author), tsinghua univ, dept mat sci & engn, beijing 100084, peoples r china;yuxx07@mails.tsinghua.edu.cn
关键词	Dislocation Dynamics Nickel Alloys First-principle Electron Theory High-temperature Creep Single-crystal Superalloys Stacking-fault Energy Augmented-wave Method Atom-probe Nickel Points
URL	查看原文
WOS记录号	WOS:000271668200026
引用统计	被引频次：87[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/32516
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	X. X. Yu,C. Y. Wang. The effect of alloying elements on the dislocation climbing velocity in Ni: A first-principles study[J]. Acta Materialia,2009,57(19):5914-5920.
APA	X. X. Yu,&C. Y. Wang.(2009).The effect of alloying elements on the dislocation climbing velocity in Ni: A first-principles study.Acta Materialia,57(19),5914-5920.
MLA	X. X. Yu,et al."The effect of alloying elements on the dislocation climbing velocity in Ni: A first-principles study".Acta Materialia 57.19(2009):5914-5920.