First-principles investigation of the site preference and alloying effect of Mo, Ta and platinum group metals in gamma '-Co(3)(Al, W)

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	First-principles investigation of the site preference and alloying effect of Mo, Ta and platinum group metals in gamma '-Co(3)(Al, W)
	M. Chen; C. Y. Wang
	2009
发表期刊	Scripta Materialia
ISSN	1359-6462
卷号	60 期号:8 页码:659-662
摘要	The alloying effect of Mo, Ta and platinum group metals on the properties of gamma'-Co(3)(Al, W) are studied using supercell models. It is demonstrated that Mo, Ta, Rh Ir and Pt can stabilize the gamma' phase, and three types of site preference are recognized. The binding energy and the lattice constant of the gamma' phase is modified and the distinct alloying effect of those elements is further revealed by investigating the impurity-induced charge density and the partial density of states. (C) 2009 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
部门归属	[chen, min; 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.;chen, m (reprint author), tsinghua univ, dept phys, beijing 100084, peoples r china;min-chen05@mails.tsinghua.edu.cn
关键词	Platinum Group Electronic Structure Density Functional Co-based Alloys Ni3al Substitution Temperature Superalloys
URL	查看原文
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/31829
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	M. Chen,C. Y. Wang. First-principles investigation of the site preference and alloying effect of Mo, Ta and platinum group metals in gamma '-Co(3)(Al, W)[J]. Scripta Materialia,2009,60(8):659-662.
APA	M. Chen,&C. Y. Wang.(2009).First-principles investigation of the site preference and alloying effect of Mo, Ta and platinum group metals in gamma '-Co(3)(Al, W).Scripta Materialia,60(8),659-662.
MLA	M. Chen,et al."First-principles investigation of the site preference and alloying effect of Mo, Ta and platinum group metals in gamma '-Co(3)(Al, W)".Scripta Materialia 60.8(2009):659-662.