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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
Source PublicationScripta Materialia
ISSN1359-6462
Volume60Issue:8Pages:659-662
AbstractThe 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.
description.department[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
KeywordPlatinum Group Electronic Structure Density Functional Co-based Alloys Ni3al Substitution Temperature Superalloys
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Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/31829
Collection中国科学院金属研究所
Recommended Citation
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.
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