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 Publication | Scripta Materialia
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ISSN | 1359-6462 |
Volume | 60Issue:8Pages:659-662 |
Abstract | 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. |
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 |
Keyword | Platinum Group Electronic Structure Density Functional Co-based Alloys Ni3al Substitution Temperature Superalloys |
URL | 查看原文 |
Document Type | 期刊论文 |
Identifier | http://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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