First-principles study of alloying effect of Re on properties of Ni/Ni3Al interface
文献类型：期刊论文
| 作者 | P. Peng ; A. K. Soh ; R. Yang ; Z. Q. Hu |
| 刊名 | Computational Materials Science
 |
| 出版日期 | 2006 |
| 卷号 | 38期号:2页码:354-361 |
| 关键词 | interface structure first-principle electron theory alloying effects single-crystal superalloys gamma/gamma' interface electronic-structure atom-probe principles elements gamma' ru |
| ISSN号 | 0927-0256 |
| 中文摘要 | A first principles investigation of alloying effects of Re on the properties of Ni/Ni3Al interface was conducted using a plane-wave pseudopotential method. Re atoms were found to occupy Ni sites of the interface region in the following order of preference: gamma-Ni block, coherent (002) interface, gamma'-Ni3Al block. A series of interface models were constructed and the influence of the presence and location of Re atoms on the local interatomic interactions at the Ni/Ni3Al interface was evaluated in terms of Griffith rupture work and Mulliken's population analysis. Consistent with experimental fact, the substitution of Re for Ni at the coherent interfacial layer was found beneficial for improving the rupture strength and toughness of the Ni/Ni3Al interface. (c) 2006 Elsevier B.V. All rights reserved. |
| 原文出处 | |
| 公开日期 | 2012-04-14 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/34425]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 推荐引用方式 GB/T 7714 | P. Peng,A. K. Soh,R. Yang,et al. First-principles study of alloying effect of Re on properties of Ni/Ni3Al interface[J]. Computational Materials Science,2006,38(2):354-361. |
| APA | P. Peng,A. K. Soh,R. Yang,&Z. Q. Hu.(2006).First-principles study of alloying effect of Re on properties of Ni/Ni3Al interface.Computational Materials Science,38(2),354-361. |
| MLA | P. Peng,et al."First-principles study of alloying effect of Re on properties of Ni/Ni3Al interface".Computational Materials Science 38.2(2006):354-361. |
入库方式： OAI收割
来源：金属研究所
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