The alloying mechanisms of Re, Ru in the quaternary Ni-based superalloys gamma/gamma ' interface: A first principles calculation
文献类型：期刊论文
| 作者 | Y. J. Wang ; C. Y. Wang |
| 刊名 | Materials Science and Engineering a-Structural Materials Properties Microstructure and Processing
 |
| 出版日期 | 2008 |
| 卷号 | 490期号:1-2页码:242-249 |
| 关键词 | Ni-based superalloys interface site preference strengthening partitioning single-crystal superalloys site substitution phase-stability lattice misfit pseudopotentials gamma'-ni3al temperature preference elements ni3al |
| ISSN号 | 0921-5093 |
| 中文摘要 | The site preference of Re, Ru on the y/y' interface and their influence on the partitioning behaviors of W, Mo in the y and y' phase have been investigated by DMol3 calculation. The transfer energy results show that both Re and Ru exhibit a weak Ni site preference. When Re substitutes Ni on the y/y' interface, it is found a reverse partitioning behavior of W, while the partitioning behavior of Mo was not affected. In contrast, Ru's substitution for Ni on the interface does not affect the partitioning behaviors of W, Mo, which is in agreement with experimental results. In addition, the different interface strengthening mechanisms for Re and Ru are investigated by the electronic structure analysis of the Mulliken population, the impurity-induced charge redistribution and the partial density of states. Results show that the alloying strengthening effect of Re is mainly due to the direct bonding of Re and the host atoms. Whereas, the addition of Ru is effective for improving the phase stability of Ni-based superalloys. (c) 2008 Elsevier B.V. All rights reserved. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://210.72.142.130/handle/321006/33164]  |
| 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 | Y. J. Wang,C. Y. Wang. The alloying mechanisms of Re, Ru in the quaternary Ni-based superalloys gamma/gamma ' interface: A first principles calculation[J]. Materials Science and Engineering a-Structural Materials Properties Microstructure and Processing,2008,490(1-2):242-249. |
| APA | Y. J. Wang,&C. Y. Wang.(2008).The alloying mechanisms of Re, Ru in the quaternary Ni-based superalloys gamma/gamma ' interface: A first principles calculation.Materials Science and Engineering a-Structural Materials Properties Microstructure and Processing,490(1-2),242-249. |
| MLA | Y. J. Wang,et al."The alloying mechanisms of Re, Ru in the quaternary Ni-based superalloys gamma/gamma ' interface: A first principles calculation".Materials Science and Engineering a-Structural Materials Properties Microstructure and Processing 490.1-2(2008):242-249. |
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来源：金属研究所
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