| Density functional theory study of Ni/Ni3Al interface alloying with Re and Ru | |
| C. Wang; C. Y. Wang | |
| 2008 | |
| Source Publication | Surface Science
 |
| ISSN | 0039-6028 |
| Volume | 602Issue:14Pages:2604-2609 |
| Abstract | The optimal geometries and mechanical properties of (0 0 1) Ni/Ni3Al interface alloying with Re and Ru are studied using density functional theory. By placing alloying elements on cleavage or slip interface planes, brittle cleavage and generalized stacking fault energies are calculated for (0 0 1) interface. Simulated results indicate that the preferred slip direction is < 1 1 0 > in (0 0 1) plane. Re and Ru atoms preferred to substitute AI site of gamma' phase. Both of doping Re and Ru enhance the coherent strength of interface, and additions of Re are more effective in strengthening interface compared with Ru. Based on the criteria for ductile behavior, our results show that Re and Ru are good candidates for improving ductility of gamma/gamma' superalloy. (C) 2008 Elsevier B.V. All rights reserved. |
| description.department | [wang, cong; 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.;wang, c (reprint author), tsinghua univ, dept phys, beijing 100084, peoples r china;wangcong00@mails.tsinghua.edu.cn |
| Keyword | Density Functional Calculations Alloys Metal-metal Interfaces Ni-base Superalloy Single-crystal Dislocation Nucleation Stacking Faults Ab-initio Crack-tip Phase Al Intermetallics 3rd-generation |
| URL | 查看原文 |
| WOS ID | WOS:000259062200046 |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.imr.ac.cn/handle/321006/33116 |
| Collection | 中国科学院金属研究所 |
| Recommended Citation GB/T 7714 | C. Wang,C. Y. Wang. Density functional theory study of Ni/Ni3Al interface alloying with Re and Ru[J]. Surface Science,2008,602(14):2604-2609. |
| APA | C. Wang,&C. Y. Wang.(2008).Density functional theory study of Ni/Ni3Al interface alloying with Re and Ru.Surface Science,602(14),2604-2609. |
| MLA | C. Wang,et al."Density functional theory study of Ni/Ni3Al interface alloying with Re and Ru".Surface Science 602.14(2008):2604-2609. |
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