Nb effects on the structural and mechanical properties of TiAl alloy: Density-functional theory study
文献类型：期刊论文
| 作者 | Y. L. Liu ; H. Li ; S. Q. Wang ; H. Q. Ye |
| 刊名 | Journal of Materials Research
 |
| 出版日期 | 2009 |
| 卷号 | 24期号:10页码:3165-3173 |
| 关键词 | phase-transformation temperature deformation tensile properties shear deformation stacking-faults base alloys microstructure 1st-principles behavior al |
| ISSN号 | 0884-2914 |
| 中文摘要 | Nb can improve the oxidation resistance of TiAl; however, the reported concomitant effects on the mechanical properties are controversial. Therefore, the effect of different Nb additions (0-20.83 at.% Nb) on the lattice distortion as well as dislocation nucleation and mobility of TiAl were examined by density-functional theory calculations to solve the puzzle. The calculation of the formation energy and c/a ratio showed that Nb slightly decreases the phase stability and enhances the anisotropy. The variation of shearing energy barrier demonstrates an interesting staged strengthening effect of Nb on TiAl. Further analyses of the charge density difference and the partial density of states reveal that the physical origination is the electronic anisotropy, which is correlated with the Nb content and distribution. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://210.72.142.130/handle/321006/32133]  |
| 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. L. Liu,H. Li,S. Q. Wang,et al. Nb effects on the structural and mechanical properties of TiAl alloy: Density-functional theory study[J]. Journal of Materials Research,2009,24(10):3165-3173. |
| APA | Y. L. Liu,H. Li,S. Q. Wang,&H. Q. Ye.(2009).Nb effects on the structural and mechanical properties of TiAl alloy: Density-functional theory study.Journal of Materials Research,24(10),3165-3173. |
| MLA | Y. L. Liu,et al."Nb effects on the structural and mechanical properties of TiAl alloy: Density-functional theory study".Journal of Materials Research 24.10(2009):3165-3173. |
入库方式： OAI收割
来源：金属研究所
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