First-principles study of Be content on the structural and mechanical properties of TiAl alloy
文献类型：期刊论文
| 作者 | Y. L. Liu ; H. Li ; L. Zhang ; S. Q. Wang ; H. Q. Ye |
| 刊名 | Journal of Alloys and Compounds
 |
| 出版日期 | 2009 |
| 卷号 | 475期号:1-2页码:401-407 |
| 关键词 | Transition metal alloys and compounds Electronic properties Mechanical properties Anisotropy Computer simulations phase-transformation temperature deformation shear deformation microstructure compound behavior nb cr al dislocation |
| ISSN号 | 0925-8388 |
| 中文摘要 | The effect of large range Be addition (0-20.83 at.% Be) on the lattice distortion as well as dislocation mobility in TiAl was examined by density functional theory (DFT) calculations. The calculation of the formation energy showed that Be obviously decreases the phase stability. The shearing energy barrier of the TiAl alloys with Be solute is weakened by stages during the static shear deformation process. Further analysis of the partial density of states reveals that the physical origin is closely related with the content and atomic configuration of Be. The weakening effect of shearing energy barrier at the first stage occurs because of the decrement in the phase stability, which is induced by low Be addition related long-range alloying effect. The notable weakening effect at the second stage originates from the reduced p-d and enhanced p-p bonding, which is induced by large Be addition related short-range alloying interaction. (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/321006/32134]  |
| 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,L. Zhang,et al. First-principles study of Be content on the structural and mechanical properties of TiAl alloy[J]. Journal of Alloys and Compounds,2009,475(1-2):401-407. |
| APA | Y. L. Liu,H. Li,L. Zhang,S. Q. Wang,&H. Q. Ye.(2009).First-principles study of Be content on the structural and mechanical properties of TiAl alloy.Journal of Alloys and Compounds,475(1-2),401-407. |
| MLA | Y. L. Liu,et al."First-principles study of Be content on the structural and mechanical properties of TiAl alloy".Journal of Alloys and Compounds 475.1-2(2009):401-407. |
入库方式： OAI收割
来源：金属研究所
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