First-principles study of shear deformation in TiAl alloys
文献类型：期刊论文
| 作者 | Y. L. Liu ; L. M. Liu ; S. Q. Wang ; H. Q. Ye |
| 刊名 | Journal of Alloys and Compounds
 |
| 出版日期 | 2007 |
| 卷号 | 440期号:1-2页码:287-294 |
| 关键词 | intermetallics composition fluctuations computer simulations phase transition al-ni alloys phase-transformation titanium aluminides 1st principles ti3al dislocation elements microstructure intermetallics stability |
| ISSN号 | 0925-8388 |
| 中文摘要 | The stress-induced phase-transition gamma-TiAl <-> alpha(2)-Ti3Al in TiAl alloys was systemically studied by density functional theory (DFT) calculations. We found that the key role in such phase-transition is the alloy composition. Firstly through studying the relationship between the formation energy, structure (fct and hcp) and alloy composition (Ti:Al = 1-3), we acquired that the stability of fct or hcp phases depends on the Ti:AI ratios. When the ratio meets about 1.5, the formation energies of fct and hcp phases are very close, which means both structures have the similar stability. Further shear deformation calculations on such alloys with different structures and compositions show that phases with Ti:Al value close to 1.5 have smaller dislocation nucleation energies and lower maximum shear strengths than those of the stoichiometric TiAl and Ti3Al phases. Such results not only reveal the composition's effect on the reversible phase transition, but also exhibit the intrinsic controlling role on the alloying properties. (c) 2006 Elsevier B.V. All rights reserved. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/33721]  |
| 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,L. M. Liu,S. Q. Wang,et al. First-principles study of shear deformation in TiAl alloys[J]. Journal of Alloys and Compounds,2007,440(1-2):287-294. |
| APA | Y. L. Liu,L. M. Liu,S. Q. Wang,&H. Q. Ye.(2007).First-principles study of shear deformation in TiAl alloys.Journal of Alloys and Compounds,440(1-2),287-294. |
| MLA | Y. L. Liu,et al."First-principles study of shear deformation in TiAl alloys".Journal of Alloys and Compounds 440.1-2(2007):287-294. |
入库方式： OAI收割
来源：金属研究所
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