First-principles study of shear deformation in TiAl and Ti3Al
文献类型：期刊论文
| 作者 | Y. L. Liu ; L. M. Liu ; S. Q. Wang ; H. Q. Ye |
| 刊名 | Intermetallics
 |
| 出版日期 | 2007 |
| 卷号 | 15期号:3页码:428-435 |
| 关键词 | multiphase intermetallics plastic deformation mechanisms Ab initio calculations phase stability prediction aero-engine components stacking-fault energies phase-transformation alloying elements dislocation nucleation electronic-structure elastic-constants room-temperature tensile-strength 1st principles al |
| ISSN号 | 0966-9795 |
| 中文摘要 | The phase transition of titanium aluminides during the shear deformation is one of the most interesting issues. Using the DFF calculations, the shear deformation behaviors in gamma-TiAl and alpha(2)-Ti3Al were investigated to understand the intrinsic mechanisms of phase transitions. The stress-strain curves present that, the 1/6[11 (2) over bar](111) shear deformation, whose maximum internal strength is 4.30 GPa, is the easiest way in gamma-TiAl. Meanwhile, the shear deformation in TiAl is more difficult than that of 1/3[10 (1) over bar0](0001) shear process in Ti3Al, whose maximum internal strength is 2.86 GPa. These results reveal that the alpha(2) -> gamma phase transition happens more easily than the reverse transformation. The further analysis of the elastic constants and the partial density of states (PDOS) exhibits the main reasons as (i) TiAl has larger shear constants than TiAl, and (ii) the Ti-Al bonding is stronger than that of Ti-Ti in TiAl, while Ti3Al shows the contrasting feature. (c) 2006 Elsevier Ltd. All rights reserved. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/33722]  |
| 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 and Ti3Al[J]. Intermetallics,2007,15(3):428-435. |
| APA | Y. L. Liu,L. M. Liu,S. Q. Wang,&H. Q. Ye.(2007).First-principles study of shear deformation in TiAl and Ti3Al.Intermetallics,15(3),428-435. |
| MLA | Y. L. Liu,et al."First-principles study of shear deformation in TiAl and Ti3Al".Intermetallics 15.3(2007):428-435. |
入库方式： OAI收割
来源：金属研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。