A First-Principles Study on Basal/Prismatic Reorientation-Induced Twinning Path and Alloying Effect in Hexagonal Metals
文献类型：期刊论文
| 作者 | Zhou Gang1,2; Ye Lihua2; Wang Hao2; Xu Dongsheng2; Meng Changgong1; Yang Rui2 |
| 刊名 | ACTA METALLURGICA SINICA
 |
| 出版日期 | 2018-04-01 |
| 卷号 | 54期号:4页码:603-612 |
| 关键词 | hexagonal metal twinning first principles calculation alloying |
| ISSN号 | 0412-1961 |
| DOI | 10.11900/0412.1961.2017.00252 |
| 通讯作者 | Wang Hao(haowang@imr.ac.cn) |
| 英文摘要 | In hexagonal metals and alloys, deformation twinning plays an important role, because it is closely relevant to the mechanical behaviors. Recent studies have proposed a new twinning mode via direct lattice reorientation, which results in the basal/prismatic boundary, however, some important details remain unanswered, e.g., the twinning path and alloying effect. In this work, first principles calculations were employed to systematically study the reorientation process from basal to prismatic orientation in hexagonal metals and corresponding alloying effect. The result indicates that different activation energies are required to reorient in various hexagonal metals, and among them, the energy in Mg is the lowest and Os is the highest. Shear and shuffle components compose the reorientation process, where the shuffle component always contributes a significant part of the activation energy in Mg, whereas in Ti with sufficient shear strain, subsequent transition becomes energy-downhill. The pure shear was effected by alloying elements in Mg alloys, but pure shuffle in Ti alloys. Under certain shear or shuffle, subsequent activation energy has a complex dependence on alloying elements. |
| 资助项目 | National Key Research and Development Program of China[2016YFB0701304] ; National Natural Science Foundation of China[51671195] |
| WOS研究方向 | Metallurgy & Metallurgical Engineering |
| 语种 | 英语 |
| WOS记录号 | WOS:000433006500014 |
| 出版者 | SCIENCE PRESS |
| 资助机构 | National Key Research and Development Program of China ; National Natural Science Foundation of China |
| 源URL | [http://ir.imr.ac.cn/handle/321006/128505]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 通讯作者 | Wang Hao |
| 作者单位 | 1.Dalian Univ Technol, Sch Mat Sci & Engn, Dalian 116024, Peoples R China 2.Chinese Acad Sci, Inst Met Res, Shenyang 110016, Liaoning, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhou Gang,Ye Lihua,Wang Hao,et al. A First-Principles Study on Basal/Prismatic Reorientation-Induced Twinning Path and Alloying Effect in Hexagonal Metals[J]. ACTA METALLURGICA SINICA,2018,54(4):603-612. |
| APA | Zhou Gang,Ye Lihua,Wang Hao,Xu Dongsheng,Meng Changgong,&Yang Rui.(2018).A First-Principles Study on Basal/Prismatic Reorientation-Induced Twinning Path and Alloying Effect in Hexagonal Metals.ACTA METALLURGICA SINICA,54(4),603-612. |
| MLA | Zhou Gang,et al."A First-Principles Study on Basal/Prismatic Reorientation-Induced Twinning Path and Alloying Effect in Hexagonal Metals".ACTA METALLURGICA SINICA 54.4(2018):603-612. |
入库方式： OAI收割
来源：金属研究所
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