First-principles investigation on twin-related lattice reorientation in hexagonal metals and alloys
文献类型：期刊论文
| 作者 | Li, Z. Y.1; Zhou, G.2; Qiao, Y. X.1; Wang, H.3 |
| 刊名 | JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
 |
| 出版日期 | 2024 |
| 卷号 | 28页码:1834-1840 |
| 关键词 | Hexagonal Reorientation Alloying First principles High-throughput |
| ISSN号 | 2238-7854 |
| DOI | 10.1016/j.jmrt.2023.12.111 |
| 通讯作者 | Qiao, Y. X.(yxqiao@just.edu.cn) ; Wang, H.(haowang7@usst.edu.cn) |
| 英文摘要 | High-throughput ab initio calculations were employed to study the lattice reorientation process accompanying twinning under plastic deformation in hexagonal metals, as well as in alloyed Mg and Ti. The results indicate that, in unalloyed hexagonal metals, reorientation consumes the highest and lowest energies in Be and Mg, respectively, with intermediate energies in Sc, Co, Ti, Zr and Dy. The shuffle component always contributes a significant part of the reorientation energy in Mg, whereas in Ti with sufficient shear strain, subsequent reorientation process becomes energy downhill. In alloyed Mg and Ti, appropriate alloying significantly reduces the reorientation energy, and especially in alloyed Ti, there is significant negative correlation between the reorientation energy and certain properties of the alloying elements. The results are consistent with the fact that reorientation has been experimentally observed in compressed Mg nanopillars, but only in atomic scale sim-lations under high strain rate in Ti. |
| 资助项目 | National Natural Science Foundation of China[U2241245] ; National Natural Science Foundation of China[91960202] ; National Key Laboratory Foundation of Science and Technology on Materials under Shock and Impact[6142902220301] ; Aeronautical Science Foundation of China[2022Z053092001] ; Shanghai Engineering Research Center of High-Performance Medical Device Materials |
| WOS研究方向 | Materials Science ; Metallurgy & Metallurgical Engineering |
| 语种 | 英语 |
| WOS记录号 | WOS:001141184200001 |
| 出版者 | ELSEVIER |
| 资助机构 | National Natural Science Foundation of China ; National Key Laboratory Foundation of Science and Technology on Materials under Shock and Impact ; Aeronautical Science Foundation of China ; Shanghai Engineering Research Center of High-Performance Medical Device Materials |
| 源URL |  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 通讯作者 | Qiao, Y. X.; Wang, H. |
| 作者单位 | 1.Jiangsu Univ Sci & Technol, Sch Mat Sci & Engn, Zhenjiang 212003, Peoples R China 2.Chinese Acad Sci, Inst Met Res, Shenyang 110016, Peoples R China 3.Univ Shanghai Sci & Technol, Interdisciplinary Ctr Addit Mfg ICAM, Sch Mat & Chem, Shanghai 200093, Peoples R China |
| 推荐引用方式 GB/T 7714 | Li, Z. Y.,Zhou, G.,Qiao, Y. X.,et al. First-principles investigation on twin-related lattice reorientation in hexagonal metals and alloys[J]. JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T,2024,28:1834-1840. |
| APA | Li, Z. Y.,Zhou, G.,Qiao, Y. X.,&Wang, H..(2024).First-principles investigation on twin-related lattice reorientation in hexagonal metals and alloys.JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T,28,1834-1840. |
| MLA | Li, Z. Y.,et al."First-principles investigation on twin-related lattice reorientation in hexagonal metals and alloys".JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T 28(2024):1834-1840. |
入库方式： OAI收割
来源：金属研究所
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