Transformation of non-screw super-dislocation dipoles in M3Al (M=Ni, Fe, Ti) intermetallics: High-throughput atomistic modeling
文献类型：期刊论文
| 作者 | Zhen, Z.1,5,6; Wang, S. Y.3,5,6; Liu, R. L.2; Meng, Z. C.5,6; Teng, C. Y.4; Xu, D. S.5,6; Bai, C. G.5,6; Zhang, Y. W.3; Wang, H.2; Yang, R.5 |
| 刊名 | JOURNAL OF ALLOYS AND COMPOUNDS
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| 出版日期 | 2023-10-05 |
| 卷号 | 958页码:14 |
| 关键词 | Intermetallics Dislocation Point defect Activation -relaxation technique High -throughput calculation |
| ISSN号 | 0925-8388 |
| DOI | 10.1016/j.jallcom.2023.170437 |
| 通讯作者 | Bai, C. G.(cgbai@imr.ac.cn) ; Zhang, Y. W.(zhangyanwei2010@cgnpc.com.cn) ; Wang, H.(haowang7@usst.edu.cn) |
| 英文摘要 | Super-dislocations make a significant contribution to the plasticity of intermetallic compounds, in particular the fatigue and creep properties. Nevertheless, super-dislocation dipoles have seldom been visited due the technical difficult in both experimental observation and theoretical computation. In this work, superdislocation dipoles in M3Al (M=Ni, Fe, Ti) are systematically investigated by atomistic simulations, with a variety of super-lattice types, dipole heights, orientations and annealing temperatures. In L12-Ni3Al, D03Fe3Al and D019-Ti3Al, the relative stability of super-dipoles increases with the dipole height. Despite the similarity to pure metals with FCC, BCC and HCP structures, there exists a significantly large number of pathways with extremely low activation energy for the transformation from super-dipoles to point defects. The results of super-dipole transformation can be integrated into mesoscale or constitutive models to evaluate the influence of super-dislocation self-interaction on the mechanical properties. (c) 2023 Elsevier B.V. All rights reserved. |
| 资助项目 | National Natural Science Foundation of China[U2241245] ; National Natural Science Foundation of China[91960202] ; Shanghai Engineering Research Center of High -Performance Medical Device Materials[20DZ2255500] |
| WOS研究方向 | Chemistry ; Materials Science ; Metallurgy & Metallurgical Engineering |
| 语种 | 英语 |
| WOS记录号 | WOS:001004041200001 |
| 出版者 | ELSEVIER SCIENCE SA |
| 资助机构 | National Natural Science Foundation of China ; Shanghai Engineering Research Center of High -Performance Medical Device Materials |
| 源URL | [http://ir.imr.ac.cn/handle/321006/178207]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 通讯作者 | Bai, C. G.; Zhang, Y. W.; Wang, H. |
| 作者单位 | 1.Shenyang Univ Chem Technol, Shenyang 110142, Peoples R China 2.Univ Shanghai Sci & Technol, Interdisciplinary Ctr Addit Mfg ICAM, Sch Mat & Chem, Shanghai 200093, Peoples R China 3.Suzhou Nucl Power Res Inst, Suzhou, Peoples R China 4.AV Aeropolytechnol Estab, Beijing 100028, Peoples R China 5.Chinese Acad Sci, Inst Met Res, Shenyang 110016, Peoples R China 6.Univ Sci & Technol China, Sch Mat Sci & Engn, Shenyang 110016, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhen, Z.,Wang, S. Y.,Liu, R. L.,et al. Transformation of non-screw super-dislocation dipoles in M3Al (M=Ni, Fe, Ti) intermetallics: High-throughput atomistic modeling[J]. JOURNAL OF ALLOYS AND COMPOUNDS,2023,958:14. |
| APA | Zhen, Z..,Wang, S. Y..,Liu, R. L..,Meng, Z. C..,Teng, C. Y..,...&Yang, R..(2023).Transformation of non-screw super-dislocation dipoles in M3Al (M=Ni, Fe, Ti) intermetallics: High-throughput atomistic modeling.JOURNAL OF ALLOYS AND COMPOUNDS,958,14. |
| MLA | Zhen, Z.,et al."Transformation of non-screw super-dislocation dipoles in M3Al (M=Ni, Fe, Ti) intermetallics: High-throughput atomistic modeling".JOURNAL OF ALLOYS AND COMPOUNDS 958(2023):14. |
入库方式： OAI收割
来源：金属研究所
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