| Transformation of non-screw super-dislocation dipoles in M3Al (M=Ni, Fe, Ti) intermetallics: High-throughput atomistic modeling | |
| Zhen, Z.1,2,4; Wang, S. Y.1,2,5; Liu, R. L.3; Meng, Z. C.1,2; Teng, C. Y.6; Xu, D. S.1,2; Bai, C. G.1,2; Zhang, Y. W.5; Wang, H.3; Yang, R.1 | |
| Corresponding Author | Bai, C. G.(cgbai@imr.ac.cn) ; Zhang, Y. W.(zhangyanwei2010@cgnpc.com.cn) ; Wang, H.(haowang7@usst.edu.cn) |
| 2023-10-05 | |
| Source Publication | JOURNAL OF ALLOYS AND COMPOUNDS
 |
| ISSN | 0925-8388 |
| Volume | 958Pages:14 |
| Abstract | 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. |
| Keyword | Intermetallics Dislocation Point defect Activation -relaxation technique High -throughput calculation |
| Funding Organization | National Natural Science Foundation of China ; Shanghai Engineering Research Center of High -Performance Medical Device Materials |
| DOI | 10.1016/j.jallcom.2023.170437 |
| Indexed By | SCI |
| Language | 英语 |
| Funding Project | 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 Research Area | Chemistry ; Materials Science ; Metallurgy & Metallurgical Engineering |
| WOS Subject | Chemistry, Physical ; Materials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering |
| WOS ID | WOS:001004041200001 |
| Publisher | ELSEVIER SCIENCE SA |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.imr.ac.cn/handle/321006/178208 |
| Collection | 中国科学院金属研究所 |
| Corresponding Author | Bai, C. G.; Zhang, Y. W.; Wang, H. |
| Affiliation | 1.Chinese Acad Sci, Inst Met Res, Shenyang 110016, Peoples R China 2.Univ Sci & Technol China, Sch Mat Sci & Engn, Shenyang 110016, Peoples R China 3.Univ Shanghai Sci & Technol, Interdisciplinary Ctr Addit Mfg ICAM, Sch Mat & Chem, Shanghai 200093, Peoples R China 4.Shenyang Univ Chem Technol, Shenyang 110142, Peoples R China 5.Suzhou Nucl Power Res Inst, Suzhou, Peoples R China 6.AV Aeropolytechnol Estab, Beijing 100028, Peoples R China |
| Recommended Citation 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. |
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