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Unconventional non-uniform local lattice distortion in dilute Ti-Mo solid solution
Hu, Qing-Miao; Yang, Rui
Corresponding AuthorHu, Qing-Miao(qmhu@imr.ac.cn)
2020-09-15
Source PublicationACTA MATERIALIA
ISSN1359-6454
Volume197Pages:91-96
AbstractThe substitutional solute atom induced local lattice distortion (LLD) in dilute metal solid solution was believed to be uniform because the solute atom was supposed to occupy the high symmetry lattice site without breaking the point group symmetry of the crystal lattice. Contrary to this conventional picture, we report in this paper that substitutional Mo atom in Ti-Mo solid solution occupies an off-center position instead of the high symmetry lattice site and leads to highly non-uniform LLD, as evidenced by our first principles calculations. The physics underlying the off-center occupation and non-uniform LLD are shown to be the Jahn-Teller splitting of the degenerated d states of Mo atom. With which, the solid-solutions suffering from non-uniform LLD are predicted. The non-uniform LLD challenges the application of classical solid solution hardening model based on uniform LLD and spherical stress tensor assumption to this kind of solid solutions. This work also questions the traditional view that elementary substitutional solute atoms in metal solid solutions should not induce anelastic relaxation and internal friction. (C) 2020 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
KeywordLocal lattice distortion Lattice dynamics Solid solution hardening Internal friction First principles calculations
Funding OrganizationNatural Science Foundation of China ; National Key Research and Development Program of China
DOI10.1016/j.actamat.2020.07.033
Indexed BySCI
Language英语
Funding ProjectNatural Science Foundation of China[91860107] ; National Key Research and Development Program of China[2016YFB0701301]
WOS Research AreaMaterials Science ; Metallurgy & Metallurgical Engineering
WOS SubjectMaterials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering
WOS IDWOS:000564768300009
PublisherPERGAMON-ELSEVIER SCIENCE LTD
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Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/140428
Collection中国科学院金属研究所
Corresponding AuthorHu, Qing-Miao
AffiliationChinese Acad Sci, Inst Met Res, Wenhua Rd 72, Shenyang 110016, Peoples R China
Recommended Citation
GB/T 7714
Hu, Qing-Miao,Yang, Rui. Unconventional non-uniform local lattice distortion in dilute Ti-Mo solid solution[J]. ACTA MATERIALIA,2020,197:91-96.
APA Hu, Qing-Miao,&Yang, Rui.(2020).Unconventional non-uniform local lattice distortion in dilute Ti-Mo solid solution.ACTA MATERIALIA,197,91-96.
MLA Hu, Qing-Miao,et al."Unconventional non-uniform local lattice distortion in dilute Ti-Mo solid solution".ACTA MATERIALIA 197(2020):91-96.
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