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A First-Principles Study on Basal/Prismatic Reorientation-Induced Twinning Path and Alloying Effect in Hexagonal Metals
Zhou Gang1,2; Ye Lihua1; Wang Hao1; Xu Dongsheng1; Meng Changgong2; Yang Rui1
Corresponding AuthorWang Hao(haowang@imr.ac.cn)
2018-04-01
Source PublicationACTA METALLURGICA SINICA
ISSN0412-1961
Volume54Issue:4Pages:603-612
AbstractIn 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.
Keywordhexagonal metal twinning first principles calculation alloying
Funding OrganizationNational Key Research and Development Program of China ; National Natural Science Foundation of China
DOI10.11900/0412.1961.2017.00252
Indexed BySCI
Language英语
Funding ProjectNational Key Research and Development Program of China[2016YFB0701304] ; National Natural Science Foundation of China[51671195]
WOS Research AreaMetallurgy & Metallurgical Engineering
WOS SubjectMetallurgy & Metallurgical Engineering
WOS IDWOS:000433006500014
PublisherSCIENCE PRESS
Citation statistics
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/128506
Collection中国科学院金属研究所
Corresponding AuthorWang Hao
Affiliation1.Chinese Acad Sci, Inst Met Res, Shenyang 110016, Liaoning, Peoples R China
2.Dalian Univ Technol, Sch Mat Sci & Engn, Dalian 116024, Peoples R China
Recommended Citation
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.
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