IMR OpenIR
Energy paths of twin-related lattice reorientation in hexagonal metals via ab initio calculations
Zhou, G; Ye, LH; Wang, H; Xu, DS; Meng, CG; Yang, R; Wang, H (reprint author), Chinese Acad Sci, Inst Met Res, Shenyang 110016, Liaoning, Peoples R China.
2018-04-01
Source PublicationJOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
ISSN1005-0302
Volume34Issue:4Pages:700-707
AbstractEmploying ab initio calculations, we systematically investigated the energy paths of [10 (1) over bar2] twin-related lattice reorientation in hexagonal metals Be, Mg, Sc, Ti, Co, Y, Zr, Tc, Ru, Gd, Tb, Dy, Ho, Er, Tm, Lu, Hf, Re, and Os. Among the studied systems, lattice reorientation energy increases in the order of Mg, Gd, Tb, Dy, Zr, Tc, Ti, Ho, Y, Co, Er, Sc, Be, Tm, Lu, Hf, Re, Ru and Os. The reorientation process consists of shear and shuffle components. Concerning the significance of shuffle, these hexagonal metals fall into two groups. In the first group, which includes Mg, Co, Ru, Re and Os, regardless of the shear amount, subsequent shuffle is an energy-uphill process, while in the second group, which includes Ti, Tc, Be, Y, Gd, Tb, Dy, Ho, Zr, Er, Sc, Hf, Lu and Tm, shuffle becomes an energy-downhill process if shear component reaches an adequate level (at least 60%). These results qualitatively explain the present observation of lattice reorientation in hexagonal metals, and shed light upon a general understanding on the [10 (1) over bar2] twinning behavior in the aim of improving materials properties. (C) 2017 Published by Elsevier Ltd on behalf of The editorial office of Journal of Materials Science & Technology.; Employing ab initio calculations, we systematically investigated the energy paths of [10 (1) over bar2] twin-related lattice reorientation in hexagonal metals Be, Mg, Sc, Ti, Co, Y, Zr, Tc, Ru, Gd, Tb, Dy, Ho, Er, Tm, Lu, Hf, Re, and Os. Among the studied systems, lattice reorientation energy increases in the order of Mg, Gd, Tb, Dy, Zr, Tc, Ti, Ho, Y, Co, Er, Sc, Be, Tm, Lu, Hf, Re, Ru and Os. The reorientation process consists of shear and shuffle components. Concerning the significance of shuffle, these hexagonal metals fall into two groups. In the first group, which includes Mg, Co, Ru, Re and Os, regardless of the shear amount, subsequent shuffle is an energy-uphill process, while in the second group, which includes Ti, Tc, Be, Y, Gd, Tb, Dy, Ho, Zr, Er, Sc, Hf, Lu and Tm, shuffle becomes an energy-downhill process if shear component reaches an adequate level (at least 60%). These results qualitatively explain the present observation of lattice reorientation in hexagonal metals, and shed light upon a general understanding on the [10 (1) over bar2] twinning behavior in the aim of improving materials properties. (C) 2017 Published by Elsevier Ltd on behalf of The editorial office of Journal of Materials Science & Technology.
description.department[zhou, gang ; ye, lihua ; wang, hao ; xu, dongsheng ; yang, rui] chinese acad sci, inst met res, shenyang 110016, liaoning, peoples r china ; [zhou, gang ; meng, changgong] dalian univ technol, dalian 116024, peoples r china
KeywordAugmented-wave Method Am30 Magnesium Alloy Deformation Mg Microstructure Compression Evolution Behavior Az31b Slip
Subject AreaMaterials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering
Funding OrganizationNational Key Research and Development Program of China [2016YFB0701304]; National Natural Science Foundation of China [51671195]; Youth Innovation Promotion Association of Chinese Academy of Sciences [2015151]
Indexed BySCI
Language英语
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/79401
Collection中国科学院金属研究所
Corresponding AuthorWang, H (reprint author), Chinese Acad Sci, Inst Met Res, Shenyang 110016, Liaoning, Peoples R China.
Recommended Citation
GB/T 7714
Zhou, G,Ye, LH,Wang, H,et al. Energy paths of twin-related lattice reorientation in hexagonal metals via ab initio calculations[J]. JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY,2018,34(4):700-707.
APA Zhou, G.,Ye, LH.,Wang, H.,Xu, DS.,Meng, CG.,...&Wang, H .(2018).Energy paths of twin-related lattice reorientation in hexagonal metals via ab initio calculations.JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY,34(4),700-707.
MLA Zhou, G,et al."Energy paths of twin-related lattice reorientation in hexagonal metals via ab initio calculations".JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY 34.4(2018):700-707.
Files in This Item:
There are no files associated with this item.
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Zhou, G]'s Articles
[Ye, LH]'s Articles
[Wang, H]'s Articles
Baidu academic
Similar articles in Baidu academic
[Zhou, G]'s Articles
[Ye, LH]'s Articles
[Wang, H]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Zhou, G]'s Articles
[Ye, LH]'s Articles
[Wang, H]'s Articles
Terms of Use
No data!
Social Bookmark/Share
All comments (0)
No comment.
 

Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.