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On the small angle twist sub-grain boundaries in Ti3AlC2
Zhang, Hui; Zhang, Chao; Hu, Tao; Zhan, Xun; Wang, Xiaohui; Zhou, Yanchun; Wang, XH (reprint author), Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, 72 Wenhua Rd, Shenyang 110016, Peoples R China.
2016-04-01
Source PublicationSCIENTIFIC REPORTS
ISSN2045-2322
Volume6
AbstractTilt-dominated grain boundaries have been investigated in depth in the deformation of MAX phases. In stark contrast, another important type of grain boundaries, twist grain boundaries, have long been overlooked. Here, we report on the observation of small angle twist sub-grain boundaries in a typical MAX phase Ti3AlC2 compressed at 1200 degrees C, which comprise hexagonal screw dislocation networks formed by basal dislocation reactions. By first-principles investigations on atomic-scale deformation and general stacking fault energy landscapes, it is unequivocally demonstrated that the twist sub-grain boundaries are most likely located between Al and Ti4f (Ti located at the 4f Wyckoff sites of P6(3)/mmc) layers, with breaking of the weakly bonded Al-Ti4f. The twist angle increases with the increase of deformation and is estimated to be around 0.5 degrees for a deformation of 26%. This work may shed light on sub-grain boundaries of MAX phases, and provide fundamental information for future atomic-scale simulations.
description.department[zhang, hui ; zhang, chao ; hu, tao ; wang, xiaohui] chinese acad sci, inst met res, shenyang natl lab mat sci, 72 wenhua rd, shenyang 110016, peoples r china ; [zhang, hui ; hu, tao] univ chinese acad sci, beijing 100049, peoples r china ; [zhan, xun] case western reserve univ, dept mat sci & engn, 10900 euclid ave, cleveland, oh 44106 usa ; [zhou, yanchun] aerosp res inst mat & proc technol, sci & technol adv funct composite lab, 1 south dahongmen rd, beijing 100076, peoples r china
Subject AreaScience & Technology - Other Topics
Funding OrganizationChinese Academy of Sciences (CAS); Shenyang National Laboratory for Materials Science, Institute of Metal Research, CAS
Indexed Bysci
Language英语
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/75930
Collection中国科学院金属研究所
Corresponding AuthorWang, XH (reprint author), Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, 72 Wenhua Rd, Shenyang 110016, Peoples R China.
Recommended Citation
GB/T 7714
Zhang, Hui,Zhang, Chao,Hu, Tao,et al. On the small angle twist sub-grain boundaries in Ti3AlC2[J]. SCIENTIFIC REPORTS,2016,6.
APA Zhang, Hui.,Zhang, Chao.,Hu, Tao.,Zhan, Xun.,Wang, Xiaohui.,...&Wang, XH .(2016).On the small angle twist sub-grain boundaries in Ti3AlC2.SCIENTIFIC REPORTS,6.
MLA Zhang, Hui,et al."On the small angle twist sub-grain boundaries in Ti3AlC2".SCIENTIFIC REPORTS 6(2016).
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