On the small angle twist sub-grain boundaries in Ti3AlC2

IMR OpenIR

	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
发表期刊	SCIENTIFIC REPORTS
ISSN	2045-2322
卷号	6
摘要	Tilt-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.
部门归属	[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
学科领域	Science & Technology - Other Topics
资助者	Chinese Academy of Sciences (CAS); Shenyang National Laboratory for Materials Science, Institute of Metal Research, CAS
收录类别	sci
语种	英语
WOS记录号	WOS:000373205700001
引用统计	被引频次：7[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/75930
专题	中国科学院金属研究所
通讯作者	Wang, XH (reprint author), Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, 72 Wenhua Rd, Shenyang 110016, Peoples R China.
推荐引用方式 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).