Shear deformation in Ti3Al: atomic, dynamic and static simulations

doi:10.1088/0965-0393/16/8/085008

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	Shear deformation in Ti3Al: atomic, dynamic and static simulations
	Liu, Y. L.1; Zhang, L.1; Wang, S. Q.2; Ye, H. Q.2,3
刊名	MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING
	2008-12-01
卷号	16 期号:8 页码:13
ISSN号	0965-0393
DOI	10.1088/0965-0393/16/8/085008
通讯作者	Liu, Y. L.(ylliu@imp.neu.edu.cn)
英文摘要	The dynamical shear deformation-induced HCP -> FCC process in Ti3Al was systematically investigated using both molecular dynamics ( MD) and ab initio methods. The details of the dislocation initiation, the microstructure evolution and the velocity field effect were presented and discussed. The MD simulation reveals that, with the increment of the velocity field, the deformation-induced dislocation slide may happen by three modes based on the nucleation of an initial FCC core, i.e. the continued fault slipping may initiate every other three layers, every other one and then three layers and every other one atomic layer. The corresponding transformed structure is an alternate existence of the single FCC and HCP plate, 18R fault, and the FCC plate containing three ABC units or more. The mechanism was further explored based on ab initio calculations of the detailed energy variation at different fault transition modes. The results promote systematic understanding of the stress induced fault transition mechanism in experimental observations.
资助项目	National Natural Science Foundation of China[50671109] ; National Basic Research Program of China[2006CB605103]
WOS研究方向	Materials Science ; Physics
语种	英语
出版者	IOP PUBLISHING LTD
WOS记录号	WOS:000260759100008
资助机构	National Natural Science Foundation of China ; National Basic Research Program of China
内容类型	期刊论文
源URL	[http://ir.imr.ac.cn/handle/321006/93391]
专题	金属研究所_中国科学院金属研究所
通讯作者	Liu, Y. L.
作者单位	1.Northeastern Univ, Inst Mat Phys & Chem, Shenyang 110004, Peoples R China 2.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China 3.Peking Univ, Electron Microscope Lab, Beijing 100871, Peoples R China
推荐引用方式 GB/T 7714	Liu, Y. L.,Zhang, L.,Wang, S. Q.,et al. Shear deformation in Ti3Al: atomic, dynamic and static simulations[J]. MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING,2008,16(8):13.
APA	Liu, Y. L.,Zhang, L.,Wang, S. Q.,&Ye, H. Q..(2008).Shear deformation in Ti3Al: atomic, dynamic and static simulations.MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING,16(8),13.
MLA	Liu, Y. L.,et al."Shear deformation in Ti3Al: atomic, dynamic and static simulations".MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING 16.8(2008):13.