First-principles study of influence of Ti vacancy and Nb dopant on the bonding of TiAl/TiO2 interface

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	First-principles study of influence of Ti vacancy and Nb dopant on the bonding of TiAl/TiO2 interface
	Y. Song; F. J. Xing; J. H. Dai; R. Yang
	2014
发表期刊	Intermetallics
ISSN	0966-9795
卷号	49 页码:1-6
摘要	Influence of defects (Ti vacancy and Nb dopant) on the bonding of TiAl/TiO2 interface was studied via first-principles calculations. It was shown that the bonding strength and the stability of TiAl/TiO2 interface were weakened by the presence of Ti vacancy and dopant Nb. The defects could also change the relative stability of the interface with different couplings between the two compounds. Electronic structure of the interface was analyzed and the influence mechanisms of defects on the bonding of interface were presented. (C) 2014 Elsevier Ltd. All rights reserved.
部门归属	[song, y. ; xing, f. j. ; dai, j. h.] harbin inst technol, sch mat sci & engn, weihai 264209, peoples r china. [yang, r.] chinese acad sci, inst met res, shenyang 110016, peoples r china. ; song, y (reprint author), harbin inst technol, sch mat sci & engn, 2 west wenhua rd, weihai 264209, peoples r china. ; sy@hitwh.edu.cn
关键词	Titanium Aluminides Based On Tial Oxidation Ab-initio Calculations Phase Interfaces Oxidation Behavior Gamma-tial(111) Surface Titanium Aluminides Initial Oxidation Alloys Temperature Resistance Growth Energy Oxygen
URL	查看原文
语种	英语
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/72908
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	Y. Song,F. J. Xing,J. H. Dai,et al. First-principles study of influence of Ti vacancy and Nb dopant on the bonding of TiAl/TiO2 interface[J]. Intermetallics,2014,49:1-6.
APA	Y. Song,F. J. Xing,J. H. Dai,&R. Yang.(2014).First-principles study of influence of Ti vacancy and Nb dopant on the bonding of TiAl/TiO2 interface.Intermetallics,49,1-6.
MLA	Y. Song,et al."First-principles study of influence of Ti vacancy and Nb dopant on the bonding of TiAl/TiO2 interface".Intermetallics 49(2014):1-6.