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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
Source PublicationIntermetallics
ISSN0966-9795
Volume49Pages:1-6
AbstractInfluence 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.
description.department[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
KeywordTitanium 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
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Language英语
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/72908
Collection中国科学院金属研究所
Recommended Citation
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.
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