Influence of Nb doping on oxidation resistance of gamma-TiAl: A first principles study

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	Influence of Nb doping on oxidation resistance of gamma-TiAl: A first principles study
	H. Li; S. Q. Wang; H. Q. Ye
	2009
发表期刊	Acta Physica Sinica
ISSN	1000-3290
卷号	58 期号:6 页码:S224-S229
摘要	Nb doping is proved to be the most promising way of enhancing the oxidation resistance of TiAl alloys, yet the intrinsic mechanism is still unclear. To understand the effect of Nb doping, a first principles study of several point defects in gamma-TiAl during oxidation is performed. Besides the determination of the stable defect structures it is revealed that (1) the formation energy of Nb doping increases with Nb content increasing, at the cost of degradation of the phase stability, which is a hindrance to the oxidation resistance; (2) the abilities of interstitial oxygen and titanium vacancy formation are lowered by Nb addition, thus oxygen diffusion and vacancy formation are reduced correspondingly, which enhances the oxidation resistance of the alloy; (3) the effect of Nb doping on the formation energy of point defect is rather localized, therefore the influence of Nb doping is correlated with its distribution and content in gamma-TiAl.
部门归属	[li hong; wang shao-qing; ye heng-qiang] chinese acad sci, inst met res, shenyang natl lab mat sci, shenyang 110016, peoples r china.;li, h (reprint author), chinese acad sci, inst met res, shenyang natl lab mat sci, shenyang 110016, peoples r china;hongli@imr.ac.cn
关键词	Gamma-tial High Temperature Oxidation Nb Doping Formation Energy Intermetallic Alloys Isothermal Oxidation Ion-implantation Behavior Surface Temperature Coatings Elements 1st-principles 900-degrees-c
URL	查看原文
WOS记录号	WOS:000270312900037
引用统计	被引频次：17[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/321006/32018
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	H. Li,S. Q. Wang,H. Q. Ye. Influence of Nb doping on oxidation resistance of gamma-TiAl: A first principles study[J]. Acta Physica Sinica,2009,58(6):S224-S229.
APA	H. Li,S. Q. Wang,&H. Q. Ye.(2009).Influence of Nb doping on oxidation resistance of gamma-TiAl: A first principles study.Acta Physica Sinica,58(6),S224-S229.
MLA	H. Li,et al."Influence of Nb doping on oxidation resistance of gamma-TiAl: A first principles study".Acta Physica Sinica 58.6(2009):S224-S229.