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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
刊名Acta Physica Sinica
2009
卷号58期号:6页码:S224-S229
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
ISSN号1000-3290
中文摘要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.
原文出处://WOS:000270312900037
公开日期2012-04-13
内容类型期刊论文
源URL[http://210.72.142.130/handle/321006/32018]  
专题金属研究所_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.
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