First-principles investigation of effects of alloying elements on Ti/TiO2 interface

doi:10.4149/km_2017_4_291

IMR OpenIR

	First-principles investigation of effects of alloying elements on Ti/TiO2 interface
	Yu, A. Y.; Hu, Q. M.; Yang, R.
通讯作者	Yu, A. Y.(avyu@imr.ac.cn)
	2017
发表期刊	KOVOVE MATERIALY-METALLIC MATERIALS
ISSN	0023-432X
卷号	55 期号:4 页码:291-294
摘要	The properties of the interface between titanium alloys and the rutile TiO2 are crucial for improving oxidation resistance of titanium alloys. In this work, the first-principles method is used to predict the adhesion strength of the doped Ti/TiO2 interface. The stability of the Ti/TiO2 interface is enhanced by element Cr whereas reduced by element V. We also investigated the alloying elements segregation behavior near the Ti/TiO2 interface. It is found that some elements, like V and Cr, tend to stay on the metal side of the interface. Hence, the oxidation resistance of titanium alloys has been increased by these alloying elements. This work not only helps us have a better understanding of the alloying atoms distribution in the Ti/TiO2 interface but also find some clues of increasing the stability and oxidation resistance of titanium alloys.
关键词	first-principles method Ti/TiO2 interface alloying effects oxidation resistance
资助者	MoST of China
DOI	10.4149/km_2017_4_291
收录类别	SCI
语种	英语
资助项目	MoST of China[2014CB644001]
WOS研究方向	Materials Science ; Metallurgy & Metallurgical Engineering
WOS类目	Materials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering
WOS记录号	WOS:000408399100008
出版者	REDAKCIA KOVOVE MATERIALY
引用统计	被引频次：1[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/321006/124988
专题	中国科学院金属研究所
通讯作者	Yu, A. Y.
作者单位	Chinese Acad Sci, Inst Met Res, Shenyang 110016, Liaoning, Peoples R China
推荐引用方式 GB/T 7714	Yu, A. Y.,Hu, Q. M.,Yang, R.. First-principles investigation of effects of alloying elements on Ti/TiO2 interface[J]. KOVOVE MATERIALY-METALLIC MATERIALS,2017,55(4):291-294.
APA	Yu, A. Y.,Hu, Q. M.,&Yang, R..(2017).First-principles investigation of effects of alloying elements on Ti/TiO2 interface.KOVOVE MATERIALY-METALLIC MATERIALS,55(4),291-294.
MLA	Yu, A. Y.,et al."First-principles investigation of effects of alloying elements on Ti/TiO2 interface".KOVOVE MATERIALY-METALLIC MATERIALS 55.4(2017):291-294.