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First-principles investigation of effects of alloying elements on Ti/TiO2 interface
Yu, A. Y.; Hu, Q. M.; Yang, R.
Corresponding AuthorYu, A. Y.(avyu@imr.ac.cn)
2017
Source PublicationKOVOVE MATERIALY-METALLIC MATERIALS
ISSN0023-432X
Volume55Issue:4Pages:291-294
AbstractThe 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.
Keywordfirst-principles method Ti/TiO2 interface alloying effects oxidation resistance
Funding OrganizationMoST of China
DOI10.4149/km_2017_4_291
Indexed BySCI
Language英语
Funding ProjectMoST of China[2014CB644001]
WOS Research AreaMaterials Science ; Metallurgy & Metallurgical Engineering
WOS SubjectMaterials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering
WOS IDWOS:000408399100008
PublisherREDAKCIA KOVOVE MATERIALY
Citation statistics
Cited Times:1[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/124988
Collection中国科学院金属研究所
Corresponding AuthorYu, A. Y.
AffiliationChinese Acad Sci, Inst Met Res, Shenyang 110016, Liaoning, Peoples R China
Recommended Citation
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.
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