First-principles investigation of effects of alloying elements on Ti/TiO2 interface
文献类型：期刊论文
| 作者 | Yu, A. Y.; Hu, Q. M.; Yang, R. |
| 刊名 | KOVOVE MATERIALY-METALLIC MATERIALS
 |
| 出版日期 | 2017 |
| 卷号 | 55期号:4页码:291-294 |
| 关键词 | first-principles method Ti/TiO2 interface alloying effects oxidation resistance |
| ISSN号 | 0023-432X |
| DOI | 10.4149/km_2017_4_291 |
| 通讯作者 | Yu, A. Y.(avyu@imr.ac.cn) |
| 英文摘要 | 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. |
| 资助项目 | MoST of China[2014CB644001] |
| WOS研究方向 | Materials Science ; Metallurgy & Metallurgical Engineering |
| 语种 | 英语 |
| WOS记录号 | WOS:000408399100008 |
| 出版者 | REDAKCIA KOVOVE MATERIALY |
| 资助机构 | MoST of China |
| 源URL | [http://ir.imr.ac.cn/handle/321006/124987]  |
| 专题 | 金属研究所_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. |
入库方式： OAI收割
来源：金属研究所
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