Influence of alloying elements on stability and adhesion ability of TiAl/TiO2 interface by first-principles calculations
文献类型：期刊论文
| 作者 | Dai, J. H. ; Song, Y. ; Yang, R. |
| 刊名 | INTERMETALLICS
 |
| 出版日期 | 2017-06-01 |
| 卷号 | 85页码:80-89 |
| ISSN号 | 0966-9795 |
| 关键词 | Titanium aluminides, based on TiAl Oxidation Ab-initio calculations Phase interfaces |
| 通讯作者 | Song, Y (reprint author), Harbin Inst Technol Weihai, Sch Mat Sci & Engn, 2 West Wenhua Rd, Weihai 264209, Peoples R China. |
| 中文摘要 | First-principles calculations were performed to study the adhesion of the M alloyed TiAl and TiO2 interface (M = Si, Cr, Co, Ni, Y, Zr, Nb, Mo, Pd, and W). The occupation of alloying elements in the TiAl/TiO2 interface was examined and the influence of alloying elements on the adhesion of the interface was then clarified. The alloying elements stabilize both the TiAl surface and TiAl/TiO2 interface but with different degrees. The Y, Nb and Pd greatly improve the adhesion of TiO2 on TiAl matrix, while others illustrate relatively weak effect. The geometric configuration and electronic structures of elements in the interface zone were studied to investigate the bonding interactions between the alloyed TiAl and TiO2 layers. The oxygen atoms are found to be the adhesion media connecting the alloyed TiAl and TiO2 slabs in the TiAl/TiO2 interface and may affect the spallation of oxide scale from TiAl matrix. (C) 2017 Elsevier Ltd. All rights reserved. |
| 学科主题 | Chemistry, Physical ; Materials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering |
| 资助信息 | National Key Research and Development Program of China [2016YFB0701301]; Natural Science Foundation of Shandong, China [ZR2014EMM013, ZR2014EMQ009]; Fundamental Research Funds for the Central Universities [HIT.KITP. 2014030] |
| 收录类别 | SCI |
| 语种 | 英语 |
| 公开日期 | 2017-08-17 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/78124]  |
| 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 | Dai, J. H.,Song, Y.,Yang, R.. Influence of alloying elements on stability and adhesion ability of TiAl/TiO2 interface by first-principles calculations[J]. INTERMETALLICS,2017,85:80-89. |
| APA | Dai, J. H.,Song, Y.,&Yang, R..(2017).Influence of alloying elements on stability and adhesion ability of TiAl/TiO2 interface by first-principles calculations.INTERMETALLICS,85,80-89. |
| MLA | Dai, J. H.,et al."Influence of alloying elements on stability and adhesion ability of TiAl/TiO2 interface by first-principles calculations".INTERMETALLICS 85(2017):80-89. |
入库方式： OAI收割
来源：金属研究所
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