IMR OpenIR
Influence of alloying elements on stability and adhesion ability of TiAl/TiO2 interface by first-principles calculations
Dai, J. H.; Song, Y.; Yang, R.; Song, Y (reprint author), Harbin Inst Technol Weihai, Sch Mat Sci & Engn, 2 West Wenhua Rd, Weihai 264209, Peoples R China.
2017-06-01
发表期刊INTERMETALLICS
ISSN0966-9795
卷号85页码:80-89
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.; 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.
部门归属[dai, j. h. ; song, y.] harbin inst technol weihai, sch mat sci & engn, 2 west wenhua rd, weihai 264209, peoples r china ; [yang, r.] chinese acad sci, inst met res, 76 wenhua rd, shenyang 110016, peoples r china
关键词Oxidation Titanium Aluminides Ab-initio Calculations Based On Tial Phase Interfaces
学科领域Chemistry, Physical ; Materials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering
资助者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
文献类型期刊论文
条目标识符http://ir.imr.ac.cn/handle/321006/78124
专题中国科学院金属研究所
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.
推荐引用方式
GB/T 7714
Dai, J. H.,Song, Y.,Yang, R.,et al. 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.,&Song, Y .(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.
条目包含的文件
条目无相关文件。
个性服务
推荐该条目
保存到收藏夹
查看访问统计
导出为Endnote文件
谷歌学术
谷歌学术中相似的文章
[Dai, J. H.]的文章
[Song, Y.]的文章
[Yang, R.]的文章
百度学术
百度学术中相似的文章
[Dai, J. H.]的文章
[Song, Y.]的文章
[Yang, R.]的文章
必应学术
必应学术中相似的文章
[Dai, J. H.]的文章
[Song, Y.]的文章
[Yang, R.]的文章
相关权益政策
暂无数据
收藏/分享
所有评论 (0)
暂无评论
 

除非特别说明,本系统中所有内容都受版权保护,并保留所有权利。