Ab-initio study of surface segregation in aluminum alloys
文献类型：期刊论文
| 作者 | Qin, Yifa ; Wang, Shaoqing |
| 刊名 | APPLIED SURFACE SCIENCE
 |
| 出版日期 | 2017-03-31 |
| 卷号 | 399页码:351-358 |
| 关键词 | Aluminum Surface segregation Ab-initio calculation |
| ISSN号 | 0169-4332 |
| 通讯作者 | Qin, YF (reprint author), Chinese Acad Sci, Shenyang Natl Lab Mat Sci, Inst Met Res, Shenyang 110016, Peoples R China. |
| 中文摘要 | We have calculated surface segregation energies of 41 impurities by means of density functional theory calculations. An interesting periodical variation tendency was found for surface segregation energies derived. For the majority of main group elements, segregation energies are negative which means solute elements enrichment at Al surface is energetically more favorable than uniformly dissolution. Half of transition elements possess positive segregation energies and the energies are sensitive to surface crystallographic orientations. A strong correlation is found between the segregation energies at the Al surface and the surface energ of solute elements. (C) 2016 Elsevier B.V. All rights reserved. |
| 学科主题 | Chemistry, Physical ; Materials Science, Coatings & Films ; Physics, Applied ; Physics, Condensed Matter |
| 收录类别 | SCI |
| 资助信息 | National Major Research Program of China [2016YFB0701302]; National Natural Science Foundation of China [51471164]; Informalization Construction Project of Chinese Academy of Sciences [INFO-115-801]; Special Program for Applied Research on Super Computation of the NSFC-Guangdong Joint Fund |
| 语种 | 英语 |
| 公开日期 | 2017-08-17 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/78219]  |
| 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 | Qin, Yifa,Wang, Shaoqing. Ab-initio study of surface segregation in aluminum alloys[J]. APPLIED SURFACE SCIENCE,2017,399:351-358. |
| APA | Qin, Yifa,&Wang, Shaoqing.(2017).Ab-initio study of surface segregation in aluminum alloys.APPLIED SURFACE SCIENCE,399,351-358. |
| MLA | Qin, Yifa,et al."Ab-initio study of surface segregation in aluminum alloys".APPLIED SURFACE SCIENCE 399(2017):351-358. |
入库方式： OAI收割
来源：金属研究所
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