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题名: Ab-initio study of surface segregation in aluminum alloys
作者: Qin, Yifa;  Wang, Shaoqing
发表日期: 2017-3-31
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.
刊名: APPLIED SURFACE SCIENCE
Appears in Collections:中国科学院金属研究所_期刊论文

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Recommended Citation:
Qin, Yifa,Wang, Shaoqing. Ab-initio Study Of Surface Segregation In Aluminum Alloys[J]. Applied Surface Science,2017,399:351-358.

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