Effect of a Si additive on an Al grain boundary: A first-principles investigation

被引：5

作者：

Zhang, Ying ^{[1
]}

Lu, Guang-Hong ^{[1
]}

Zhang, Han ^{[2
]}

Wang, Tianmin ^{[1
]}

Deng, Shenghua ^{[1
]}

Hu, Xuelan ^{[1
]}

机构：

[1] Beijing Univ Aeronaut & Astronaut, Sch Sci, Beijing 100083, Peoples R China

[2] Peking Univ, Dept Phys, Beijing 100871, Peoples R China

来源：

2006 BIMW: 2006 BEIJING INTERNATIONAL MATERIALS WEEK, PTS 1-4: MAGNESIUM | 2007年 / 546-549卷

基金：

中国国家自然科学基金;

关键词：

Al grain boundary; Si; electronic structure; first-principles;

D O I：

10.4028/www.scientific.net/MSF.546-549.829

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The electronic structure of an Al grain boundary (GB) with Si as an additive has been investigated by a first-principles method. Si has been found to increase the charge density around itself and along the GB, and such increase can be enhanced with increasing Si concentration. Same effect occurs when Si is added in an Al GB with segregated Na impurity. The results suggest a possible strengthening effect of Si on the Al GB, and Si thus can be a good candidate additive for suppressing the Al intergranular embrittlement caused by impurity segregation.

引用

页码：829 / +

页数：2

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