Effect of alloying elements and impurities on interface properties in aluminum alloys

被引：0
作者：
V. I. Razumovskiy
Yu. Kh. Vekilov
I. M. Razumovskii
A. V. Ruban
V. N. Butrim
V. N. Mironenko
机构：
[1] National University of Science and Technology “MISiS,
[2] ”,undefined
[3] Royal Institute of Technology,undefined
[4] Research,undefined
[5] Development and Production Corporation “Kompozit,undefined
[6] ”,undefined
来源：
Physics of the Solid State | 2011年 / 53卷
关键词：
Aluminum Alloy; Grain Boundary; Spin Polarization; Impurity Atom; Cohesion Energy;
D O I：
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中图分类号：
学科分类号：
摘要：
The segregation energies of B, Si, P, Cr, Ni, Zr, and Mg on the special grain boundary (GB) Σ5 (210)[100] and on the open (210) surface of aluminum have been determined and the GB splitting energy has been calculated by the density functional theory methods. It has been shown that all elements listed above enrich the GB; for B, Si, P, Cr, Ni and Zr, Mg, interstitial and substitutional sites are preferred, respectively. The effect of alloying elements on the GB binding has been estimated using the parameter η equal to the change in the fracture work of the aluminum GB when adding alloying element atoms. From the viewpoint of strengthening the GB binding forces, Zr, Cr, Ni, and Mg are efficient, Si and B are neutral and phosphorus weakens GBs.
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页码：2189 / 2193
页数：4
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