Effect of alloying elements on in-plane ordering and disordering of solute clusters in Mg-based long-period stacking ordered structures: A first-principles analysis

被引：49

作者：

Kimizuka, Hajime ^{[1
]}

Fronzi, Marco ^{[1
]}

Ogata, Shigenobu ^{[1
,2
]}

机构：

[1] Osaka Univ, Dept Mech Sci & Bioengn, Osaka 5608531, Japan

[2] Kyoto Univ, Ctr Elements Strategy Initiat Struct Mat, Kyoto 6068501, Japan

来源：

SCRIPTA MATERIALIA | 2013年 / 69卷 / 08期

关键词：

Magnesium alloys; LPSO; Intercluster interaction; L1(2)-type cluster; Density functional theory; BRILLOUIN-ZONE INTEGRATIONS; AUGMENTED-WAVE METHOD; CRYSTAL-STRUCTURE; ZN-RE; PHASE; SYSTEM; GD; ATOMS;

D O I：

10.1016/j.scriptamat.2013.07.003

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

Using density functional theory, we characterized the in-plane binding between L1(2)-type solute clusters in Mg-M-RE (M = Al, Zn; RE = Y, Gd) long-period stacking ordered (LPSO) structures. The difference between the Al and Zn concentrations within the clusters determines whether the intercluster interaction is attractive or repulsive. Incomplete in-plane ordering observed experimentally in Mg-Zn-Y LPSO structures was suggested to be caused by the unlinked nature of the clusters owing to their significant inward contraction. (C) 2013 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

引用

页码：594 / 597

页数：4

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