A first-principles study of the site preference of Cr in B2NiAl

被引：25
|
作者：
Jiang, C
Sordelet, DJ
Gleeson, B
机构：
[1] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA
[2] US DOE, Ames Lab, Mat & Engn Phys Program, Ames, IA 50011 USA
来源：
SCRIPTA MATERIALIA | 2006年 / 54卷 / 03期
关键词：
site preference; nickel aluminides; point defects;
D O I：
10.1016/j.scriptamat.2005.10.023
中图分类号：
TB3 [工程材料学];
学科分类号：
0805 ; 080502 ;
摘要：
First-principles calculations were performed to study the site preference of Cr in B2 NiAl. The Wagner-Schottky model was adopted to predict the finite temperature site occupancy behavior of Cr in B2 NiAl. Our calculations show that the site preference of Cr in B2 NiAl varies strongly with both alloy composition and temperature. (c) 2005 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
引用
收藏
页码：405 / 410
页数：6
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