Assessment of the atomic mobility in fcc Al-Cu--Mg alloys

被引：20

作者：

Zhang, Weibin ^{[1
]}

Du, Yong ^{[1
]}

Zhao, Dongdong ^{[1
]}

Zhang, Lijun ^{[1
]}

Xu, Honghui ^{[1
]}

Liu, Shuhong ^{[1
]}

Li, Yiwei ^{[1
]}

Liang, Shuquan ^{[2
]}

机构：

[1] Cent S Univ, State Key Lab Powder Met, Changsha 410083, Hunan, Peoples R China

[2] Cent S Univ, Sch Mat Sci & Engn, Changsha 410083, Hunan, Peoples R China

来源：

CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY | 2010年 / 34卷 / 03期

基金：

中国国家自然科学基金;

关键词：

Atomic mobility; Fcc Al-Cu-Mg alloys; DICTRA; First-principles calculations; Diffusion couple; AUGMENTED-WAVE METHOD; SOLUTE DIFFUSION; HIGH-PRESSURE; ALUMINUM; MAGNESIUM; INTERDIFFUSION; METALS; ENERGY; COPPER; SYSTEM;

D O I：

10.1016/j.calphad.2010.05.003

中图分类号：

O414.1 [热力学];

学科分类号：

摘要：

Various experimentally measured diffusivities of fcc Al-Mg. Cu-Mg and Al-Cu-Mg alloys available in the literature are critically reviewed in the present work. The first-principles calculations coupled with a semi-empirical correlation is employed to derive the temperature dependence of impurity diffusivity for Mg in fcc Cu. Atomic mobilities for the above fcc alloys are then evaluated as a function of temperature and composition by means of DICTRA (Diffusion Controlled TRAnsformation) software. Comprehensive comparisons between calculated and measured diffusivities show that most of the experimental data can be well reproduced by the presently obtained atomic mobilities. The concentration profiles and diffusion paths are predicted with the mobility parameters in a series of binary and ternary diffusion couples. A good agreement is obtained between experiment and simulation. (C) 2010 Elsevier Ltd. All rights reserved.

引用

页码：286 / 293

页数：8

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