Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1559289 | Calphad | 2010 | 8 Pages |
Abstract
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.
Related Topics
Physical Sciences and Engineering
Materials Science
Materials Science (General)
Authors
Weibin Zhang, Yong Du, Dongdong Zhao, Lijun Zhang, Honghui Xu, Shuhong Liu, Yiwei Li, Shuquan Liang,