Computational Study of Atomic Mobility in Co-Fe-Ni Ternary Fcc Alloys
Computational Study of Atomic Mobility in Co-Fe-Ni Ternary Fcc Alloys
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DOI：
10.1007/s11669-008-9341-9
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发表时间：
2008-05
影响因子：
1.4
通讯作者：
Yuwen Cui;M. Jiang;I. Ohnuma;K. Oikawa;R. Kainuma;K. Ishida
中科院分区：
文献类型：
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作者：
Yuwen Cui;M. Jiang;I. Ohnuma;K. Oikawa;R. Kainuma;K. Ishida
用推广的Boltzmann-Matano方法从单相扩散偶的浓度分布计算了Co-Fe-Ni三元系fcc相在1100 °C时的互扩散系数。评估的互扩散系数，连同文献中的其他实验数据，已被评估开发的Co-Fe-Ni三元fcc相的原子迁移率数据库。原子迁移率数据库，结合基于CALPHAD热力学，已被用来模拟一些三元扩散偶实验。计算结果与实验数据的比较表明，该方法不仅能计算出三元扩散偶的互扩散系数和浓度分布等一般扩散数据，而且能计算出扩散路径、互扩散通量和Kirkendall面位移等深层扩散行为。
The generalized Boltzmann-Matano method has been used to evaluate the interdiffusion coefficients at 1100 °C for the fcc phase of the Co-Fe-Ni ternary system from the concentration profiles developed from single-phase diffusion couple. The evaluated interdiffusion coefficients, together with other experimental data in the literature, have been assessed to develop an atomic mobility database for the fcc phase of the Co-Fe-Ni ternary. The atomic mobility database, in conjunction with the CALPHAD-base thermodynamics, has been used to simulate a number of ternary diffusion couple experiments. Comprehensive comparisons between the calculated and experimental data show that excellent agreement is obtained not only for the general diffusion data of ternary diffusion couple, such as the interdiffusion coefficients and the concentration profiles, but also for much of in-depth diffusion behavior, like the diffusion path, the interdiffusion flux and the shift of the Kirkendall plane.