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Thermodynamic assessment of the Ni–Co–Cr system and Diffusion Study of its fcc phase
Calphad ( IF 2.4 ) Pub Date : 2020-08-21 , DOI: 10.1016/j.calphad.2020.101996
Ning Zhao , Wei Liu , Jing-Jing Wang , Xiao-Gang Lu , Lijun Zhang

In the present work, the liquidus and solidus for a series of NixCo1-2xCrx alloys were measured by means of differential scanning calorimetry, and the first-principles calculations were performed to obtain total energies for all solid solutions and end-members of the intermediate phases in the Ni–Co–Cr ternary system. Various types of data from the present work and the literature were used in the assessments of the Ni–Co–Cr ternary system and sub-binary systems by the CALPHAD method, and were well reproduced by the present thermodynamic database. In addition, diffusion couples of fcc Co–Cr and Ni–Co–Cr alloys were assembled and annealed at different temperatures to extract interdiffusion coefficients. Experimental diffusion data from the present work and the literature, in conjunction with thermodynamic parameters, were adopted to assess the atomic mobilities of the fcc phase in the Ni–Co–Cr system. The calculated and experimental diffusion coefficients reach a satisfactory agreement. The diffusional kinetic database developed was further validated by appropriate predictions of composition profiles and diffusion paths.



中文翻译:

Ni-Co-Cr体系的热力学评估及其fcc相的扩散研究

在本工作中,一系列Ni x Co 1-2x Cr x的液相线和固相线通过差示扫描量热法测量合金,并进行第一性原理计算,以获得Ni-Co-Cr三元系统中所有固溶体和中间相末端成员的总能量。通过CALPHAD方法,从当前工作和文献中获得的各种类型的数据都用于评估Ni-Co-Cr三元体系和亚二元体系,并通过当前的热力学数据库得到了很好的再现。此外,组装了fcc Co-Cr和Ni-Co-Cr合金的扩散对,并在不同温度下退火以提取相互扩散系数。从目前的工作和文献中获得的实验扩散数据,连同热力学参数一起,被用于评估Ni-Co-Cr系统中fcc相的原子迁移率。计算和实验扩散系数达到令人满意的一致性。所建立的扩散动力学数据库通过适当的成分分布和扩散路径预测得到进一步验证。

更新日期:2020-08-22
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