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Atomic mobilities and diffusivities in fcc_A1 Ni–Cr–V system: Modeling and application
Calphad ( IF 2.4 ) Pub Date : 2020-07-14 , DOI: 10.1016/j.calphad.2020.101808
Shiyi Wen , Yong Du , Yuling Liu , Changfa Du , Zhoushun Zheng , Peng Zhou , Shuyan Zhang , Mingqiang Chu

Ni–Cr–V system is a significant sub-system of both cemented carbides and superalloys. In the present work, the atomic mobilities for fcc_A1 Ni–Cr–V alloy were evaluated by means of the CALTPP (CALculation of ThermoPhysical Properties) program, which utilizes the thermodynamic description and the interdiffusivity obtained in our previous work by a numerical inverse method. The reasonability was validated through comparing the CALTPP-predicted composition profiles, interdiffusivities and diffusion paths with the experimentally measured ones. Furthermore, in order to study the diffusion behaviors, the present atomic mobilities were applied to calculate the diffusion fluxes, the interdiffusivities over the whole investigated composition and temperature ranges, the pre-frequency factors as well as the activation energy. It can be seen from the 3-dimensional interdiffusivity planes that when the composition of Cr is more than that of V, the diffusion of Cr is generally faster than V. The pre-frequency factor indicates that the frequency of collisions between Cr atoms is higher than that of V while the activation energy shows that the diffusion of Cr requires more energy than V. The presently obtained diffusion characteristics of fcc_A1 Ni–Cr–V alloys are critical for predicting and controlling the microstructure evolution and further designing high-performance cemented carbides as well as superalloys.



中文翻译:

fcc_A1 Ni–Cr–V系统中的原子迁移率和扩散性:建模和应用

Ni–Cr–V系统是硬质合金和超合金的重要子系统。在本工作中,通过CALTPP(热物理性质计算)程序评估了fcc_A1 Ni-Cr-V合金的原子迁移率,该程序利用了热力学描述和我们先前通过数值逆方法获得的互扩散性。通过比较CALTPP预测的成分分布,相互扩散性和扩散路径与实验测得的成分分布,验证了合理性。此外,为了研究扩散行为,目前的原子迁移率被用于计算扩散通量,在整个研究的成分和温度范围内的互扩散性,预频因子以及活化能。

更新日期:2020-07-14
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