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Thermodynamic modelling of the Al–Co–Fe system
Calphad ( IF 1.9 ) Pub Date : 2021-06-14 , DOI: 10.1016/j.calphad.2021.102288
Mehdi Noori , Bengt Hallstedt

In the present work, the Al–Co–Fe ternary system is thermodynamically modelled using the Calphad method. Experimental data such as liquidus, tie lines, phase boundaries, magnetic transition and order–disorder data points are included and critically examined. The data that has a better quality has been chosen to optimize the system. An order–disorder model has been used to describe the bcc and B2 phases. Experimental bcc/B2 transition data points were carefully examined and inconsistent data points were weighted less. A four-stage optimization was employed to fit the magnetic and bcc/B2 transitions and phase boundaries. The thermodynamic models of Al5Fe2, Al5Co2, Al2Fe, and Al9Co2 are adjusted to include the third element to reflect the solubility of this element in the ternary system. Ternary interaction parameters for bcc and fcc were optimized, using all the relevant experimental data in the literature. The calculation of isothermal and vertical sections are performed using the optimized model parameters and compared with the experimental data. A comparison between modelling and experimental measurements showed a good agreement between the present results and experiments.



中文翻译:

Al-Co-Fe 系统的热力学模型

在目前的工作中,使用 Calphad 方法对 Al-Co-Fe 三元系统进行热力学建模。包括液相线、连接线、相界、磁转变和有序-无序数据点等实验数据并进行严格检查。选择质量更好的数据来优化系统。有序-无序模型已用于描述 bcc 和 B2 相。仔细检查了实验性 bcc/B2 转换数据点,不一致的数据点的权重较小。采用四阶段优化来拟合磁性和 bcc/B2 转变和相边界。Al 5 Fe 2、Al 5 Co 2、Al 2 Fe 和Al 9 Co的热力学模型2调整为包含第三种元素,以反映该元素在三元体系中的溶解度。使用文献中的所有相关实验数据优化了 bcc 和 fcc 的三元相互作用参数。使用优化后的模型参数进行等温截面和垂直截面的计算,并与实验数据进行比较。建模和实验测量之间的比较表明,目前的结果和实验之间有很好的一致性。

更新日期:2021-06-14
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