The Co–Fe–Zr system and its Co–Zr subsystem were optimized using the CALculation of PHAse Diagram (CALPHAD) approach. The substitutional solution model was used for describing the phases liquid, fcc_A1, bcc_A2 and hcp_A3. Two Laves phases were modeled as (Co,Fe,Zr) 2 (Co,Fe,Zr) 1 , and the phases CoFe and CoZr with the bcc_B2 crystal structure were described as the ordered one of bcc_A2 in the formula (Co,Fe,Va,Zr) 0.5 (Co,Fe,Va,Zr) 0.5 Va 3 . With limited solubility ranges, all other phases were treated as the line compounds (Co,Fe) m Zr n . An excellent agreement between the reported and calculated results was reached. The reliable thermodynamic parameters of the Co–Fe–Zr system were acquired, which can be well applied to various thermodynamic calculations and materials design.

中文翻译：

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Co-Zr 和 Co-Fe-Zr 系统的热力学描述

Co-Fe-Zr 系统及其 Co-Zr 子系统使用 PHA 酶图计算 (CALPHAD) 方法进行了优化。置换溶液模型用于描述液相、fcc_A1、bcc_A2 和 hcp_A3 相。两个 Laves 相被建模为 (Co,Fe,Zr) 2 (Co,Fe,Zr) 1 ，并且具有 bcc_B2 晶体结构的 CoFe 和 CoZr 相被描述为式 (Co,Fe, Va,Zr) 0.5 (Co,Fe,Va,Zr) 0.5 Va 3 。由于溶解度范围有限，所有其他相都被视为线化合物 (Co,Fe) m Zr n 。报告的结果和计算的结果之间达到了极好的一致性。获得了 Co-Fe-Zr 体系的可靠热力学参数，可以很好地应用于各种热力学计算和材料设计。