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CALPHAD-type modeling of the C–Hf–Mo system over the whole composition and temperature ranges
Thermochimica Acta ( IF 3.5 ) Pub Date : 2020-10-01 , DOI: 10.1016/j.tca.2020.178716
Lei Huang , Yafei Pan , Jiuxing Zhang , Yong Du , Fenghua Luo , Shuyan Zhang

Abstract By critically evaluating the phase equilibrium data from the existing literature, the CALPHAD-type thermodynamic modeling has been conducted on C–Hf–Mo system. According to their crystal structures, the substitutional solution is adopted to model the ternary liquid and the sublattice models are to describe the fcc-(Hf,Mo)C, hcp-Mo2C, hcp-(αHf), bcc-(βHf,βMo) and η-MoC phases. There is no ternary compound reported in this system. The thermodynamic parameters of C–Hf–Mo system are demonstrated to be self-consistent and reasonable over the whole composition and temperature ranges, by adequately comparing the calculated and reported thermodynamic information and phase diagram. Based on the present thermodynamic parameters, the liquidus projection and reaction scheme of C–Hf–Mo system can also be obtained.

中文翻译:

C-Hf-Mo 系统在整个成分和温度范围内的 CALPHAD 型建模

摘要 通过批判性地评估现有文献中的相平衡数据,对 C-Hf-Mo 系统进行了 CALPHAD 型热力学建模。根据其晶体结构,采用置换解来模拟三元液体,亚晶格模型用于描述 fcc-(Hf,Mo)C, hcp-Mo2C, hcp-(αHf), bcc-(βHf,βMo)和 η-MoC 相。该系统中没有报道三元化合物。通过充分比较计算和报告的热力学信息和相图,证明 C-Hf-Mo 系统的热力学参数在整个组成和温度范围内是自洽和合理的。基于现有的热力学参数,还可以得到 C-Hf-Mo 体系的液相线投影和反应方案。
更新日期:2020-10-01
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