Development of thermodynamic database of the Mn-RE (RE = rare earth metals) binary systems

Hongjian Ye, Jiang Wang, Qing Chen, Guanghui Rao, Huaiying Zhou
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Abstract

In this work, eight Mn-RE (RE = Ce, Pr, Sm, Tb, Er, Tm, Lu, and Y) binary systems were reassessed thermodynamically by the CALPHAD method based on the reported optimizations and experimental information. Self-consistent thermodynamic parameters to describe Gibbs energies of various phases in eight Mn-RE binary systems were obtained. The calculated phase equilibria and thermodynamic properties of eight Mn-RE binary systems are in good accordance with the experimental results. Furthermore, phase equilibria and thermodynamic properties of 13 Mn-RE (RE = La, Ce, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, Tm, Lu, and Y) binary systems were discussed systematically in combination with the present calculations and the reported optimizations. A trend was found for the variation of phase equilibria and thermodynamic properties of the Mn-RE binary systems. In general, as the RE atomic number increases, the enthalpies of mixing of liquid alloys as well as the enthalpies of formation of the intermetallic compounds become increasingly negative, and the formation temperatures of the intermetallic compounds become higher. The results provide a complete set of self-consistent thermodynamic parameters for the Mn-RE binary systems, and a thermodynamic database of 13 Mn-RE binary systems was finally achieved.

Abstract Image

开发 Mn-RE(RE = 稀土金属)二元体系热力学数据库
在这项工作中,根据报告的优化和实验信息,采用 CALPHAD 方法对八个 Mn-RE(RE = Ce、Pr、Sm、Tb、Er、Tm、Lu 和 Y)二元体系进行了热力学重新评估。获得了描述八个 Mn-RE 双元体系中各种相的吉布斯能的自洽热力学参数。计算得出的八个 Mn-RE 二元体系的相平衡和热力学性质与实验结果十分吻合。此外,结合目前的计算和报告的优化结果,系统地讨论了 13 个 Mn-RE(RE = La、Ce、Pr、Nd、Sm、Gd、Tb、Dy、Ho、Er、Tm、Lu 和 Y)二元体系的相平衡和热力学性质。发现了 Mn-RE 双元体系相平衡和热力学性质的变化趋势。一般来说,随着 RE 原子序数的增加,液态合金的混合焓和金属间化合物的形成焓越来越负,金属间化合物的形成温度也越来越高。研究结果为 Mn-RE 二元体系提供了一套完整的自洽热力学参数,并最终建立了 13 个 Mn-RE 二元体系的热力学数据库。
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