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Thermodynamics and Chemical Ordering of Liquid Cu-Hf-Ni-Ti-Zr Alloys
Journal of Phase Equilibria and Diffusion ( IF 1.5 ) Pub Date : 2021-06-30 , DOI: 10.1007/s11669-021-00898-6
Mikhail Turchanin , Pavel Agraval , Liya Dreval , Anna Vodopyanova

A database to calculate the thermodynamic properties of the liquid quinary Cu-Hf-Ni-Ti-Zr glass forming alloys is developed in the framework of the CALPHAD method. The thermodynamic properties of liquid alloys are modeled using the associate solution model. The thermodynamic properties of three-, four- and five-component liquid alloys of the Cu-Hf-Ni-Ti-Zr system are calculated for a wide composition range. Particular attention is paid to alloys of equiatomic composition, including high-entropy CuHfNiTiZr alloy. The interplay of the ideal and excess contributions to the Gibbs energy of mixing for multicomponent liquid alloys is analyzed, and their role in the thermodynamic stability of the liquid phase is discussed. The amorphization ranges in quaternary and quinary systems are predicted by considering a total molar fraction of associates in liquid alloys. It is shown that equiatomic CuHfNiTiZr liquid falls into the predicted amorphization space. The predicted amorphization ranges for quaternary and quinary systems agree well with available experimental data.



中文翻译:

液态 Cu-Hf-Ni-Ti-Zr 合金的热力学和化学排序

在 CALPHAD 方法的框架内开发了用于计算液态五元 Cu-Hf-Ni-Ti-Zr 玻璃成型合金的热力学性能的数据库。液态合金的热力学特性使用关联溶液模型进行建模。计算了 Cu-Hf-Ni-Ti-Zr 系统的三组分、四组分和五组分液态合金的热力学性能,其成分范围很广。特别关注等原子组成的合金,包括高熵 CuHfNiTiZr 合金。分析了理想和过度贡献对多组分液态合金的吉布斯混合能的相互作用,并讨论了它们在液相热力学稳定性中的作用。通过考虑液态合金中缔合体的总摩尔分数来预测四元和五元系统中的非晶化范围。结果表明,等原子的 CuHfNiTiZr 液体落入了预测的非晶化空间。四元和五元系统的预测非晶化范围与可用的实验数据非常吻合。

更新日期:2021-07-01
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