Thermodynamic information of the Mo–Ti–Zr ternary system is extremely useful to provide guidance for biomedical alloy development. In the present work, the experimental phase diagram data available from the literature were critically reviewed, and a thermodynamic modeling of the Mo–Ti–Zr system was performed using the CALPHAD (CALculation of PHAse Diagram) approach. The solution phases including liquid, bcc_A2 (β) and hcp_A3 (α) were modelled by the substitutional solution model, and the laves_C15 phase was modelled using a two sublattice model. A set of self-consistent thermodynamic parameters was developed. Comprehensive comparisons between the calculated and measured phase diagrams demonstrate that the experimental information is satisfactorily accounted for by the present thermodynamic modeling. The discrepancies between the calculated and measured phase equilibria have been well explained in this work. With regard to the β phase, the miscibility gap and related phase relations are well described by the present calculation. The liquidus projection and Scheil solidification simulation were generated using the present thermodynamic parameters. The presently calculated phase diagrams of the Mo–Ti–Zr alloys can be used to guide the development of Mo–Ti–Zr biomedical alloys. Based on the present calculations, two guidelines were formulated to avoid the formation of laves phase in these frequently studied Mo–Ti–Zr biomedical alloys.

Mo-Ti-Zr三元系的热力学信息对于为生物医学合金的开发提供指导非常有用。在目前的工作中，严格审查了可从文献中获得的实验相图数据，并使用CALPHAD（PHAse图的计算）方法对Mo-Ti-Zr系统进行了热力学建模。通过替代溶液模型对包括液相，bcc_A2（β）和hcp_A3（α）的溶液相进行建模，并使用两个亚晶格模型对laves_C15相进行建模。开发了一套自洽的热力学参数。计算和实测相图之间的综合比较表明，本热力学模型令人满意地说明了实验信息。在这项工作中，已经很好地解释了计算出的相平衡和测量出的相平衡之间的差异。关于β相，本计算很好地描述了混溶间隙和相关的相关系。使用当前的热力学参数生成液相线投影和Scheil凝固模拟。目前计算的Mo-Ti-Zr合金相图可用于指导Mo-Ti-Zr生物医学合金的发展。根据目前的计算，制定了两个指南，以避免在这些经常研究的Mo-Ti-Zr生物医学合金中形成Laves相。使用当前的热力学参数生成液相线投影和Scheil凝固模拟。目前计算的Mo-Ti-Zr合金相图可用于指导Mo-Ti-Zr生物医学合金的发展。根据目前的计算，制定了两个指南，以避免在这些经常研究的Mo-Ti-Zr生物医学合金中形成Laves相。使用当前的热力学参数生成液相线投影和Scheil凝固模拟。目前计算的Mo-Ti-Zr合金相图可用于指导Mo-Ti-Zr生物医学合金的发展。根据目前的计算，制定了两个指南，以避免在这些经常研究的Mo-Ti-Zr生物医学合金中形成Laves相。