This paper is dedicated to the Calphad modelling of the Cr–Fe–Nb–Sn–Zr quinary system. In previous papers, the thermodynamic modelling of the Cr–Nb–Sn–Zr quaternary system, the Fe–Sn–Zr and Fe–Nb–Zr ternary systems as well as the Fe–Nb binary system were carried out. Since no experimental data were available for the Cr–Fe–Sn and Fe–Nb–Sn ternary systems, new partial isothermal sections have been measured at 1073K and 973K, respectively. In addition to these experimental data, Density Functional Theory (DFT) calculations are performed in order to determine formation enthalpies of the stable and metastable ordered compounds. At last, the Special Quasirandom Structures (SQS) method is used together with DFT calculations in order to calculate the mixing enthalpy of the A2 (bcc) binary solid solution. Finally, these experimental and calculated data are jointly used with those from the literature as input data for the Calphad modelling of the Cr–Fe binary system as well as the Cr–Fe–Nb, Cr–Fe–Sn, Cr–Fe–Zr and Fe–Nb–Sn ternary systems. The ternary systems are then combined into a quinary database for which application examples are provided.

本文致力于Cr-Fe-Nb-Sn-Zr五元体系的Calphad建模。在以前的论文中，对Cr-Nb-Sn-Zr四元体系，Fe-Sn-Zr和Fe-Nb-Zr三元体系以及Fe-Nb二元体系进行了热力学建模。由于没有关于Cr-Fe-Sn和Fe-Nb-Sn三元体系的实验数据，新的等温截面分别在1073K和973K处测得。除这些实验数据外，还执行密度泛函理论（DFT）计算，以确定稳定和亚稳态有序化合物的形成焓。最后，将特殊拟随机结构（SQS）方法与DFT计算一起使用，以计算A 2（bcc）二元固溶体。最后，这些实验和计算数据与文献数据一起用作Cr-Fe二元系统以及Cr-Fe-Nb，Cr-Fe-Sn，Cr-Fe-Zr的Calphad建模的输入数据。 Fe-Nb-Sn三元系。然后将三元系统合并到一个五进制数据库中，为其提供应用程序示例。