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基于文献报导的实验数据,采用相图计算(CALPHAD)方法,热力学优化了Bi-Ni二元系相图。该二元系的液相、fcc_A1(Ni)相和rhombohedral_A7(Bi)相用替换溶液模型来描述,其过剩吉布斯自由能用Redlich-Kister多项式来表达。考虑到晶体结构(NiAs型)以及与多组元体系热力学数据库的兼容性,中间化合物BiNi相采用亚点阵模型:(Bi)(Ni,Va)(Ni,Va);Bi3Ni相处理为化学计量比化合物。最后,通过优化该二元系实测的相图和热力学数据,获得一组能够表达各相吉布斯自由能的自洽的热力学参数。根据这些热力学参数计算的相图和热力学数据与报导的实验数据吻合良好。
Based on the experimental data reported in the literature, the phase diagram calculation (CALPHAD) method was used to optimize the Bi-Ni binary system phase diagram. The binary system of the liquid phase, fcc_A1 (Ni) phase and rhombohedral_A7 (Bi) phase with a replacement solution model to describe the excess Gibbs free energy can be expressed using the Redlich-Kister polynomial. Taking into account the crystal structure (NiAs type) and the compatibility with the multi-component thermodynamic database, the intermediate compound BiNi phase adopts the sub-lattice model: (Bi) (Ni, Va) (Ni, Va) Than the compound. Finally, by optimizing the phase diagrams and thermodynamic data of the binary system, a set of self-consistent thermodynamic parameters can be obtained that can express the Gibbs free energy of each phase. The phase diagrams and thermodynamic data calculated from these thermodynamic parameters are in good agreement with the reported experimental data.