Experimental investigation and thermodynamic calculation of phase equilibria in the ternary Si-Zn-Zr system

IF 1.9 3区材料科学 Q4 CHEMISTRY, PHYSICAL Calphad-computer Coupling of Phase Diagrams and Thermochemistry Pub Date : 2024-12-24 DOI:10.1016/j.calphad.2024.102789

Xinneng Wang , Manxiu Zhao , Xinlong He , Zhaohui Long , Fucheng Yin

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Abstract

The phase equilibria of the Si-Zn-Zr ternary system at 450 °C and 600 °C were studied using the equilibrium alloy method. The phase constitution of the alloys were analyzed by means of the scanning electron microscope equipped with energy dispersive X-ray spectroscopy (SEM-EDS), and X-ray diffraction (XRD). The results show that eleven three-phase regions exist in the isothermal section at 450 °C, and twelve three-phase zones exist in the isothermal section at 600 °C. A ternary compound Zr₆Zn₂₃Si was found to exist in the isothermal section at 600 °C. The solubility of the third component in the binary compounds was determined. Combined with experimental results and literature data, the thermodynamic calculation of the Si-Zn-Zr ternary system was carried out using the CALPHAD (Calculation of Phase Diagrams) method. A set of self-consistent thermodynamic parameters for the Si-Zn-Zr ternary system was obtained. The calculated results are in good agreement with the experiment data.

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Si-Zn-Zr 三元体系相平衡的实验研究和热力学计算

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来源期刊

Calphad-computer Coupling of Phase Diagrams and Thermochemistry 化学-热力学

CiteScore

4.00

自引率

16.70%

发文量

审稿时长

2.5 months

期刊介绍： The design of industrial processes requires reliable thermodynamic data. CALPHAD (Computer Coupling of Phase Diagrams and Thermochemistry) aims to promote computational thermodynamics through development of models to represent thermodynamic properties for various phases which permit prediction of properties of multicomponent systems from those of binary and ternary subsystems, critical assessment of data and their incorporation into self-consistent databases, development of software to optimize and derive thermodynamic parameters and the development and use of databanks for calculations to improve understanding of various industrial and technological processes. This work is disseminated through the CALPHAD journal and its annual conference.