Experimental investigation and thermodynamic calculation of the Si-Zr-Ag ternary system

IF 1.9 3区材料科学 Q4 CHEMISTRY, PHYSICAL

Calphad-computer Coupling of Phase Diagrams and Thermochemistry Pub Date : 2025-07-12 DOI:10.1016/j.calphad.2025.102858

Zhaohui Long , Shan Yang , Lunjun Gong , Hong Bo , Cong Li , Haohan She , Fucheng Yin

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引用次数: 0

Abstract

The phase equilibria in the Si-Zr-Ag ternary system at 650 °C and 750 °C were investigated using the equilibrated alloy approach. Scanning electron microscopy equipped with energy dispersive spectroscopy (SEM-EDS) and X-ray diffraction (XRD) have been applied to characterize the phase constitution of the alloys. At 650 °C and 750 °C, Six three-phase regions have been detected. The ternary compounds τ₁ and τ₂ were found in the two isothermal sections. τ₁ was identified as a body-centered cubic structure by transmission electron microscopy (TEM) analysis, with the lattice parameters determined as a = 0.3738 nm, α = β = γ = 90°. Based on the experimental results on phase equilibrium, the CALPHAD approach was used to develop the thermodynamic description of the Si-Zr-Ag ternary system. The calculated isothermal sections show excellent agreement with the experimental ones. Then, the liquidus projection was predicted with the obtained thermodynamic parameters.

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Si-Zr-Ag三元体系的实验研究与热力学计算

采用平衡合金法研究了Si-Zr-Ag三元体系在650℃和750℃时的相平衡。利用扫描电子显微镜、能谱仪（SEM-EDS）和x射线衍射仪（XRD）对合金的相组成进行了表征。在650°C和750°C时，检测到六个三相区域。在两个等温截面上发现了三元化合物τ1和τ2。透射电镜（TEM）分析表明τ1为体心立方结构，晶格参数为a = 0.3738 nm, α = β = γ = 90°。基于相平衡的实验结果，采用CALPHAD方法建立了Si-Zr-Ag三元体系的热力学描述。计算的等温截面与实验结果吻合良好。然后，利用得到的热力学参数对液相线投影进行预测。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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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.