Experimental investigation and thermodynamic calculation of the Co–Zn–Zr ternary system

IF 1.9 3区材料科学 Q4 CHEMISTRY, PHYSICAL

Calphad-computer Coupling of Phase Diagrams and Thermochemistry Pub Date : 2023-11-25 DOI:10.1016/j.calphad.2023.102640

Xuemei Ouyang , Xu Zhao , Che He , Fucheng Yin , Xinming Wang , Jingxian Hu

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引用次数: 0

Abstract

The phase equilibria of the Co–Zn–Zr ternary system were systematically studied by combining experimental analysis and thermodynamic modelling. The 450 °C isothermal section at the Zn-rich corner and the 600 °C isothermal section of Co–Zn–Zr system were studied by means of scanning electron microscopy, energy dispersive X-ray spectroscopy and X-ray diffraction. Seventeen and ten three-phase regions were obtained at 600 and 450 °C isothermal sections, respectively. Three stable ternary compounds named τ₁ (ZrCo₂Zn₂₀), τ₂ (Zr₅Co₃Zn₁₂) and τ₃ (Zr₁₀Co₃Zn₇) were found in the 600 °C isothermal section. Among them, the Bravais lattice symmetry of the τ₂ phase is a simple tetragonal lattice, and its lattice parameters are a = 8.945 Å, b = 8.945 Å, c = 11.737 Å and α = β = γ = 90°. Based on the comprehensive evaluation of the current experimental results and the data reported in the literature, the thermodynamic description of the system was developed using the CALPHAD technique. A set of self-consistent thermodynamic parameters for the Co–Zn–Zr ternary system was obtained with good agreement between the experimental and calculated results.

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Co-Zn-Zr三元体系的实验研究与热力学计算

采用实验分析和热力学模拟相结合的方法，系统地研究了Co-Zn-Zr三元体系的相平衡。采用扫描电镜、x射线能谱和x射线衍射等手段对450℃富锌角等温切片和600℃Co-Zn-Zr体系等温切片进行了研究。在600°C和450°C等温切片上分别得到17个和10个三相区。在600℃等温剖面上发现了三个稳定的三元化合物τ1 (ZrCo2Zn20)、τ2 (Zr5Co3Zn12)和τ3 (Zr10Co3Zn7)。其中，τ2相的Bravais晶格对称为简单的四边形晶格，其晶格参数为a = 8.945 Å， b = 8.945 Å， c = 11.737 Å， α = β = γ = 90°。在综合评价现有实验结果和文献报道数据的基础上，利用CALPHAD技术建立了系统的热力学描述。得到了一组自洽的Co-Zn-Zr三元体系热力学参数，实验结果与计算结果吻合较好。

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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.