C-Fe-Zr 三元体系的实验研究和热力学评估

IF 1.9 3区材料科学 Q4 CHEMISTRY, PHYSICAL Calphad-computer Coupling of Phase Diagrams and Thermochemistry Pub Date : 2024-01-01 DOI:10.1016/j.calphad.2023.102657

Yueshan Jiang , Junxiong Wang , Yanlin He , Xin Xu , Weisen Zheng , Jianlei Zhang , Rendong Liu

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引用次数: 0

摘要

通过结合 X 射线衍射 (XRD)、扫描电子显微镜 (SEM) 和电子探针显微分析 (EPMA) 技术获得的实验数据，研究了 C-Fe-Zr 三元体系的相关系。实验测定了 C-Fe-Zr 体系在 1173 K、1273 K、1373 K 和 1473 K 时的等温截面，在该体系中没有发现三元化合物。利用CALculation of PHAse Diagram（CALPHAD）方法首次获得了一组自洽的C-Fe-Zr体系热力学参数，计算结果与实验数据显示出良好的一致性。它可以为作为必要子系统之一的熔铈组成提供可靠的热力学信息。

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Experimental investigation and thermodynamic evaluation of the C–Fe–Zr ternary system

Phase relations in the C–Fe–Zr ternary system were investigated using the experimental data obtained through the combination of X-ray diffraction (XRD), scanning electron microscopy (SEM), and electron probe microanalysis (EPMA) techniques. Isothermal sections of the C–Fe–Zr system were experimentally determined at 1173 K, 1273 K, 1373 K, and 1473 K, and no ternary compound was found in this system. A self-consistent set of thermodynamic parameters of the C–Fe–Zr system were obtained for the first time using the CALculation of PHAse Diagram (CALPHAD) method, and the calculated results showed good consistency with the experimental data. It can provide reliable thermodynamic information of molten corium composition as one of necessary subsystems.

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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.