Experimental determination and thermodynamic description of the Fe–Nb–Zr system

IF 1.9 3区材料科学 Q4 CHEMISTRY, PHYSICAL

Calphad-computer Coupling of Phase Diagrams and Thermochemistry Pub Date : 2025-04-29 DOI:10.1016/j.calphad.2025.102831

Ziyu Cao , Lei Zou , Huimin Zheng , Cuiping Guo , Zhenmin Du

引用次数: 0

Abstract

In the Fe–Nb–Zr system, six primary solidification regions were identified in the liquidus surface projection by analyzing microstructures and phase constituents of 26 as-cast alloys. The equilibrium areas of 4 three phases and 7 two phases were determined by measuring the phase constituents of 24 equilibrated alloys at 1273 K. The solubility of Nb in Fe₂₃Zr₆ and λ₂ at 1273 K was ∼0.7 and 9.0 at. %, respectively, and that of Zr in μ and λ₁ at 1273 K was ∼8.1 and 38.4 at. %, respectively. The compound τ with NiTi₂ structure was confirmed to be stable at 1273 K, and the homogeneity range of Nb was ∼10.1–16.8 at. %. Combining the experimental results in literature and those of the current study, the Fe–Nb–Zr system was assessed by CALPHAD method. A set of self-consistent reliable thermodynamic parameters was derived.

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Fe-Nb-Zr体系的实验测定与热力学描述

在Fe-Nb-Zr体系中，通过分析26种铸态合金的显微组织和相组成，在液相表面投影上确定了6个初级凝固区。在1273 K时测定了24种平衡合金的相成分，确定了4种三相和7种两相的平衡面积。Nb在Fe23Zr6和λ2中的溶解度在1273 K时分别为~ 0.7和9.0 at。Zr在μ和λ1中，在1273 K下分别为~ 8.1和38.4 at。分别为%。具有NiTi2结构的化合物τ在1273 K时稳定，Nb的均匀性范围为~ 10.1 ~ 16.8 at。%。结合文献实验结果和本研究结果，采用CALPHAD法对Fe-Nb-Zr体系进行评价。导出了一组自洽可靠的热力学参数。

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.