Thermodynamic Evaluation of the Fe-Zn Binary System with Reference to the Latest Experimental Phase Diagram

IF 1.5 4区材料科学 Q4 CHEMISTRY, PHYSICAL

Journal of Phase Equilibria and Diffusion Pub Date : 2024-05-05 DOI:10.1007/s11669-024-01110-1

Ikuo Ohnuma, Kwangsik Han, Inho Lee, Takako Yamashita, Ryosuke Kainuma

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Abstract

The phase diagram of the Fe-Zn binary system was evaluated based on the CALPHAD method with reference to the latest experimental data. The solubility ranges of the intermetallic compound phases, Γ-Fe₄Zn₉, Γ₁-Fe₁₁Zn₄₀, δ_1k-FeZn₇, δ_1p- Fe₁₃Zn₁₂₆, and ζ-FeZn₁₃ were modeled considering their structures consisting of Zn₁₂ icosahedra with Fe at the center (Fe₁Zn₁₂ clusters) as well as glue-like Fe and Zn atoms, and the miscibility gap between the δ_1k and δ_1p phases was also taken into account in the present calculations. The solubility of Fe in the liquid and (ηZn) phases that was confirmed as dozens of times larger than the values reported in the earlier literature could be calculated by introducing Fe₁Zn₁₂ associates to these solution phases. Consequently, all phase equilibria were adequately reproduced by the thermodynamic models and parameters revised in the present study.

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参照最新实验相图对铁锌二元体系进行热力学评估

根据 CALPHAD 方法并参考最新实验数据，评估了铁锌二元体系的相图。考虑到金属间化合物相Γ-Fe4Zn9、Γ1-Fe11Zn40、δ1k-FeZn7、δ1p- Fe13Zn126 和ζ-FeZn13 的结构包括以 Fe 为中心的 Zn12 二十面体（Fe1Zn12 簇）以及胶状的 Fe 原子和 Zn 原子，对它们的溶解度范围进行了建模、本计算还考虑了 δ1k 相与 δ1p 相之间的混溶隙。铁在液相和（ηZn）相中的溶解度经证实比早期文献报道的数值大几十倍，可以通过在这些溶液相中引入 Fe1Zn12 同系物来计算。因此，本研究中修订的热力学模型和参数充分再现了所有相平衡。

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

Journal of Phase Equilibria and Diffusion 工程技术-材料科学：综合

CiteScore

2.50

自引率

7.10%

发文量

审稿时长

1 months

期刊介绍： The most trusted journal for phase equilibria and thermodynamic research, ASM International''s Journal of Phase Equilibria and Diffusion features critical phase diagram evaluations on scientifically and industrially important alloy systems, authored by international experts. The Journal of Phase Equilibria and Diffusion is critically reviewed and contains basic and applied research results, a survey of current literature and other pertinent articles. The journal covers the significance of diagrams as well as new research techniques, equipment, data evaluation, nomenclature, presentation and other aspects of phase diagram preparation and use. Content includes information on phenomena such as kinetic control of equilibrium, coherency effects, impurity effects, and thermodynamic and crystallographic characteristics. The journal updates systems previously published in the Bulletin of Alloy Phase Diagrams as new data are discovered.