Thermodynamic assessment of La–Fe–Si systems

IF 1.9 3区 材料科学 Q4 CHEMISTRY, PHYSICAL Calphad-computer Coupling of Phase Diagrams and Thermochemistry Pub Date : 2023-11-27 DOI:10.1016/j.calphad.2023.102643
Enlang Feng , Kailin Huang , Jiang Wang , Fangyu Gan , Qingrong Yao , Zhao Lu , Qingkai Yang , Zhimao Lu , Zongning Chen , Caimin Huang , Qianxin Long , Huaiying Zhou , Liying Luo
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引用次数: 0

Abstract

The phase equilibria of the La–Fe–Si system were investigated using a combination of experimental and thermodynamic modeling methods. The isothermal cross-section of the La–Fe–Si ternary system in the (Fe, Si)-rich region at 1373 K was experimentally investigated using electron probe microanalysis (EPMA) and X-ray diffraction (XRD). Based on the experimental results and literature reports of the La–Fe–Si system, the thermodynamic model parameters of the system were optimized using the CALPHAD method. The intermediate compounds in the La–Si binary system and ternary compounds in the La–Fe–Si ternary system were described via sublattice models. The calculated thermodynamic and phase equilibria data were in good agreement with the experimental data, providing a foundation for the development of a multi-component thermodynamic database for LaFeSi-based alloys.

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La-Fe-Si体系的热力学评价
采用实验和热力学模拟相结合的方法研究了La-Fe-Si体系的相平衡。利用电子探针显微分析(EPMA)和x射线衍射(XRD)研究了1373 K时富(Fe, Si)区La-Fe-Si三元体系的等温截面。基于实验结果和文献报道,利用CALPHAD方法对La-Fe-Si体系的热力学模型参数进行了优化。用亚晶格模型描述了La-Si二元体系中的中间化合物和La-Fe-Si三元体系中的三元化合物。计算得到的热力学和相平衡数据与实验数据吻合较好,为建立lafesi基合金多组分热力学数据库奠定了基础。
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来源期刊
CiteScore
4.00
自引率
16.70%
发文量
94
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.
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