Experimental investigation and thermodynamic description of binary Er-Si and ternary Al-Si-Er systems

IF 1.9 3区材料科学 Q4 CHEMISTRY, PHYSICAL

Calphad-computer Coupling of Phase Diagrams and Thermochemistry Pub Date : 2025-06-09 DOI:10.1016/j.calphad.2025.102839

Jin Tao , Rui Zhang , Yuhan Wang , Zewei Chen , Shitao Zhang , Caimin Huang , Qianxin Long , Zhao Lu , Like Tao , Qingrong Yao , Jiang Wang

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引用次数: 0

Abstract

In this study, thermodynamic optimization of the Er-Si binary system was performed using the CALPHAD method. The calculated phase diagram showed good consistency with existing experimental data. Furthermore, the phase equilibrium of the Al-Si-Er ternary system was investigated via electron probe microanalysis (EPMA) and X-ray diffraction (XRD), building on prior experimental data. Based on the experimental results obtained in this work and literature reports, the thermodynamic parameters of the Al-Si-Er ternary system were optimized. Both calculated isothermal cross section at 600 °C and the vertical cross section along Al₇₀Si₃₀-Al₇₀Er₃₀ (at. %) in the ternary system are in agreement with experimental data, indicating reliability of the thermodynamic description. This work provides essential foundational data for the development of high-performance rare earth Al-Si-Er alloys.

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二元Er-Si和三元Al-Si-Er体系的实验研究和热力学描述

本研究采用CALPHAD方法对Er-Si二元体系进行热力学优化。计算得到的相图与已有实验数据吻合较好。在前人实验数据的基础上，利用电子探针微分析（EPMA）和x射线衍射（XRD）研究了Al-Si-Er三元体系的相平衡。根据实验结果和文献报道，对Al-Si-Er三元体系的热力学参数进行了优化。计算了600℃时的等温截面和沿Al70Si30-Al70Er30 （at）的垂直截面。%)与实验数据一致，表明热力学描述的可靠性。该工作为开发高性能稀土Al-Si-Er合金提供了必要的基础数据。

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.