J. Wang , K. Song , G. Fu , L. Sun , M.H. Rong , Q.R. Yao , G.H. Rao , H.Y. Zhou
{"title":"Ce-Fe-B三元体系相平衡的实验测定与热力学计算","authors":"J. Wang , K. Song , G. Fu , L. Sun , M.H. Rong , Q.R. Yao , G.H. Rao , H.Y. Zhou","doi":"10.1016/j.calphad.2025.102885","DOIUrl":null,"url":null,"abstract":"<div><div>In this work, the phase equilibria of the Ce-Fe-B ternary system were investigated experimentally by using the equilibrated alloy method with electron probe microanalysis (EPMA) with wavelength-dispersive spectrometer (WDS), scanning electron microscopy (SEM) with energy dispersive spectroscopy (EDS) and X-ray powder diffraction (XRD). The experimental results revealed that three ternary intermetallic compounds Ce<sub>2</sub>Fe<sub>14</sub>B (τ<sub>1</sub>) with the Nd<sub>2</sub>Fe<sub>14</sub>B-type structure and space group <em>P</em>4<sub>2</sub>/<em>mnm</em>, Ce<sub>1.1</sub>Fe<sub>4</sub>B<sub>4</sub> (τ<sub>2</sub>) with the Nd<sub>l+ε</sub>Fe<sub>4</sub>B<sub>4</sub>-type structure and space group <em>P</em>4<sub>2</sub>/<em>n</em>, and Ce<sub>5</sub>Fe<sub>2</sub>B<sub>6</sub> (τ<sub>3</sub>) with the Pr<sub>5</sub>Co<sub>2</sub>B<sub>6</sub>-type structure and space group <span><math><mrow><mi>R</mi><mover><mn>3</mn><mo>‾</mo></mover><mi>m</mi></mrow></math></span> were confirmed, and two isothermal sections of the Ce-Fe-B ternary system at 673 K and 873 K were determined. Furthermore, based on the experimental results measured in this work and reported in the literature, thermodynamic calculation of the Ce-Fe-B ternary system was performed using the CALPHAD method in combination with the previous assessments of the Ce-Fe, Ce-B and Fe-B binary systems. The calculated isothermal sections, vertical sections and liquidus projection in the Ce-Fe-B ternary system show good agreement with the experimental results. It indicates that the self-consistent thermodynamic parameters of this ternary system were obtained in this work. This research provides a solid foundation for establishing a thermodynamic database of the multi-component Nd-Fe-B-based alloy systems, and then designing novel Nd-Fe-B permanent magnets containing high-abundant rare earth elements.</div></div>","PeriodicalId":9436,"journal":{"name":"Calphad-computer Coupling of Phase Diagrams and Thermochemistry","volume":"91 ","pages":"Article 102885"},"PeriodicalIF":1.9000,"publicationDate":"2025-09-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Experimental determination and thermodynamic calculation of phase equilibria in the Ce-Fe-B ternary system\",\"authors\":\"J. Wang , K. Song , G. Fu , L. Sun , M.H. Rong , Q.R. Yao , G.H. Rao , H.Y. Zhou\",\"doi\":\"10.1016/j.calphad.2025.102885\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>In this work, the phase equilibria of the Ce-Fe-B ternary system were investigated experimentally by using the equilibrated alloy method with electron probe microanalysis (EPMA) with wavelength-dispersive spectrometer (WDS), scanning electron microscopy (SEM) with energy dispersive spectroscopy (EDS) and X-ray powder diffraction (XRD). The experimental results revealed that three ternary intermetallic compounds Ce<sub>2</sub>Fe<sub>14</sub>B (τ<sub>1</sub>) with the Nd<sub>2</sub>Fe<sub>14</sub>B-type structure and space group <em>P</em>4<sub>2</sub>/<em>mnm</em>, Ce<sub>1.1</sub>Fe<sub>4</sub>B<sub>4</sub> (τ<sub>2</sub>) with the Nd<sub>l+ε</sub>Fe<sub>4</sub>B<sub>4</sub>-type structure and space group <em>P</em>4<sub>2</sub>/<em>n</em>, and Ce<sub>5</sub>Fe<sub>2</sub>B<sub>6</sub> (τ<sub>3</sub>) with the Pr<sub>5</sub>Co<sub>2</sub>B<sub>6</sub>-type structure and space group <span><math><mrow><mi>R</mi><mover><mn>3</mn><mo>‾</mo></mover><mi>m</mi></mrow></math></span> were confirmed, and two isothermal sections of the Ce-Fe-B ternary system at 673 K and 873 K were determined. Furthermore, based on the experimental results measured in this work and reported in the literature, thermodynamic calculation of the Ce-Fe-B ternary system was performed using the CALPHAD method in combination with the previous assessments of the Ce-Fe, Ce-B and Fe-B binary systems. The calculated isothermal sections, vertical sections and liquidus projection in the Ce-Fe-B ternary system show good agreement with the experimental results. It indicates that the self-consistent thermodynamic parameters of this ternary system were obtained in this work. This research provides a solid foundation for establishing a thermodynamic database of the multi-component Nd-Fe-B-based alloy systems, and then designing novel Nd-Fe-B permanent magnets containing high-abundant rare earth elements.</div></div>\",\"PeriodicalId\":9436,\"journal\":{\"name\":\"Calphad-computer Coupling of Phase Diagrams and Thermochemistry\",\"volume\":\"91 \",\"pages\":\"Article 102885\"},\"PeriodicalIF\":1.9000,\"publicationDate\":\"2025-09-29\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Calphad-computer Coupling of Phase Diagrams and Thermochemistry\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0364591625000884\",\"RegionNum\":3,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Calphad-computer Coupling of Phase Diagrams and Thermochemistry","FirstCategoryId":"88","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0364591625000884","RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
Experimental determination and thermodynamic calculation of phase equilibria in the Ce-Fe-B ternary system
In this work, the phase equilibria of the Ce-Fe-B ternary system were investigated experimentally by using the equilibrated alloy method with electron probe microanalysis (EPMA) with wavelength-dispersive spectrometer (WDS), scanning electron microscopy (SEM) with energy dispersive spectroscopy (EDS) and X-ray powder diffraction (XRD). The experimental results revealed that three ternary intermetallic compounds Ce2Fe14B (τ1) with the Nd2Fe14B-type structure and space group P42/mnm, Ce1.1Fe4B4 (τ2) with the Ndl+εFe4B4-type structure and space group P42/n, and Ce5Fe2B6 (τ3) with the Pr5Co2B6-type structure and space group were confirmed, and two isothermal sections of the Ce-Fe-B ternary system at 673 K and 873 K were determined. Furthermore, based on the experimental results measured in this work and reported in the literature, thermodynamic calculation of the Ce-Fe-B ternary system was performed using the CALPHAD method in combination with the previous assessments of the Ce-Fe, Ce-B and Fe-B binary systems. The calculated isothermal sections, vertical sections and liquidus projection in the Ce-Fe-B ternary system show good agreement with the experimental results. It indicates that the self-consistent thermodynamic parameters of this ternary system were obtained in this work. This research provides a solid foundation for establishing a thermodynamic database of the multi-component Nd-Fe-B-based alloy systems, and then designing novel Nd-Fe-B permanent magnets containing high-abundant rare earth elements.
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.