Co-Ni-B体系的实验研究与热力学建模

IF 1.9 3区材料科学 Q4 CHEMISTRY, PHYSICAL

Calphad-computer Coupling of Phase Diagrams and Thermochemistry Pub Date : 2025-02-24 DOI:10.1016/j.calphad.2025.102804

Hong Bo, Rui Cheng, Yanwei Han, Xudong Chen, Li-min Wang

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引用次数: 0

摘要

作为高温大块金属玻璃体系的三元分系统，通过实验和热力学建模对Co-Ni-B体系进行了系统的研究。利用电子探针显微分析仪（EPMA）、波长色散光谱仪（WDS）和x射线衍射仪（XRD）对平衡合金在1073 K时的等温截面进行了研究。差示扫描量热法（DSC）测试也进行了确定相变温度。结合实验数据和第一性原理计算结果，采用计算相图（CALPHAD）方法对Co-Ni-B体系进行了热力学优化。计算的等温剖面、垂直剖面和液相投影与实验数据吻合较好。本研究为建立包含钴-镍- b的多组分热力学数据库奠定了基础，为新型高温金属玻璃的设计提供了依据。

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Experimental investigation and thermodynamic modeling of the Co-Ni-B system

As a ternary subsystem of the high-temperature bulk metallic glass system, the Co-Ni-B system was systematically studied through both experimentation and thermodynamic modeling. Using equilibrated alloys, the isothermal section at 1073 K was investigated via electron probe microanalyzer (EPMA) equipped with wavelength dispersive spectrometer (WDS) and x-ray diffraction (XRD). Differential scanning calorimetry (DSC) tests were also conducted to determine the phase transition temperatures. By combining the experimental data and first-principles calculation results from this work, the Co-Ni-B system was thermodynamically optimized with the CALculation of PHAse Diagram (CALPHAD) method. The calculated isothermal section, vertical section and liquidus projection accounted for the experimental data successfully. This study provides a foundation for establishing a multi-component thermodynamic database that includes Co-Ni-B and facilitates the design of novel high-temperature metallic glasses.

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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.