Experimental investigation and thermodynamic calculation of the Al-Cr-Pd ternary system

IF 1.9 3区材料科学 Q4 CHEMISTRY, PHYSICAL Calphad-computer Coupling of Phase Diagrams and Thermochemistry Pub Date : 2024-11-18 DOI:10.1016/j.calphad.2024.102766

Siqi Wang , Wei Yu , Ying Ran , Jingxian Hu , Xinming Wang , Zhi Li , Fucheng Yin , Ya Liu

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Abstract

The phase relations of the Al-Cr-Pd ternary system above 1100 °C and the thermodynamic description were lacking to guide the compositional design of the Cr and Pd co-modified aluminide coating. Herein, the isothermal section of the Al-Cr-Pd ternary system at 1150 °C was experimentally determined through scanning electron microscopy coupled with energy-dispersive X-ray spectroscopy and X-ray diffraction. In addition, a thermodynamic description of the ternary system was established by the application of CALPHAD (CALculation of PHAse Diagrams) technique based on the experimental results of the isothermal section at 930, 970, 990, 1020 and 1150 °C. The solidification paths of typical alloys determined in the previous literature were also fitted. A set of self–consistent thermodynamic parameters for the Al-Cr-Pd ternary system was obtained with a reasonable agreement between the experimental and calculated results. The results provide a basis for the compositional design of aluminide coatings and enrich the Al-based database.

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铝-铬-钯三元体系的实验研究和热力学计算

1100 °C以上铝-铬-钯三元体系的相关系和热力学描述缺乏对铬和钯共改性铝涂层成分设计的指导。本文通过扫描电子显微镜、能量色散 X 射线光谱和 X 射线衍射，实验测定了铝-铬-钯三元体系在 1150 ℃ 时的等温截面。此外，根据 930、970、990、1020 和 1150 ℃ 等温段的实验结果，应用 CALPHAD（CALculation of PHAse Diagrams）技术建立了三元体系的热力学描述。此外，还拟合了以往文献中确定的典型合金的凝固路径。得到了一组自洽的铝-铬-钯三元体系热力学参数，实验结果与计算结果之间具有合理的一致性。这些结果为铝涂层的成分设计提供了依据，并丰富了铝基数据库。

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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.