多组分合金热力学计算原理的扩展及其在铬-钼-铌-钒高熵合金热力学性质研究中的应用

IF 4.3 3区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY
Yiqing Wang, Cai Li, Ye Yuan, Yimao Yu, Kai Wang, Yuan Huang
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引用次数: 0

摘要

本文在改进的 Miedema 模型和由 Chou 模型扩展的四元合金计算模型的基础上,通过 Wagner 和马中亭等人的三元合金活度计算模型,将三元合金体系的活度计算模型扩展到四元合金体系,并在扩展的四元合金计算模型中使用了新的偏差函数来计算四元合金的热力学性质,该偏差函数同时满足了非负性和还原性的特点。本文利用所建立的模型,计算了 Cr-Mo-Nb-V 四元高熵合金体系中各个亚二元、亚三元和四元体系的热力学数据。随后,本文分析了成分之间的相互作用,预测了合金体系中可能出现的析出相,并解释了在合金体系中形成固溶体的可能性。最终结果与文献中研究铬-钼-铌-钒四元合金体系的结果一致,验证了所建立模型在混溶合金体系中的适用性,丰富了铬-钼-铌-钒合金的热力学数据库,为多组分合金的设计提供了理论参考和思路。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Expansion of thermodynamic calculation principle of multi-component alloy and its application in the study of thermodynamic properties of the Cr–Mo–Nb–V high entropy alloy

Expansion of thermodynamic calculation principle of multi-component alloy and its application in the study of thermodynamic properties of the Cr–Mo–Nb–V high entropy alloy
In this paper, based on the improved Miedema model and the quaternary alloy calculation model expanded by Chou model, the activity calculation model of the ternary alloy system is extended to the quaternary alloy system through the ternary alloy activity calculation model of Wagner and Ma Zhongting et al. In addition, a new deviation function is used in the expanded quaternary alloy calculation model to calculate the thermodynamic properties of quaternary alloys, which meets the characteristics of both non-negativity and reducibility. Using the developed model, this paper calculates the thermodynamic data of each sub-binary, sub-ternary, and quaternary system in the Cr–Mo–Nb–V quaternary high entropy alloy system. Subsequently, this paper analyzes the interactions between components, predicts the possible precipitated phases in the alloy system, and explains the possibility of forming a solid solution in the alloy system. The final results are consistent with those shown in the literatures on studying the Cr–Mo–Nb–V quaternary alloy system, which verifies the applicability of the developed model in the miscible alloy system, enriches the thermodynamic database of Cr–Mo–Nb–V alloy, and provides theoretical reference and ideas for the design of multi-component alloys.
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来源期刊
Materials Chemistry and Physics
Materials Chemistry and Physics 工程技术-材料科学:综合
CiteScore
8.70
自引率
4.30%
发文量
1515
审稿时长
69 days
期刊介绍: Materials Chemistry and Physics is devoted to short communications, full-length research papers and feature articles on interrelationships among structure, properties, processing and performance of materials. The Editors welcome manuscripts on thin films, surface and interface science, materials degradation and reliability, metallurgy, semiconductors and optoelectronic materials, fine ceramics, magnetics, superconductors, specialty polymers, nano-materials and composite materials.
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