摘要
热力学性质在高熵合金设计中起着重要作用,利用可靠的热力学模型进行理论计算来获取合金关键热力学数据已成为一种重要而有效的途径。利用现有二元热力学数据和改进的分子相互作用模型(M-MIVM)对CoCrFeNiMn系高熵合金固溶体的混合吉布斯自由能、混合焓、混合熵、过量吉布斯自由能、过量熵进行预测,同时考虑原子尺寸差异,从热力学角度评估该高熵合金形成的可能性、相稳定性和结构稳定成分。研究结果表明:CoCrFeNiMn体系满足高熵合金的热力学判据,易于形成五元高熵合金;在低Fe、高Ni和高Mn的条件下,该合金体系的混合自由能更负,结构越稳定,Co_(0.15)Cr_(0.15)Fe_(0.1)Ni_(0.3)Mn_(0.3)是一个较优的合金成分设计方案;在高温条件下,该合金体系的混合自由能显著下降,合金稳定性增强。研究可为CoCrFeNiMn系高熵合金设计提供较为可靠的热力学数据和理论指导。
Thermodynamic properties play an important role in the design of high-entropy alloys.It has become an important and effective way to use reliable thermodynamic models for theoretical calculation to obtain key thermodynamic data of alloys.In this paper,the existing binary thermodynamic data and the modified M-MIVM are used to predict the Gibbs free energy of mixing,enthalpy of mixing,entropy of mixing,excess Gibbs free energy and excess entropy of the CoCrFeNiMn high-entropy alloy solid solution.At the same time,considering the difference of atomic size,the possibility of the formation of the high-entropy alloy,phase stability and structural stability composition are evaluated from the thermodynamic point of view.The results show that the CoCrFeNiMn system meets the thermodynamic criteria of high-entropy alloy and is easy to form a five-element high-entropy alloy.Under the conditions of low iron content,high nickel content and high manganese content,the Gibbs free energy of mixing of the alloy system is more negative and the structure is more stable.Co_(0.15)Cr_(0.15)Fe_(0.1)Ni_(0.3)Mn_(0.3)is a better alloy composition design scheme.At high temperature,the Gibbs free energy of mixing of the alloy system decreases significantly and the stability of the alloy increases.This study can provide reliable thermodynamic data and theoretical guidance for the design of CoCrFeNiMn high-entropy alloys.
作者
刘振楠
孙应
姚春玲
刘聪
程涌
孔骏豪
LIU Zhen-nan;SUN Ying;YAO Chun-ling;LIU Cong;CHENG Yong;KONG Jun-hao(Faculty of Metallurgy and Mining,Kunming Metallurgy College,Kunming 650033,China;Kunming Key Laboratory of Comprehensive Utilization Resources of Rare and Precious Metals,Kunming 650033,China;School of Earth Sciences,Yunnan University,Kunming 650500,China)
出处
《矿冶》
CAS
2023年第3期61-69,共9页
Mining And Metallurgy
基金
云南省教育厅科学研究基金资助项目(2022J1303,2022J1032)
昆明冶金高等专科学校校级科研基金资助项目(2021XJZK04)。
