(1. 广西教育学院 数学与信息科学学院，南宁 530023；
2. 广西大学 物理科学与工程技术学院，南宁 530004；
3. 广西教育学院 智能计算及模拟研究所，南宁 530023)
摘 要: 高熵合金具有高硬度、高强度、良好的耐磨性以及耐腐蚀性等优异性能。高熵合金一般由5种或5种以上金属元素组成，不同金属元素可以提高合金内部混乱程度，形成具有简单晶格结构的固溶体相。Miedema理论和几何扩展模型可以计算多组元合金固溶状态的混合焓，而混合焓对高熵合金的固溶相的形成有重要影响。本文利用扩展Miedema理论计算Alx(CuMgSi-T)1-x (T=Ag, As, Au, B, Ba, Be, Bi, C, Ca, Cd, Co, Cr, Cs, Fe, Ga, Ge, Hf, Hg, In, Ir, K, La, Li, Mn, Mo, N, Na, Nb, Ni, Os, P, Pb, Pd, Pt, Rb, Re, Rh, Ru, Sb, Sc, Sn, Sr, Ta, Tc, Ti, Tl, V, W, Y, Zn, Zr)五元合金体系固溶状态的混合焓，用已有高熵合金混合焓和原子尺寸判据来预测了Alx(CuMgSi-T)1-x五元高熵合金的成分范围。计算结果表明，Alx(CuMgSi-T)1-x(T=Ag, As, Au, Cd, Co, Cr, Fe, Ga, Ge, Hf, Hg, In, Ir, Li, Mn, Mo, Nb, Ni, Os, Pd, Pt, Re, Rh, Ru, Sb, Sc, Sn, Ta, Tc, Ti, V, W, Zn, Zr)五元体系合金混合焓和原子尺寸方均差δ参数满足相关判据，易于形成五元高熵合金。采用混合焓和δ参数判据可以预测高熵合金的成分，为高熵合金设计提供较为精确的热力学数据。
关键字: Miedema理论；几何模型；高熵合金；混合焓；原子尺寸；方均差
（1. School of Mathematics and Information Science, Guangxi College of Education, Nanning 530023, China;
2. College of Physical Science and Technology, Guangxi University, Nanning 530004, China;
3. Institute for Intelligent computing and simulation Research, Guangxi College of Education, Nanning 530023, China）
Abstract:High entropy alloys (HEAs) have attracted attentions due to their high hardness, high strength, good wear resistance and corrosion resistance. HEAs generally have at least five principle elements, and the entropy of mixing can be increased by the addition of elements. The solid-solution phase is formed in HEAs with a simple lattice structure. The mixing enthalpies for multi-component alloys can be calculated by Miedema’s theory and geometrical model, and the mixing enthalpy is important for the solid-solution forming. The mixing enthalpies of solid-solution for Alx(CuMgSi-T)1-x (T=Ag, As, Au, B, Ba, Be, Bi, C, Ca, Cd, Co, Cr, Cs, Fe, Ga, Ge, Hf, Hg, In, Ir, K, La, Li, Mn, Mo, N, Na, Nb, Ni, Os, P, Pb, Pd, Pt, Rb, Re, Rh, Ru, Sb, Sc, Sn, Sr, Ta, Tc, Ti, Tl, V, W, Y, Zn, Zr) quinary alloys have been calculated by Miedema’s theory and the extend geometric model, and the forming composition ranges of Alx(CuMgSi-T)1-x system have been predicted according to the criteria of the mixing entropy and the atomic size differences. The calculated enthalpy of mixing indicates that some compositions for Alx(CuMgSi-T)1-x systems are easy to form HEAs. The method of predicting the composition forming ranges for HEAs by the criteria of the mixing enthalpy and parameter δ is simple, the predicted mixing enthalpies could be benefit to the investigations of composition design for HEAs.
Key words: Miedema’s theory; geometrical model; high entropy alloy; mixing enthalpy; atomic size; square deviation
