(1. 廣西教育學院 數(shù)學與信息科學學院，南寧 530023；
2. 廣西大學 物理科學與工程技術(shù)學院，南寧 530004；
3. 廣西教育學院 智能計算及模擬研究所，南寧 530023)
摘 要: 高熵合金具有高硬度、高強度、良好的耐磨性以及耐腐蝕性等優(yōu)異性能。高熵合金一般由5種或5種以上金屬元素組成，不同金屬元素可以提高合金內(nèi)部混亂程度，形成具有簡單晶格結(jié)構(gòu)的固溶體相。Miedema理論和幾何擴展模型可以計算多組元合金固溶狀態(tài)的混合焓，而混合焓對高熵合金的固溶相的形成有重要影響。本文利用擴展Miedema理論計算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)五元合金體系固溶狀態(tài)的混合焓，用已有高熵合金混合焓和原子尺寸判據(jù)來預(yù)測了Alx(CuMgSi-T)1-x五元高熵合金的成分范圍。計算結(jié)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)五元體系合金混合焓和原子尺寸方均差δ參數(shù)滿足相關(guān)判據(jù)，易于形成五元高熵合金。采用混合焓和δ參數(shù)判據(jù)可以預(yù)測高熵合金的成分，為高熵合金設(shè)計提供較為精確的熱力學數(shù)據(jù)。
關(guān)鍵字: Miedema理論；幾何模型；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
