Entropies in Alloy Design for High-Entropy and Bulk Glassy Alloys
Entropies in Alloy Design for High-Entropy and Bulk Glassy Alloys
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DOI：
10.3390/e15093810
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发表时间：
2013-09-01
期刊：
影响因子：
2.7
通讯作者：
Makino, Akihiro
中科院分区：
文献类型：
--
作者：
Takeuchi, Akira;Amiya, Kenji;Makino, Akihiro
借助三元非晶合金数据库对高熵（H - E）合金、块体金属玻璃（BMGs）以及高熵块体金属玻璃（HE - BMGs）进行了统计分析。计算了与混合热和原子尺寸差异相对应的热力学量，将其作为多组元合金成分的函数。实际计算了用于定义高熵合金的构型熵（S - config.）以及用玻尔兹曼常数（k(B)）归一化的错配熵（S - sigma），同时还基于米德马经验模型计算了混合焓（ΔH - mix）以及作为与S - sigma/k(B)相对应参数的Δ参数（δ）。三元非晶合金的ΔH - mix - δ图和ΔH - mix - √(S - sigma/k(B))图之间的比较表明S - sigma/k(B)近似于(δ/22)²。在ΔH - mix - δ图中绘制无序固溶体高熵合金、有序合金和块体金属玻璃的S区、S′区和B′区与ΔH - mix - S - sigma/k(B)图中的区域相关联。这些结果为高熵合金、块体金属玻璃和高熵块体金属玻璃之间提供了相互理解。
High-entropy (H-E) alloys, bulk metallic glasses (BMGs) and high-entropy BMGs (HE-BMGs) were statistically analyzed with the help of a database of ternary amorphous alloys. Thermodynamic quantities corresponding to heat of mixing and atomic size differences were calculated as a function of composition of the multicomponent alloys. Actual calculations were performed for configurational entropy (S-config.) in defining the H-E alloys and mismatch entropy (S-sigma) normalized with Boltzmann constant (k(B)), together with mixing enthalpy (Delta H-mix) based on Miedema's empirical model and Delta parameter (delta) as a corresponding parameter to S-sigma/k(B). The comparison between Delta H-mix-delta and Delta H-mix-root S-sigma/k(B) diagrams for the ternary amorphous alloys revealed S-sigma/k(B) similar to (delta/22)(2). The zones S, S' and B's where H-E alloys with disordered solid solutions, ordered alloys and BMGs are plotted in the Delta H-mix-delta diagram are correlated with the areas in the Delta H-mix - S-sigma/k(B) diagram. The results provide mutual understandings among H-E alloys, BMGs and HE-BMGs.