Abstract High entropy materials, which include high entropy alloys, carbides, and borides, are a topic of substantial research interest due to the possibility of a large number of new material compositions that could fill gaps in application needs. There is a current need for materials exhibiting high temperature stability, particularly oxidation resistance. A systematic understanding of the oxidation behavior in high entropy materials is therefore required. Prior work notes large differences in the thermodynamic favorability between oxides formed upon oxidation of high entropy materials. This work uses both analytical and computational thermodynamic approaches to investigate and quantify the effects of this large variation and the resulting potential for preferential component oxidation in refractory high entropy materials including group IV-, V- and VI-element based alloys and ceramics. Thermodynamic calculations show that a large tendency towards preferential oxidation is expected in these materials, even for elements whose oxides exhibit a small difference in thermodynamic favorability. The effect is reduced in carbides, compared to their alloy counterparts. Further, preferential oxidation in high entropy refractory materials could result in possible destabilization of the solid solution or formation of other, competing phases, with corresponding changes in bulk material properties.

中文翻译：

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第一部分：耐火高熵材料优先氧化的理论预测

摘要 包括高熵合金、碳化物和硼化物在内的高熵材料是一个具有重要研究兴趣的课题，因为大量新材料组合物的可能性可以填补应用需求的空白。当前需要表现出高温稳定性，尤其是抗氧化性的材料。因此，需要系统地了解高熵材料的氧化行为。先前的工作指出，在高熵材料氧化时形成的氧化物之间的热力学有利性存在很大差异。这项工作使用分析和计算热力学方法来研究和量化这种大变化的影响以及由此产生的耐火高熵材料（包括 IV-、基于 V 和 VI 元素的合金和陶瓷。热力学计算表明，即使对于氧化物在热力学有利性方面表现出很小差异的元素，预计在这些材料中也会有较大的优先氧化趋势。与合金对应物相比，碳化物的影响降低。此外，高熵耐火材料中的优先氧化可能导致固溶体的不稳定或形成其他竞争相，从而导致大块材料特性的相应变化。与他们的合金同行相比。此外，高熵耐火材料中的优先氧化可能导致固溶体的不稳定或其他竞争相的形成，从而导致大块材料特性的相应变化。与他们的合金同行相比。此外，高熵耐火材料中的优先氧化可能导致固溶体的不稳定或形成其他竞争相，从而导致大块材料特性的相应变化。