Abstract High entropy alloys (HEAs) are potential next-generation structural materials, yet accurate prediction of phase stability remains a challenge. We study two equimolar refractory high entropy alloys, NbMoTaTi–X (X = W, V). Ab initio calculations are performed to determine the vacancy exchange potential in both alloys. Results and experimental confirmation indicate that a zero/low vacancy exchange potential predicts phase instability in NbMoTaTiW, while elemental trends of the same predict segregation in single phase NbMoTaTiV. If these results hold true across other systems, vacancy exchange potential can serve as a rapid predictor of stability in the vast HEA compositional space.

中文翻译：

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用空位交换势预测 NbMoTaTi-(W,V) 高熵合金体系中的单相稳定性和偏析

摘要 高熵合金 (HEAs) 是潜在的下一代结构材料，但准确预测相稳定性仍然是一个挑战。我们研究了两种等摩尔耐火高熵合金 NbMoTaTi-X (X = W, V)。执行从头算计算以确定两种合金中的空位交换电势。结果和实验证实表明，零/低空位交换电势预测 NbMoTaTiW 中的相不稳定性，而相同的元素趋势预测单相 NbMoTaTiV 中的偏析。如果这些结果适用于其他系统，空位交换潜力可以作为巨大 HEA 组成空间稳定性的快速预测指标。