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Accelerated exploration of multi-principal element alloys with solid solution phases

机译:加速探索具有固溶相的多主要元素合金

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摘要

Recent multi-principal element, high entropy alloy (HEA) development strategies vastly expand the number of candidate alloy systems, but also pose a new challenge—how to rapidly screen thousands of candidate alloy systems for targeted properties. Here we develop a new approach to rapidly assess structural metals by combining calculated phase diagrams with simple rules based on the phases present, their transformation temperatures and useful microstructures. We evaluate over 130,000 alloy systems, identifying promising compositions for more time-intensive experimental studies. We find the surprising result that solid solution alloys become less likely as the number of alloy elements increases. This contradicts the major premise of HEAs—that increased configurational entropy increases the stability of disordered solid solution phases. As the number of elements increases, the configurational entropy rises slowly while the probability of at least one pair of elements favouring formation of intermetallic compounds increases more rapidly, explaining this apparent contradiction.
机译:近期的多主元素高熵合金(HEA)开发策略极大地扩展了候选合金系统的数量,但同时也带来了新的挑战-如何快速筛选成千上万个候选合金系统的目标性能。在这里,我们开发了一种新方法,通过将计算出的相图与基于存在的相,其相变温度和有用的微结构的简单规则相结合,来快速评估结构金属。我们评估了130,000多种合金系统,确定了有前途的成分用于更耗时的实验研究。我们发现令人惊讶的结果是,随着合金元素数量的增加,固溶合金的可能性降低。这与HEA的主要前提相矛盾,HEA的主要构想是,增加的组态熵会增加无序固溶相的稳定性。随着元素数量的增加,结构熵缓慢增加,而至少一对元素有利于金属间化合物形成的可能性增加得更快,这解释了这种明显的矛盾。

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