Simultaneously enhancing the ultimate strength and ductility of high-entropy alloys via short-range ordering.
Simultaneously enhancing the ultimate strength and ductility of high-entropy alloys via short-range ordering.
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DOI：
10.1038/s41467-021-25264-5
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发表时间：
2021-08-16
影响因子：
16.6
通讯作者：
Zhang YW
中科院分区：
文献类型：
--
作者：
Chen S;Aitken ZH;Pattamatta S;Wu Z;Yu ZG;Srolovitz DJ;Liaw PK;Zhang YW
同时提高金属和合金的强度和塑性是一个巨大的挑战。在这里，我们研究了CoCuFeNiPd高熵合金（HEA），使用Monte Carlo方法，分子动力学模拟，密度泛函理论计算相结合。我们的研究结果表明，这种HEA是积极有利的进行短程有序（SRO），和SRO导致伪复合显微组织，这令人惊讶地提高了极限强度和塑性。SRO诱导的复合材料微观结构由三类团簇组成：面心择优（FCCP）团簇、中性团簇和体心择优（BCCP）团簇，其中中性团簇起基体作用，FCCP团簇起硬质填料作用以提高强度，而BCCP团簇起软填料作用以提高塑性。我们的工作突出了SRO在影响HEAs力学性能方面的重要性，并为设计HEAs以实现上级力学性能提供了一条迷人的路线。强度-塑性的平衡一直是合金发展的一个长期问题。在这里，作者提出了一种设计高熵合金的路线，通过结合蒙特卡罗，分子动力学和密度泛函理论模拟显示的短程有序来克服这种权衡。
Simultaneously enhancing strength and ductility of metals and alloys has been a tremendous challenge. Here, we investigate a CoCuFeNiPd high-entropy alloy (HEA), using a combination of Monte Carlo method, molecular dynamic simulation, and density-functional theory calculation. Our results show that this HEA is energetically favorable to undergo short-range ordering (SRO), and the SRO leads to a pseudo-composite microstructure, which surprisingly enhances both the ultimate strength and ductility. The SRO-induced composite microstructure consists of three categories of clusters: face-center-cubic-preferred (FCCP) clusters, indifferent clusters, and body-center-cubic-preferred (BCCP) clusters, with the indifferent clusters playing the role of the matrix, the FCCP clusters serving as hard fillers to enhance the strength, while the BCCP clusters acting as soft fillers to increase the ductility. Our work highlights the importance of SRO in influencing the mechanical properties of HEAs and presents a fascinating route for designing HEAs to achieve superior mechanical properties. The strength-ductility trade-off has been a long-standing problem for alloy development. Here the authors present a route for designing high-entropy alloys to overcome this trade-off via short-range ordering shown by combined Monte Carlo, molecular dynamic, and density-functional theory simulations.
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