Core effect of local atomic configuration and design principles in AlxCoCrFeNi high-entropy alloys
Core effect of local atomic configuration and design principles in AlxCoCrFeNi high-entropy alloys
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DOI：
10.1016/j.scriptamat.2019.11.016
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发表时间：
2020-03-01
影响因子：
6
通讯作者：
Xia, Zhenhai
中科院分区：
文献类型：
--
作者：
Yang, Yu-Chia;Liu, Cuixia;Xia, Zhenhai
高熵合金（HEAs）具有四种核心效应，导致其性能优于传统合金。在本文中，我们调查了一个额外的核心效应，当地的原子配置，由于在纳米级的本地化学成分的固有变化。用密度泛函方法计算的AlxCoCrFeNi高电子能区的层错能和孪晶形成能，由于局域原子组态的影响，出现了较大的变化，甚至出现了负能量.一个设计原则，提出了预测的HEAs的机械性能。还确定了温度对层错能的影响，这与实验结果一致。(C)2019 Acta Materialia Inc.由爱思唯尔有限公司出版。保留所有权利。
High-entropy alloys (HEAs) are known to have four core effects leading to superior properties over traditional alloys. In this paper, we investigate an additional core effect, local atomic configuration, due to inherent variations of local chemical composition at the nanoscale. The stacking fault and twin formation energies of AlxCoCrFeNi HEAs, calculated with density functional theory methods, show large variations and even negative energies due ro the local atomic configurations. A design principle is proposed to predict the mechanical properties of the HEAs. The effect of temperature on stacking fault energy is also determined, which is consistent with experimental results. (C) 2019 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.