材料科学
高熵合金
堆积
叠加断层
层错能
芯(光纤)
纳米尺度
密度泛函理论
组态熵
原子单位
原子半径
热力学
纳米技术
冶金
微观结构
计算化学
位错
复合材料
物理
有机化学
化学
核磁共振
量子力学
作者
Yu‐Chia Yang,Cuixia Liu,Chun‐Yu Lin,Zhenhai Xia
标识
DOI:10.1016/j.scriptamat.2019.11.016
摘要
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.
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