The origin of negative stacking fault energies and nano-twin formation in face-centered cubic high entropy alloys
The origin of negative stacking fault energies and nano-twin formation in face-centered cubic high entropy alloys
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DOI：
10.1016/j.scriptamat.2016.11.014
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发表时间：
2017-03
影响因子：
6
通讯作者：
Yanhui Zhang;Zhuang Yu;A. Hu;J. Kai;C. Liu
中科院分区：
文献类型：
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作者：
Yanhui Zhang;Zhuang Yu;A. Hu;J. Kai;C. Liu
近年来，高熵合金（HEAs）在低温下的优异力学性能引起了人们的广泛关注。本文通过第一性原理计算揭示了面心立方CrNiCo和FeCrNiCo合金的负层错能。我们发现负的超临界流体效应来源于FCC堆垛序列的热力学亚稳性，并受局部原子环境的影响，进而影响堆垛层错和纳米孪晶的形成。
The secrets behind the exceptional mechanical properties of high entropy alloys (HEAs) at cryogenic temperatures have drawn much attention in recent years. In this work, the negative stacking fault energy of FCC CrNiCo and FeCrNiCo alloys are disclosed by first-principles calculations. We found that the negative SFEs originate from the thermodynamic metastability of FCC stacking sequence and heavily influenced by the local atomic environment, which in turn affects the formation of stacking faults and nano-twins.