Core structure and mobility of edge dislocations in face-centered-cubic chemically complex NiCoFe and NiCoFeCu equiatomic solid-solution alloys
Core structure and mobility of edge dislocations in face-centered-cubic chemically complex NiCoFe and NiCoFeCu equiatomic solid-solution alloys
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DOI：
10.1016/j.mtla.2020.100628
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发表时间：
2020-03-01
期刊：
影响因子：
3.4
通讯作者：
El-Awady, Jaafar A.
中科院分区：
文献类型：
--
作者：
Li, Wei;Rao, Satish, I;El-Awady, Jaafar A.
采用分子静力学和动力学方法，采用两种不同的嵌入原子法（EAM）对NiCoFe和NiCoFeCu等原子固溶体合金的弹性性能、核心结构、临界分解剪应力（crss）和1/2（110）边缘位错迁移率进行了预测。特别是，Johnshon-Zhou势与实验测量和观测结果吻合较好。计算得到两种合金的平均本征层错能分别为17和28 mJ/m(2)，无外应力时的平均层错宽度分别为70和51埃。两种合金在10、150和300 K时的crss分别在5060、40-50和30-40 MPa之间。这些结果与现有的实验测量和理论预测基本一致。本文提出的原子模拟可以用于预测和开发具有优异强度的面心立方化学复合合金，用于各种应用。
The elastic properties, core structures, critical resolved shear stresses (CRSSs), and mobility of 1/2(110) edge dislocations in NiCoFe and NiCoFeCu equiatomic solid-solution alloys was predicted using molecular statics and dynamics simulations using two different embedded atom method (EAM) potentials. In particular, the Johnshon-Zhou potential is in good agreement with experimental measurements and observations. The calculated average intrinsic stacking fault energies for both alloys were 17 and 28 mJ/m(2), and the mean stacking fault width in the absence of external stresses were 70 and 51 angstrom, respectively. The CRSSs for both alloys were between 5060, 40-50, and 30-40 MPa at 10, 150, and 300 K, respectively. These results are in reasonable agreement with available experimental measurements and theoretical predictions. The atomistic simulations presented here can be used to predict and develop face-centered cubic chemically complex alloys with superior strength for various applications.