| Effect of Re on stacking fault nucleation under shear strain in Ni by atomistic simulation |
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| 作者姓名： | 刘争光 王崇愚 于涛 |
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| 作者单位： | Central Iron and Steel Research Institute;Department of Physics, North University of China;Department of Physics, Tsinghua University;International Centre for Materials Physics, Academia Sinica |
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| 摘 要： | The effect of Re on stacking fault(SF) nucleation under shear strain in Ni is investigated using the climbing image nudged elastic band method with a Ni–Al–Re embedded-atom-method potential. A parameter(?Eb sf), the activation energy of SF nucleation under shear strain, is introduced to evaluate the effect of Re on SF nucleation under shear strain. Calculation results show that ?Eb sfdecreases with Re addition, which means that SF nucleation under shear strain in Ni may be enhanced by Re. The atomic structure observation shows that the decrease of ?Eb sfmay be due to the expansion of local structure around the Re atom when SF goes through the Re atom.
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| 关 键 词： | nucleation stacking climbing hexagonal cubic Atomic decreasing saddle precipitate unchanged |
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