中文摘要：

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(ΔEb 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 ΔEb 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 ΔEb sfmay be due to the expansion of local structure around the Re atom when SF goes through the Re atom.

英文摘要：

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-A1-Re embedded-atom-method potential. A parameter （△Ebsf）, the activation energy of SF nucleation under shear strain, is introduced to evaluate the effect of Re on SF nucleation under shear strain. Calcu- lation results show that △Ebsf decreases 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 △Ebsf may be due to the expansion of local structure around the Re atom when SF goes through the Re atom.