First principles study of the diffusional phenomena across the clean and Re-doped <italic>γ</italic>-Ni/<italic>γ</italic>’-Ni<sub>3</sub>Al interface of Ni-based single crystal superalloy

First principles study of the diffusional phenomena across the clean and Re-doped γ-Ni/γ’-Ni₃Al interface of Ni-based single crystal superalloy

Sun Min¹, Wang Chong-Yu^{1, 2, †,}

(a) Calculated values of Ni-vacancy formation energy adjacent to the diffusing atom , (b) diffusing migration energy E^M, and (c) activation energy Q varying with the number of the (002) γ/γ′ interface layer in the Re-doped γ/γ′ interface model.