Microstructure evolution and mechanical behavior of the Ni/Ni₃Al interface under thermal-mechanical coupling

Molecular dynamics (MD) simulations are used to understand the microstructure evolution and mechanical behavior of the Ni/Ni₃Al interface under thermal-mechanical coupling. The results indicate that the shapes of dislocation networks of the laminated model and the sandwich model are the symmetrical π-shaped and the symmetrical double-deck π-shaped respectively. We find that the rod dislocation only exists in the sandwich model. The critical shear stress of laminated model is larger than the sandwich model’s. The stress and potential energy of dislocation network are larger than other places in the Ni/Ni₃Al interface. Moreover, slip systems of the laminated model and the sandwich model are {111}(101), {11.1}(011), {1.11}(. 101) and {111}(0.11).