In this work, molecular dynamics (MD) method is applied to study the mechanical properties of Ag/Ni and Cu/Ni interface in two-dimensional models with atomic interactions represented by Lennard-Jones pair potentials. Because the investigated properties depend on the number of atoms in simulaton, and the run time and other resources are limited, we find the proper atom number of MD cell should be between 500-1000. Here, two types of boundary condition are used, one is rigid boundary, corresponding to three-point-bended inferface, the other is circular periodic condition, corresponding to circular-bended inferface. By using these boundary conditions, our MD calculations provide us a useful and consistent picture of the atomic scale processes which occur at Ag/Ni and Cu/Ni interfaces with different MD cell sizes, especially during bending interface processes. The results of our simulation are in good agreement with the macroscopic mechanical behavior, which verifies that the results of our work are correct to a large degree. We find that the properties of the interface are very different from that of single crystal, while the misfit of both lattices plays an important role in the interface properties of epitaxy bicrystal, and the interface structure greatly affects the properties of materials