Effects of Anisotropy and In-Plane Grain Boundary in Cu/Pd Multilayered Films with Cube-on-Cube and Twinned Interface

Abstract In crystalline materials, grain boundary and anisotropy of crystal structure affect their mechanical properties. The effects of interfacial structure on the mechanical properties may be diverse when the multilayer film is loaded along different directions. In this work, we performed a series of molecular dynamics simulations of the tension of in-plane single and polycrystalline Cu/Pd multilayered films with cube-on-cube (COC) and twinned interfaces to explore the effects of the interfacial structure, loading direction and in-plane grain boundaries on their mechanical properties. The interfacial misfit dislocation lines become bent after relaxation, and the high temperature of 300 K was found as a necessary condition. When stretched along 〈110〉 direction, the strengthening effect of the COC interface is more noticeable; however, when stretched along 〈112〉 direction, the twin interface's strengthening effect is more visible, showing the anisotropic effect of interfacial structure on mechanical properties. However, in the in-plane honeycomb polycrystalline sample, the twin interface showed a pronounced strengthening effect, and no jogged dislocations were observed.