Effects of crystal orientation on the tensile and shear deformation of nickel-silicon interfaces: A molecular dynamics simulation

► The deformation and fracture mechanisms of Si-Ni interfaces under tensile and shear loads were studied by MD simulations. ► A higher tensile strength is obtained for interface planes with higher density. ► Sliding of atomic planes occurs at planes with a high density that leads to a fluctuation in the stress-strain curve. ► Amorphization of the interface region was observed when sliding of low density planes was not easy to occur. ► The relationship between the interface strength and the planar density and the width of the disorder zone was demonstrated.