Molecular dynamics simulation on notch sensitivity of nanocrystalline Cu

A molecular dynamics (MD) simulation was performed on the nanocrystalline (NC) Cu with an edge notch under tensile loadings, with focus on the notch sensitivity. With the increase of notch size, the dominant deformation of material changes from the shear strain, which spreads throughout the entire sample, to a single shear band, which is induced by the stress concentration at the notch root. At the same time, the samples move from notch-insensitivity to notch-sensitivity. These findings offer significant guidelines for the application of NC Cu in engineering.