Molecular-dynamics study of the initial stage of nanoscale deformation localization in the surface layers of a loaded solid

The nucleation and development of plastic deformation in the surface layers of a solid under dynamical loading conditions have been studied on a nanoscale level by computer simulation using molecular dynamics method. It is established that the onset of deformation localization is directly related to the loss of structural stability in the surface layers of a loaded solid, the appearance of surface local straining zones, and their spreading in the bulk of the material. This is preceded by uncorrelated atomic displacements in the near-surface region of the solid. The obtained results agree with the well-known experimental data and confirm the special role of the surface layers of solids in the onset and development of plastic deformation.