Structural rearrangement in fcc metals under shear deformation. Molecular dynamics simulation

The features of fcc metals atomic lattice structural reorganization under shift deformation are investigated. Mechanisms of deformation both for ideal crystalline and for a crystal containing various structural defects are analyzed. Investigations are carried out on the basis of computer simulations by mean of molecular dynamics method. It is shown that the beginning of structural reorganization of crystalline at plastic deformation is connected with atomic volume redistribution. In fcc lattice of metals it is possible to allocate local formations having hcp configuration and being some kind of precursor of irreversible structural changes in the atomic lattice. It was show also, that a nonuniform distribution of stress fields in the loaded crystal with structural defects may lead to the implementation of complex deformation mechanisms, including the formation of dynamic defects, which lifetimes are comparable with the Debye times. These theoretical studies can help to extend our knowledge about the materials with a crystalline structure behavior under dynamic loading.