Modeling of Deformation and Destruction Processes of Al/Cu Nanocomposites

The aim of this work is to carry out molecular dynamics simulation the uniaxial stretching a cooled Al/Cu composition. LAMMPS software package has been used for calculations, which includes classic code with an emphasis on modeling materials. Ovito program visualization, large number functions, so that user can thoroughly investigate results obtained. When describing interatomic interaction in nanocomposite, we potential embedded EAM atom. choice due fact it adequately describes and reproduces properties wide class materials, including metals, semiconductors alloys. carried two stages. At first stage, sample consisting crystallites aluminum copper form parallelepipeds, connected along one joint boundaries, was placed computational domain at constant pressure. Cooling stabilize nanosystem. second corresponding deformation, temperature pressure were changed accordance ongoing physical processes. algorithm thermostat Nose – Hoover barostat control initial stage cooling. paper demonstrates nature distribution longitudinal stresses over entire volume crystal process stretching. reached elastic limit, nucleation lattice defects their shifts rotations atoms planes observed. Areas plastic deformation origin have determined. maximum destruction material occurred interface. parameters composition (deformation, temperature, mechanical stress) dynamically investigated using simulation. Comparison characteristics carried. Under loading conditions, variety processes are implemented material, generation defects, damage, mixing.