Molecular dynamics simulations of the preparation and deformation of nanocrystalline copper

The molecular dynamics method is used here to simulate: (1) the preparation of full-density nanostructured copper by compacting copper nanoparticles and (2) the deformation behaviors of the nanostructured copper under compression. It is found that the packing arrangement, the size of the nanoparticles and the compaction temperature, affect the deformation behaviors of the nanostructured copper. Our simulation results also show that the synergy of the rotation and mass shedding of grains and the thickening and sliding of grain boundaries, prevents the formation of voids and cracks in the nanostructured copper under compression.