Formation and structure of nickel nanoparticles produced from the gaseous phase: A molecular-dynamics simulation

The process of condensation of 8000 Ni atoms from a gaseous phase has been studied by the molecular-dynamics method using tight-binding potentials. The simulation performed has shown that in most cases the clusters produced in this way have an hcp or fcc structure or represent a combination of these structures. When the nanoparticles obtained are heated to above the melting point and then gradually cooled, a significant dependence of the process of cluster-structure formation on the cooling rate is noted. Thus, the use of either free condensation or condensation followed by heating of the nanoclusters to above the melting temperature and, then, cooling makes it possible, in principle, to control the formation of nanoparticles with a desired structure.