The effect of thermal treatment on the organization of copper and nickel nanoclusters synthesized from the gas phase

Abstract

The condensation of 85000 Cu or Ni atoms from the high-temperature gas phase has been simulated by molecular dynamics with the tight binding potential. The efect of the subsequent thermal treatment on the shape and structure of synthesized particles was studied by simulating their gradual heating in a range of 100–1200 K. Some tendencies are revealed that are characteristic of the influence of heat treatment on the nanoparticles synthesized from the gas phase. It is concluded that short-term heating leads to significant ordering of the internal structure in 70% of agglomerated nanoparticles with the predominant formation of spherical shapes. In order to explain this result, the main mechanisms of cluster formation from the gas phase have been analyzed and it is found that the agglomeration temperature plays the main role in the formation of clusters with unified shape and structure. This opens the fundamental possibility of obtaining Cu and Ni nanoclusters with preset size, shape, and structure and, hence, predictable physical properties.