AbstractStatistical analysis of the results of molecular dynamics (MD) calculation of gas-phase “self-assembling” of nanoclusters during metal vapor condensation revealed the laws of energy transfer between metallic clusters and inert gas atoms. A model is proposed to determine the parameters of heat exchange between clusters and the environment at the initial stage of condensation. This model is based on averaged MD data on the interaction between small clusters and argon atoms. The parameters that can be used to transfer information from MD to a macroscopic condensation model are numerically determined. The results obtained can be used to describe nucleation to predict a nanoparticle size distribution in the production of metallic powders.