А. E. Korenchenko, B. R. Gel’chinskii, А. G. Vorontsov, A. A. Zhukova.
ABSTRACT
We performed a statistical analysis of the result of MD simulation of gas-phase “self-assembly” nanoclusters during condensation of metal vapor. We focused on the energy transfer between small clusters and argon atoms, which allowed us to determine the heat transfer parameters between clusters and the environment at the initial stage of condensation. А numerical model based on averaged molecular dynamics data is proposed. The model makes it possible to transfer information from molecular dynamics simulation to a macroscopic model of condensation. The results can be used in the multiscale simulation of nucleation to predict the size distribution of nanoparticles in their industrial production.
KEYWORDS:
simulation, condensation, metal clusters, exchange of energy
DOI: 10.31857/S0235010620020085