A. E. Korenchenko, A. G. Vorontsov, B. R. Gelchinski
ABSTRACT
We consider a way to transfer data from molecular dynamic simulation of metal vapor condensation to partial differential equations of continuous medium. To simulate condensation in mesoscale model we suppose that the chemical mixture changes with time according to series of reactions Me + Men = Men + 1 and reaction rates are depended on the internal energies of Men clusters. The dependences were obtained from statistical data of molecular dynamics simulations. The results of molecular dynamics method and developed numerical model show a good agreement.
KEYWORDS:
multiscale simulation, condensation, metal clusters
DOI: 10.1134/S0235010619010080