Molecular dynamics modelling of the formation of copper and silicon composite nanostructures was carried out by using the many-particle potential method. The dependences of the internal structure on the cooling rate and the ratio of elements were investigated. The possibility of the formation of the Cu-Si nanoparticles from both a homogeneous alloy and two initial drops at short distance were shown. A comparative analysis showed that the diameter distribution of copper and silicon atoms in experimental particles coincides with the simulation results with silicon content of 50 atom %. Additionally, an estimation of the effective experimental cooling rate was made.
Keywords: composite nanoparticle; gas-phase synthesis; molecular dynamics modelling.
Copyright © 2019, Yumozhapova et al.; licensee Beilstein-Institut.