Computer simulation of the Cu@Si core-shell nanoparticles formation

Abstract

In this work computer simulation of the condensation processes of Cu-Si core-shell nanoparticles was performed by the molecular dynamics method. It was shown that simultaneous cooling of atomic vapors of copper and silicon leads to the formation of disordered CuSi alloy particles. A possible mechanism for the formation of nanoparticles (Cu – core, Si – shell) is associated with deposition of small silicon clusters onto a pre-formed copper core.

Keywords

• computer simulation
• molecular dynamics
• core-shell nanoparticles
• condensation