Modeling of CuAu nanoparticle formation during the gas phase synthesis

Abstract

In this work computer simulation of the cluster condensation from a high-temperature gas phase containing pairs of copper and gold atoms was carried out by the molecular dynamics method. The average growth rates of clusters and the stoichiometric composition of the emerging particles are determined. It is shown that for particles with diameter of 3 nm or more the molar composition tends to Cu0,75Au0,25.

Keywords

• computer simulation
• molecular dynamics
• condensation
• CuAu nanoalloy