Modeling of CuAu nanoparticle formation during the gas phase synthesis
V.S. Baidyshev, V.А. Tsura, I.V. Chepkasov
N.F. Katanov Khakas State University
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.
Baidyshev, V.S. Modeling of CuAu nanoparticle formation during the gas phase synthesis / V.S. Baidyshev, V.А. Tsura, I.V. Chepkasov // Physical and chemical aspects of the study of clusters, nanostructures and nanomaterials: Interuniversity collection of proceedings / Ed. by V.M. Samsonov, N.Yu. Sdobnyakov. – Tver: TSU, 2017. – I. 9. – P. 64-70.
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