V.S. Myasnichenko, M.D. Starostenkov
Dependence of the Cu-Au Nanocluster Form and Structure on Cooling Rate with Various Concentrations of Components
The structure of two-component CunAu144-n nanoclusters of various compositions and 145-atom copper and gold clusters has been studied by molecular dynamics method. The adding of 145th atom leads to the formation of more ordered structure. The findings show distribution of gold and copper atoms in clusters, as well as portion and distribution of atoms with packages corresponding to FCC, HCP, icosahedral, and decahedral phase. The summary table presents content of such ordered phases in clusters of various compositions after rapid cooling.
Key words: molecular dynamics, nanocluster, structure, symmetry, streamlining, copper, gold, interaction, potential.