Анализ термического профиля при моделировании начального этапа синтеза из газовой фазы наночастиц Cu-Au

The production of particles from the gas phase is one main physical methods for synthesis nanostructured materials, obvious advantages which include good control target composition resulting nanomaterial. However, determination clear dependences between initial parameters experimental setups and size nanoparticles not an easy task, requiring a detailed study processes formation, growth, agglomeration nanoclusters. Another problem that metal identical chemical can be in different structural states or have levels defects. underlying formation structure such are also completely clear, especially at very stage moment decomposition precursors to primary stable nuclei. Therefore, presented work, molecular dynamics method was used simulate process Cu-Au nanoclusters various compositions high-temperature phase. Based on data obtained, conclusions were drawn about stages evolution model system. It shown consists five stages, gradually leading spherical CuAu binary alloy with extrusion gold atoms surface.