The general mechanisms of Cu cluster formation in the processes of condensation from the gas phase

Bulletin of materials science

S P Bardakhanov¹  Yu Ya Gafner²  S L Gafner²  I V Chepkasov² 

[1] Institute of Theoretical and Applied Mechanics, Novosibirsk 630090, Russia$$Institute of Theoretical and Applied Mechanics, Novosibirsk 630090, RussiaInstitute of Theoretical and Applied Mechanics, Novosibirsk 630090, Russia$$;Katanov Khakass State University, Abakan 655017, Russia$$Katanov Khakass State University, Abakan 655017, RussiaKatanov Khakass State University, Abakan 655017, Russia$$

关键词: Condensation;    computer simulations;    tight-binding potential;    copper;    nanoclusters;    diffusion.;   

DOI  :  

学科分类：材料工程

来源: Indian Academy of Sciences

【 摘 要 】

Technological applications of metallic clusters impose very strict requirements for particle size, shape, structure and defect density. Such geometrical characteristics of nanoparticles are mainly determined by the process of their growth. This work represents the basic mechanisms of cluster formation from the gas phase that has been studied on the example of copper. The process of Cu nanoclusters synthesis has been studied by the moleculardynamics method based on tight-binding potentials. It has been shown that depending on the size and temperature of the initial nanoclusters the process of nanoparticle formation can pass through different basic scenarios. The general conditions of different types of particles formation have been defined and clear dependence of the cluster shape from collision temperature of initial conglomerates has been shown. The simulation results demonstrate a very good agreement with the available experimental data. Thus, it has been shown that depending on the specific application of the synthesized particles or in electronics, where particles of a small size with a spherical shape are required, or in catalytic reactions, where the main factor of effectiveness is the maximum surface area with the help of temperature of the system it is possible to get the realization of a certain frequency of this or that scenario of the shape formation of nanocrystalline particles.

【 授权许可】

Unknown