Computer Modeling of the Formation Process of Core-Shell Nanoparticles Cu@Si

Publisher: Trans Tech Publications

E-ISSN: 1662-9779|2018|271|47-50

ISSN: 1012-0394

Source: Solid State Phenomena, Vol.2018, Iss.271, 2018-02, pp. : 47-50

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Abstract

The process of nanoparticle Cu@Si formation by the molecular dynamic method using MEAM-potentials was studied. Modeling the droplet behavior demonstrates that a core-shell structure with a copper core and a silicon shell can be formed if the drop is in the liquid state, until the material is finally redistributed. The parameters of thermal stability of Cu@Si composite nanoparticles of different sizes have been determined. It is concluded that as the temperature increases, the diffusion of copper atoms to the surface begins, which leads to a change in the structure and the formation of particles with a core of the Cu@Si type.