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

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.

• Periodical: Solid State Phenomena (Volume 271)
• Pages: 47-50
• DOI: https://doi.org/10.4028/www.scientific.net/SSP.271.47
• Online since: January 2018
• Authors: Natalia V. Yumozhapova, Andrey V. Nomoev*, Yuri Ya Gafner
• Keywords: Computer Simulation, Core-Shell Nanoparticles, Functional Materials, MEAM-Potentials, Molecular Dynamics, Thermal Stability

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