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

Autor: Yumozhapova, Natalia V., Nomoev, Andrey V., Gafner, Yuri Ya.
Zdroj: Diffusion and Defect Data Part B: Solid State Phenomena; January 2018, Vol. 271 Issue: 1 p47-50, 4p
Abstrakt: 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.
Databáze: Supplemental Index