Computer Modeling of the Formation Process of Core-Shell Nanoparticles Cu@Si
| Autor: | Yuri Ya Gafner, A. V. Nomoev, N. V. Yumozhapova |
|---|---|
| Rok vydání: | 2018 |
| Předmět: |
010302 applied physics
Materials science 02 engineering and technology Core shell nanoparticles 021001 nanoscience & nanotechnology Condensed Matter Physics 01 natural sciences Atomic and Molecular Physics and Optics Molecular dynamics Chemical engineering Scientific method 0103 physical sciences General Materials Science Thermal stability 0210 nano-technology |
| Zdroj: | Solid State Phenomena. 271:47-50 |
| ISSN: | 1662-9779 |
| DOI: | 10.4028/www.scientific.net/ssp.271.47 |
| Popis: | 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: | OpenAIRE |
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