Physical and chemical aspects of the study of clusters, nanostructures and nanomaterials
Founded at 2009

The analysis of the thermal stability of Cu@Si nanoparticles

I.V. Chepkasov

DOI: 10.26456/pcascnn/2016.8.387

Original article

Abstract: In the work using molecular dynamics simulations, the parameters of the thermal stability of the composite nanoparticles Cu@Si of different size and structure were calculated. It was found that the thermal point of abrupt change in potential energy of the investigated particles. The relationship of these changes with the violation of the nanocomposite structure is discussed. It was concluded that with increasing the temperature the diffusion of copper atoms to the surface results in a reversal of the particle structure.

Keywords: nanoparticles, core-shell, MEAM- potential, thermal stability

  • I.V. Chepkasov

Reference:

Chepkasov, I.V. The analysis of the thermal stability of Cu@Si nanoparticles / I.V. Chepkasov // Physical and chemical aspects of the study of clusters, nanostructures and nanomaterials. — 2016. — I. 8. — P. 387-392. DOI: 10.26456/pcascnn/2016.8.387. (In Russian).

Full article (in Russian): download PDF file

Content |