Computer study of the physical properties of nanosize silicon structure

The change of physical properties of vitreous and amorphous silicon nanoparticles containing 300, 400, and 500 atoms is investigated under their heating from 300 up to 1700 K by the molecular dynamics method. The binding energy and the mean Si-Si bond length are calculated and the the mean number of bonds per atom is determined. Thermal stresses result in changing the distribution of excess potential energy on concentric layers of nanoparticles. The presence of a liquid layer on the surface of nanoparticles in vicinity of the melting transition is observed. It is shown that vitreous Sin nanoparticles have a higher kinetic stability than the appropriate size amorphous particles