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Evolution of structure of spherical SiO2 nanoparticles upon cooling from themelt has been investigated via molecular-dynamics (MD) simulations undernon-periodic boundary conditions (NPBC). We use the pair interatomic potentialswhich have weak Coulomb interaction and Morse type short-range interaction. Thechange in structure of SiO2 nanoparticles upon cooling process has been studiedthrough the partial radial distribution functions (PRDFs), coordination numberand bond-angle distributions at different temperatures. The core and surfacestructures of nanoparticles have been studied in details. Our results showsignificant temperature dependence of structure of nanoparticles. Moreover,temperature dependence of concentration of structural defects in nanoparticlesupon cooling from the melt toward glassy state has been found and discussed.

Evolution of structure of SiO2 nanoparticles upon cooling from the melt