Abstract
Molecular dynamic (MD) simulations were performed for systems Na 2 O·SiO 2 and Na 2 O·2SiO 2 employing both Born-Mayer (BM) and Pauling pair potential functions (PPFs) with commonly used parametrizations. The influence of these PPFs on the structure of the simulated systems was observed. The main difference is represented by the presence of some silicon atoms coordinated by five oxygen atoms that gives rise to an additional small peak at about 110° in the SiOSi bond angle distribution in case of BM PPFs.
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