MONTECARLO CALCULATIONS OF IONIC STRUCTURE IN SILICATE AND ALUMINO-SILICATE MELTS

Results on structures of molten silicates and alumino-silicates calculated with the Montecarlo method are reported. The structure of the ions is in agreement with Masson's hypotheses; in fact ions of the type SinO (3n+1 (2n+2) with chains even 30 + 35 atoms long have been found. The spatial configurations of the polymer ions are dependent on the vacancy-silicon interaction energy and therefore on the nature of the cation. The linear chain configuration is more frequent as the interaction energy becomes stronger. © 1979 American Society for Metals and the Metallurgical Society of Aime.