Montecarlo calculations of ionic structure in silicate and alumino-silicate melts
Tóm tắt
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
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.
Tài liệu tham khảo
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