Molecular dynamics simulations of alumina containing silicate glasses have been performed in order to determine the influence of that ion on the final properties of the glasses. In particular, short- and mid-range structures were analyzed in terms of the distribution of non bridging oxygen, bridging oxygen, three bridging oxygen species in the glasses, along with the coordination number distribution (cn) and qn species distribution. The results support the hypothesis that the observed changes in the property of the glasses could be directly related to the coordination preferences of the Al ion.
Molecular dynamics simulations of alumina addition in sodium silicate glasses / Montorsi, Monia; Menziani, Maria Cristina; Leonelli, Cristina; Pellacani, Gian Carlo; A. N., Cormack. - In: MOLECULAR SIMULATION. - ISSN 0892-7022. - STAMPA. - 24:1-3(2000), pp. 157-165. [10.1080/08927020008024193]
Molecular dynamics simulations of alumina addition in sodium silicate glasses
MONTORSI, Monia;MENZIANI, Maria Cristina;LEONELLI, Cristina;PELLACANI, Gian Carlo;
2000
Abstract
Molecular dynamics simulations of alumina containing silicate glasses have been performed in order to determine the influence of that ion on the final properties of the glasses. In particular, short- and mid-range structures were analyzed in terms of the distribution of non bridging oxygen, bridging oxygen, three bridging oxygen species in the glasses, along with the coordination number distribution (cn) and qn species distribution. The results support the hypothesis that the observed changes in the property of the glasses could be directly related to the coordination preferences of the Al ion.
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