Changes in the structural properties of sodium alumine-silicate glasses of general formula Na2O . xAl(2)O(3). (3-x)SiO2 were investigated as a function of Al2O3 concentration. The experimental evidences provided by density, elastic modulus, glass chemical resistance measures, Si-29 and Al-27 MAS NMR investigations were complemented by molecular dynamics simulations. While neither of the experimental techniques or computational investigation utilized in this study were able to furnish unequivocable responses for the rationalization of the measured properties of sodium alumine-silicate glasses, the synergistic application of experimental and computational techniques showed that the anomalies observed in bulk properties like density and elastic modulus find their origin in medium-range structural features.
Influence of small additions of Al2O3 on the properties of the Na2O center dot 3SiO(2) glass / Leonelli, Cristina; Lusvardi, Gigliola; Montorsi, Monia; Menziani, Maria Cristina; Menabue, Ledi; P., Mustarelli; L., Linati. - In: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL. - ISSN 1520-6106. - ELETTRONICO. - 105:5(2001), pp. 919-927. [10.1021/jp0018908]
Influence of small additions of Al2O3 on the properties of the Na2O center dot 3SiO(2) glass
LEONELLI, Cristina;LUSVARDI, Gigliola;MONTORSI, Monia;MENZIANI, Maria Cristina;MENABUE, Ledi;
2001
Abstract
Changes in the structural properties of sodium alumine-silicate glasses of general formula Na2O . xAl(2)O(3). (3-x)SiO2 were investigated as a function of Al2O3 concentration. The experimental evidences provided by density, elastic modulus, glass chemical resistance measures, Si-29 and Al-27 MAS NMR investigations were complemented by molecular dynamics simulations. While neither of the experimental techniques or computational investigation utilized in this study were able to furnish unequivocable responses for the rationalization of the measured properties of sodium alumine-silicate glasses, the synergistic application of experimental and computational techniques showed that the anomalies observed in bulk properties like density and elastic modulus find their origin in medium-range structural features.File | Dimensione | Formato | |
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