Microstructural evaluation of simulated sodium silicate glasses

H. Melman, Steve Garofalini

Research output: Contribution to journalArticle

61 Citations (Scopus)

Abstract

A molecular dynamics study of sodium trisilicate and sodium disilicate glasses has been performed in order to evaluate structural details of these systems. The total potential energy is a function of both two-body and three-body interactions in order to account for the partially covalent nature of silica bonding. The simulations reproduce the bulk structural features observed in XRD and EXAFS experiments. The simulations show that the connectivity of the silica network, as in the classical picture, although the distribution of non-bridging oxygen is not as uniform as generally assumed. This feature is supported byu recent NMR studies in which Q-species indicate a significant degree of disorder in the arrangement of non-bridging oxygen. Channels are observed in the simulated glasses at both compositions and are associated with lower order Qn species.

Original languageEnglish
Pages (from-to)107-115
Number of pages9
JournalJournal of Non-Crystalline Solids
Volume134
Issue number1-2
DOIs
Publication statusPublished - 1991

Fingerprint

sodium silicates
Silicon Dioxide
Silicates
Sodium
Silica
sodium
Oxygen
silicon dioxide
Glass
evaluation
glass
oxygen
Potential energy
Molecular dynamics
simulation
potential energy
Nuclear magnetic resonance
disorders
molecular dynamics
nuclear magnetic resonance

ASJC Scopus subject areas

  • Ceramics and Composites
  • Electronic, Optical and Magnetic Materials

Cite this

Microstructural evaluation of simulated sodium silicate glasses. / Melman, H.; Garofalini, Steve.

In: Journal of Non-Crystalline Solids, Vol. 134, No. 1-2, 1991, p. 107-115.

Research output: Contribution to journalArticle

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