Defect species in vitreous silica - a molecular dynamics simulation

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19 Citations (Scopus)


The properties of overcoordinated defect species in vitreous silica were analyzed using the molecular dynamics computer simulation technique. The defect species are 3-fold- oxygen and 5-fold silicon. Frequency spectra, SiOSi bond angle distribution, and SiO bond lengths are presented for normally coordinated species and for defect species. Results indicate the presence of the C3 + defect in vitreous silica. Also, a compression of the SiOSi bond angle and an expansion in the SiO bond length occur for the C3 + oxygen defect.

Original languageEnglish
Pages (from-to)337-345
Number of pages9
JournalJournal of Non-Crystalline Solids
Issue number3
Publication statusPublished - 1984

ASJC Scopus subject areas

  • Ceramics and Composites
  • Electronic, Optical and Magnetic Materials
  • Engineering(all)

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