Defect species in vitreous silica - a molecular dynamics simulation

Research output: Contribution to journalArticle

19 Citations (Scopus)

Abstract

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
Volume63
Issue number3
DOIs
Publication statusPublished - 1984

Fingerprint

Fused silica
Molecular dynamics
molecular dynamics
silicon dioxide
Defects
defects
Computer simulation
Bond length
simulation
Oxygen
oxygen
Silicon
computerized simulation
expansion
silicon

ASJC Scopus subject areas

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

Cite this

Defect species in vitreous silica - a molecular dynamics simulation. / Garofalini, Steve.

In: Journal of Non-Crystalline Solids, Vol. 63, No. 3, 1984, p. 337-345.

Research output: Contribution to journalArticle

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