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 language | English |
|---|---|
| Pages (from-to) | 337-345 |
| Number of pages | 9 |
| Journal | Journal of Non-Crystalline Solids |
| Volume | 63 |
| Issue number | 3 |
| DOIs | |
| Publication status | Published - 1984 |
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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 journal › Article
}
TY - JOUR
T1 - Defect species in vitreous silica - a molecular dynamics simulation
AU - Garofalini, Steve
PY - 1984
Y1 - 1984
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=0021386731&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0021386731&partnerID=8YFLogxK
U2 - 10.1016/0022-3093(84)90101-7
DO - 10.1016/0022-3093(84)90101-7
M3 - Article
VL - 63
SP - 337
EP - 345
JO - Journal of Non-Crystalline Solids
JF - Journal of Non-Crystalline Solids
SN - 0022-3093
IS - 3
ER -