Abstract
Molecular dynamics simulations of the structure of silica glass surfaces formed in a perfect vacuum as well as in the presence of a water vapor show the type, location, and concentration of specific features formed in the surface. A bond rupture mechanism which causes silanol formation far removed from the original reaction site is observed. The 3-membered ring is proposed as a site for H adsorption in the glass.
| Original language | English |
|---|---|
| Title of host publication | Proceedings of SPIE - The International Society for Optical Engineering |
| Editors | Michael R. Jacobson |
| Publisher | Publ by Int Soc for Optical Engineering |
| Pages | 131-137 |
| Number of pages | 7 |
| Volume | 1324 |
| Publication status | Published - 1990 |
| Event | Modeling of Optical Thin Films II - San Diego, CA, USA Duration: Jul 12 1990 → Jul 13 1990 |
Other
| Other | Modeling of Optical Thin Films II |
|---|---|
| City | San Diego, CA, USA |
| Period | 7/12/90 → 7/13/90 |
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ASJC Scopus subject areas
- Electrical and Electronic Engineering
- Condensed Matter Physics
Cite this
Simulations of glass surfaces-structure, water adsorption, and bond rupture. / Garofalini, Steve.
Proceedings of SPIE - The International Society for Optical Engineering. ed. / Michael R. Jacobson. Vol. 1324 Publ by Int Soc for Optical Engineering, 1990. p. 131-137.Research output: Chapter in Book/Report/Conference proceeding › Conference contribution
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TY - GEN
T1 - Simulations of glass surfaces-structure, water adsorption, and bond rupture
AU - Garofalini, Steve
PY - 1990
Y1 - 1990
N2 - Molecular dynamics simulations of the structure of silica glass surfaces formed in a perfect vacuum as well as in the presence of a water vapor show the type, location, and concentration of specific features formed in the surface. A bond rupture mechanism which causes silanol formation far removed from the original reaction site is observed. The 3-membered ring is proposed as a site for H adsorption in the glass.
AB - Molecular dynamics simulations of the structure of silica glass surfaces formed in a perfect vacuum as well as in the presence of a water vapor show the type, location, and concentration of specific features formed in the surface. A bond rupture mechanism which causes silanol formation far removed from the original reaction site is observed. The 3-membered ring is proposed as a site for H adsorption in the glass.
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UR - http://www.scopus.com/inward/citedby.url?scp=0025530699&partnerID=8YFLogxK
M3 - Conference contribution
VL - 1324
SP - 131
EP - 137
BT - Proceedings of SPIE - The International Society for Optical Engineering
A2 - Jacobson, Michael R.
PB - Publ by Int Soc for Optical Engineering
ER -