Simulations of glass surfaces-structure, water adsorption, and bond rupture

Research output: Chapter in Book/Report/Conference proceedingConference contribution

5 Citations (Scopus)

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 languageEnglish
Title of host publicationProceedings of SPIE - The International Society for Optical Engineering
EditorsMichael R. Jacobson
PublisherPubl by Int Soc for Optical Engineering
Pages131-137
Number of pages7
Volume1324
Publication statusPublished - 1990
EventModeling of Optical Thin Films II - San Diego, CA, USA
Duration: Jul 12 1990Jul 13 1990

Other

OtherModeling of Optical Thin Films II
CitySan Diego, CA, USA
Period7/12/907/13/90

Fingerprint

Adsorption
Glass
adsorption
glass
silica glass
Fused silica
Water vapor
water
water vapor
Molecular dynamics
Water
simulation
Vacuum
molecular dynamics
vacuum
causes
rings
Computer simulation

ASJC Scopus subject areas

  • Electrical and Electronic Engineering
  • Condensed Matter Physics

Cite this

Garofalini, S. (1990). Simulations of glass surfaces-structure, water adsorption, and bond rupture. In M. R. Jacobson (Ed.), Proceedings of SPIE - The International Society for Optical Engineering (Vol. 1324, pp. 131-137). Publ by Int Soc for Optical Engineering.

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 proceedingConference contribution

Garofalini, S 1990, Simulations of glass surfaces-structure, water adsorption, and bond rupture. in MR Jacobson (ed.), Proceedings of SPIE - The International Society for Optical Engineering. vol. 1324, Publ by Int Soc for Optical Engineering, pp. 131-137, Modeling of Optical Thin Films II, San Diego, CA, USA, 7/12/90.
Garofalini S. Simulations of glass surfaces-structure, water adsorption, and bond rupture. In Jacobson MR, editor, Proceedings of SPIE - The International Society for Optical Engineering. Vol. 1324. Publ by Int Soc for Optical Engineering. 1990. p. 131-137
Garofalini, Steve. / Simulations of glass surfaces-structure, water adsorption, and bond rupture. Proceedings of SPIE - The International Society for Optical Engineering. editor / Michael R. Jacobson. Vol. 1324 Publ by Int Soc for Optical Engineering, 1990. pp. 131-137
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