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

Research output: Contribution to journalConference articlepeer-review

5 Citations (Scopus)


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
Pages (from-to)131-137
Number of pages7
JournalProceedings of SPIE - The International Society for Optical Engineering
Publication statusPublished - Jan 1 1990
EventModeling of Optical Thin Films II - San Diego, CA, USA
Duration: Jul 12 1990Jul 13 1990

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics
  • Computer Science Applications
  • Applied Mathematics
  • Electrical and Electronic Engineering

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