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

Stephen H. Garofalini

doi:10.1117/12.22425

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

Stephen H. Garofalini

Rutgers University

Research output: Contribution to journal › Conference article › peer-review

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 language	English
Pages (from-to)	131-137
Number of pages	7
Journal	Proceedings of SPIE - The International Society for Optical Engineering
Volume	1324
DOIs	https://doi.org/10.1117/12.22425
Publication status	Published - Jan 1 1990
Event	Modeling of Optical Thin Films II - San Diego, CA, USA Duration: Jul 12 1990 → Jul 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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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.",

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