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Proceedings Paper

Simulations of glass surfaces-structure, water adsorption, and bond rupture
Author(s): Stephen H. Garofalini
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Paper 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.

Paper Details

Date Published: 1 December 1990
PDF: 7 pages
Proc. SPIE 1324, Modeling of Optical Thin Films II, (1 December 1990); doi: 10.1117/12.22425
Show Author Affiliations
Stephen H. Garofalini, Rutgers Univ. (United States)


Published in SPIE Proceedings Vol. 1324:
Modeling of Optical Thin Films II
Michael Ray Jacobson, Editor(s)

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