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

Stephen H. Garofalini

doi:10.1117/12.22425

1 December 1990 Simulations of glass surfaces structure, water adsorption, and bond rupture

Stephen H. Garofalini

Proceedings Volume 1324, Modeling of Optical Thin Films II; (1990) https://doi.org/10.1117/12.22425
Event: 34th Annual International Technical Symposium on Optical and Optoelectronic Applied Science and Engineering, 1990, San Diego, CA, United States

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.

Citation Download Citation

Stephen H. Garofalini "Simulations of glass surfaces structure, water adsorption, and bond rupture", Proc. SPIE 1324, Modeling of Optical Thin Films II, (1 December 1990); https://doi.org/10.1117/12.22425

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