Differences in surface behavior of alkali ions in Li/sub 2/O-3SiO/sub 2/ and Na/sub 2/O-3SiO/sub 2/ glasses

Journal Article · Mon Jul 01 04:00:00 EDT 1985 · J. Am. Ceram. Soc.; (United States)

DOI:https://doi.org/10.1111/j.1151-2916.1985.tb10146.x· OSTI ID:6467101

Garofalini, S H; Levine, S M

The molecular dynamics computer simulation technique was used to determine the short-time dynamics behavior and resultant structures of ions at the surface of Li/sub 2/O-3SiO/sub 2/ and Na/sub 2/O-3SiO/sub 2/ glasses. Room temperature and elevated temperatures were used. Results are compared with similar studies of the K/sub 2/O-3SiO/sub 2/ glass surface and with recent experimental ion-scattering-spectroscopy data. The simulations indicate that a localized surface rearrangement occurs within picoseconds after formation of the free surface, creating a surface excess of alkali in the Na (and K) case, but not in the Li case. Elevated temperatures, even for brief times, enhance the observed surface excess of Na and K. The results correspond to those obtained from the ion-scattering-spectroscopy studies.

• Research Organization: Department of Ceramics, Rutgers University, Piscataway, New Jersey
• OSTI ID: 6467101
• Journal Information: J. Am. Ceram. Soc.; (United States), Journal Name: J. Am. Ceram. Soc.; (United States) Vol. 68:7; ISSN JACTA
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360204* -- Ceramics
Cermets
& Refractories-- Physical Properties
ALKALI METAL COMPOUNDS
CHALCOGENIDES
CHEMICAL COMPOSITION
COMPUTERIZED SIMULATION
GLASS
ION SPECTROSCOPY
LITHIUM COMPOUNDS
LITHIUM OXIDES
OXIDES
OXYGEN COMPOUNDS
SILICON COMPOUNDS
SILICON OXIDES
SIMULATION
SODIUM COMPOUNDS
SODIUM OXIDES
SPECTROSCOPY
SURFACE PROPERTIES
TEMPERATURE EFFECTS