DIFFERENCES IN SURFACE BEHAVIOR OF ALKALI IONS IN Li//2O multiplied by (times) 3SiO//2 AND Na//2O multiplied by (times) 3SiO//2 GLASSES.

Steve Garofalini, S. M. Levine

Research output: Contribution to journalArticle

35 Citations (Scopus)

Abstract

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//2O multiplied by (times) 3SiO//2 and Na//2O multiplied by (times) 3SiO//2 glasses. Room temperature and elevated temperatures were used. 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.

Original languageEnglish
Pages (from-to)376-379
Number of pages4
JournalJournal of the American Ceramic Society
Volume68
Issue number7
Publication statusPublished - Jul 1985

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Alkalies
Ions
Temperature
Molecular dynamics
Glass
Computer simulation

ASJC Scopus subject areas

  • Ceramics and Composites

Cite this

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abstract = "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//2O multiplied by (times) 3SiO//2 and Na//2O multiplied by (times) 3SiO//2 glasses. Room temperature and elevated temperatures were used. 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.",
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