Silver clustering in sodium silicate glasses: A molecular dynamics study

Dirk Timpel, Kurt Scheerschmidt, Stephen H. Garofalini

Research output: Contribution to journalArticle

24 Citations (Scopus)

Abstract

Molecular dynamics (MD) computer simulations with empirical potentials are applied to model the structure of sodium silicate glasses and the mobility of metallic particles enclosed. The particles are assumed to be generated by the Na-Ag ion-exchange, reducing the Ag ions and subsequent annealing. The theoretical investigations consider the modification of the glass structure owing to the ion exchange as well as the migration and clustering of the silver particles. Moreover, from the study of the migration processes we refine the empirical potentials applied to MD simulations and subsequent high resolution electron microscope (HREM) image calculations.

Original languageEnglish
Pages (from-to)187-198
Number of pages12
JournalJournal of Non-Crystalline Solids
Volume221
Issue number2-3
Publication statusPublished - Dec 1997

Fingerprint

sodium silicates
Silver
Silicates
Molecular dynamics
Ion exchange
silver
Sodium
molecular dynamics
Glass
glass
Computer simulation
ions
Electron microscopes
Annealing
Ions
electron microscopes
computerized simulation
annealing
high resolution
sodium silicate

ASJC Scopus subject areas

  • Ceramics and Composites
  • Electronic, Optical and Magnetic Materials

Cite this

Silver clustering in sodium silicate glasses : A molecular dynamics study. / Timpel, Dirk; Scheerschmidt, Kurt; Garofalini, Stephen H.

In: Journal of Non-Crystalline Solids, Vol. 221, No. 2-3, 12.1997, p. 187-198.

Research output: Contribution to journalArticle

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