Silver clustering in sodium silicate glasses: A molecular dynamics study

Dirk Timpel, Kurt Scheerschmidt, Stephen H. Garofalini

Research output: Contribution to journalArticlepeer-review

25 Citations (Scopus)


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
Issue number2-3
Publication statusPublished - Dec 1997

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Ceramics and Composites
  • Condensed Matter Physics
  • Materials Chemistry

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