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 language | English |
|---|---|
| Pages (from-to) | 187-198 |
| Number of pages | 12 |
| Journal | Journal of Non-Crystalline Solids |
| Volume | 221 |
| Issue number | 2-3 |
| Publication status | Published - Dec 1997 |
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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 journal › Article
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TY - JOUR
T1 - Silver clustering in sodium silicate glasses
T2 - A molecular dynamics study
AU - Timpel, Dirk
AU - Scheerschmidt, Kurt
AU - Garofalini, Stephen H.
PY - 1997/12
Y1 - 1997/12
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=0031339010&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0031339010&partnerID=8YFLogxK
M3 - Article
VL - 221
SP - 187
EP - 198
JO - Journal of Non-Crystalline Solids
JF - Journal of Non-Crystalline Solids
SN - 0022-3093
IS - 2-3
ER -