TY - JOUR
T1 - Silver clustering in sodium silicate glasses
T2 - A molecular dynamics study
AU - Timpel, Dirk
AU - Scheerschmidt, Kurt
AU - Garofalini, Stephen H.
N1 - Funding Information:
We are grateful to the Deutsche Forschungsgemeinschaft for financial support.
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.
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U2 - 10.1016/S0022-3093(97)00333-5
DO - 10.1016/S0022-3093(97)00333-5
M3 - Article
AN - SCOPUS:0031339010
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 -