Berlin 2005 – wissenschaftliches Programm
Bereiche | Tage | Auswahl | Suche | Downloads | Hilfe
DY: Dynamik und Statistische Physik
DY 34: Poster
DY 34.17: Poster
Montag, 7. März 2005, 15:30–18:00, Poster TU D
Identification of Ion Sites in Glasses — •Christian Müller1, Hartmut Grille1, Junko Habasaki2, and Philipp Maass1 — 1Institut für Physik, Technische Universität Ilmenau, Germany — 2Tokyo Institute of Technology, Japan
To understand the dynamics of ions in glasses from a microscopic viewpoint
it is necessary to identify and to characterise the available sites
for the mobile ions in the glassy network. Efforts in this direction have
been undertaken by means of molecular dynamic simulations. In these
simulations it has been counted how many
times a cell within the simulation box is visited by a mobile ion
within a given (large) time period [1].
Using this procedure ion sites as well as their occupation
probabilities are obtained. Here we focus on the
question if it is possible to identify these sites
on the basis of equilibrium configurations.
Therefore we analyze the ionic potential energy surface with
respect to the minima and their connectivity features.
[1] J. Habasaki and Y. Hiwatari, Phys. Rev. B 69, 144207 (2004)