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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 39: Glasses and Glass Transition II (jointly with DY and DF)

CPP 39.2: Vortrag

Donnerstag, 25. März 2010, 10:00–10:15, H38

Correlation between the Diffusion Dynamics and Vibrational Modes of a Model Glass Former — •Oliver Rubner and Andreas Heuer — Institute of Physical Chemistry, University of Münster, Corrensstr. 30, D-48149 Münster, Germany.

In this work we investigate the vibrational modes from computer simulations on a 65 particle binary Lennard-Jones Mixture (BMLJ65) and compare them with the self diffusion dynamics of the particles. As a measure for the dynamics we use the propensities per particle as obtained from an isoconfigurational ensemble which has been introduced by Harrowell (PRL 93, 135701 (2004))

The diffusion dynamics can also be explained in terms of waiting times of the system in inherent structures or metabasins. We compare these waiting times to the vibrational frequencies of the corresponding inherent structures. From this analysis we present the time dependence of the vibrational frequencies which can give some insight into the underlying potential energy surface on which the motion of the system takes place.