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DY: Fachverband Dynamik und Statistische Physik

DY 10: Posters I

DY 10.20: Poster

Montag, 14. März 2011, 17:00–19:00, P4

Calculation of the diffusion coefficient of disordered systems by using the building block principle — •Arzu Bahar Yener and Stefanie Russ — Freie Universitaet Berlin

The self-diffusion coefficient D_s for linear diffusion on lattices and in pores in the Knudsen regime is calculated by the method of random walks for disordered systems, where the mean square displacement ⟨ x(t)⟩ consists of the quadratic term and the correlation term. To this end, a building-block principle is applied that composes the system into substructures i (”building blocks”) without cross correlations between them. We present different substructures for lattices whose correlation terms are calculated either analytically or numerically as simply as possible. For the latter, methods are revealed that allow to obtain the correlation terms of each substructure numerically with low costs. Finally, we show, how the correlation terms of the different substructures must be combined to find D_s of the total lattice. The results are verified numerically for lattices as well as for realistic pores.