Regensburg 2016 – wissenschaftliches Programm

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DY: Fachverband Dynamik und Statistische Physik

DY 13: Statistical Physics (general)

DY 13.9: Vortrag

Montag, 7. März 2016, 17:00–17:15, H48

Metadynamics for Nucleation studies in Potts-Models — •Ralf Schmid and Peter Nielaba — Universität Konstanz, Konstanz, Baden-Württemberg

Simulating nucleation processes in particle based systems can be time consuming due to large barriers in the free energy landscape. So new simulation techniques like Umbrella Sampling, Thermodynamic Integration and Metadynamics were invented for accelerating rare events. In molecular dynamics studies of nucleation the Metadynamics protocol was successfully used to accelerate the process and to calculate the free energy landscape in given reaction coordinates like cluster size.

We use the Metadynamics tool in Potts-Model systems to study nucleation and crystallization. The underlying dynamics of the system is a Metropolis Monte-Carlo simulation in the semi-grand canonical ensemble. The use of different reaction coordinates leads to insights into the basic processes that enable nucleation.