Dresden 2009 – wissenschaftliches Programm

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 39: POSTERS Colloids and Liquids

CPP 39.23: Poster

Donnerstag, 26. März 2009, 17:00–19:30, P3

Flux Forward Sampling Study of Homogeneous Nucleation in Hard Spheres — •Dorota Niedzialek and Tanja Schilling — Johannes-Gutenberg University of Mainz, Germany

As nucleation is an activated process, its study requires special rare event simulation techniques. We applied Flux Forward Sampling to a simple model problem: crystallization of hard spheres. We present results on the morphology of the crystalline aggregates and an estimate of the nucleation rate. We compare our results to a phase field model and to previous simulations which were based on umbrella sampling, and hence required an preliminary guess of the reaction coordinate.