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DY: Fachverband Dynamik und Statistische Physik
DY 26: Poster II
DY 26.7: Poster
Donnerstag, 26. März 2009, 16:00–18:00, P1A
molecular dynamics simulation of heterogeneous nucleation in Lennard-Jones colloidal system — •Hamed Maleki1, Nadya Gribova2, Tanja Schilling1, and Christian Holm2,3 — 1institut für Physik, Johannes Gutenberg-Universität, Staudinger Weg 7, D-55099 Mainz, Germany — 2Frankfurt Institute for Advanced Studies, Goethe-University, Ruth-Moufang-Str.1, D-60438 Frankfurt am Main, Germany — 3Max Planck Institute for Polymer Research, Ackermannweg 10, D-55128 Mainz, Germany
Nucleation is an activated process. Therefore it is a rare event. Rare events cannot be sampled with standard MC or MD. Classical Nucleatin Theory (CNT), covers and discribes homogeneous nucleation process in three dimensions, while heterogeneous nucleation is not understood yet. We present a molecular dynamics study of the liquid to solid transition in a Lennard Jones system confined to a slit pore. This study serves as a basis for a study of heterogeneous nucleation by Forward Flux Sampling. We find strong layering of the liquid close to the wall on approach of the transition. Within the layers six-fold bond order develops, however, we do not observe a KTHNY-transition. Instead there is sufficient interaction between the layers such that crystal nucleation still proceeds in a "3d manner".