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CPP: Chemische Physik und Polymerphysik

CPP 32: Polymer dynamics

CPP 32.3: Vortrag

Mittwoch, 9. März 2005, 11:45–12:00, TU C130

Molecular Dynamics simulation of active particles and polymers with full hydrodynamics — •Thomas Ihle¹, Erkan Tuzel², Vasanthi Iyengar³, and Daniel Kroll¹ — ¹Department of Physics, North Dakota State University, Fargo, ND 58105, USA. — ²School of Physics and Astronomy, 116 Church Streeet SE, University of Minnesota, Minneapolis, MN 55414, USA — ³Institute for Computational Physics, Stuttgart University, 70565 Stuttgart

A recently introduced particle-based model for fluid flow, called Stochastic Rotation Dynamics, is a promising tool for the coarse-grained modeling of a fluctuating fluid, particularly for colloidal and polymer suspensions. SRD acts as a ”hydrodynamic heat bath”, the details of which are not fully resolved, but provides the correct hydrodynamic interactions between embedded objects. We explain the coupling between the fluid algorithm and the polymers which are treated by conventional Molecular Dynamics. The polymers can grow and shrink at both ends and can be connected by a class of proteins called molecular motors. Preliminary results for the observed patterns, orientational ordering, length distributions and drift of the chains will be presented.