Dresden 2014 – wissenschaftliches Programm

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DY: Fachverband Dynamik und Statistische Physik

DY 22: Statistical Physics (general)

DY 22.8: Vortrag

Mittwoch, 2. April 2014, 17:00–17:15, ZEU 160

Density functional theory for elongated polyhedra — •Matthieu Marechal and Klaus Mecke — Friedrich-Alexander-Universität Erlangen-Nürnberg

Due to recent advances in synthesis of nanoparticles and colloids, many-particle system of polyhedra are readily available for experiments. This has spurred a host of many-particle simulation studies on polyhedra. More recently, the lack of theoretical tools to study these system was amended by proposing a density functional theory (DFT) for polyhedra using the frame work of fundamental measure theory.

In this talk, the application of DFT to elongated polyhedra will be discussed. Recent advancements in the DFT of long rods allow us to consider nematic and smectic liquid crystals in addition to the isotropic phase. We will first consider these phases for triangular prisms that are elongated along their rotation axis. We validate the DFT approach by comparing to Monte Carlo computer simulations and we calculate the liquid crystal phase diagram.

Colloidal prisms with arbitrarily shaped bases have been synthesized using nanolithography; our DFT approach allows to explore the enormous ensuing shape parameter space. We focus on smectic phases and determine which shapes show a global tilt between the particle direction and the layer normal (‘smectic C’) or a splitting of the layer into two layers (bilayer smectic). We hope our results motivate further experiments on colloidal smectics.