Berlin 2008 – wissenschaftliches Programm
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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 34: POSTERS Polymerphysics
CPP 34.7: Poster
Donnerstag, 28. Februar 2008, 17:00–19:30, Poster A
Self-assembly of liquid crystals induced by chemically patterned substrates — •Manuel Greschek and Martin Schoen — Stranski-Laboratorium für Physikalische und Theoretische Chemie Technische Universität Berlin, Strasse des 17.Juni 135, D-10623 Berlin
We present Monte Carlo simulations for ellipsoids of revolution interacting with chemically patterned planar walls. The simulations are performed in the grand-canonical and in the isostress-isostrain ensemble. In simulations with constant stress the volume of the simulation box may change in the direction of the wall normal. Two anchoring mechanisms are investigated, namely, homeotropic alignment (symmetry axis of the particle parallel to the wall normal) across a strip of width dwet, homogeneous planar alignment (symmetry axis is perpendicular to wall normal) outside this strip. The fluid particles interact via a shifted Lennard-Jones (12,6) potential modified to account for the anisotropy of the interaction. The fluid-wall interaction is modelled via a Lennard-Jones (10,4) potential and modified to account for the preferred orientation of the fluid particles. Due to larger geometric incompability stratification is more diffuse than in "simple" fluids . Molecular frustration at the junction between homeotropic and planar orienting portions of the walls decreases with increasing film thickness.