Regensburg 2016 – wissenschaftliches Programm
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DY: Fachverband Dynamik und Statistische Physik
DY 31: Poster - Pattern Formation
DY 31.7: Poster
Dienstag, 8. März 2016, 18:15–21:00, Poster C
Lattice model of ‘sticky’ hard rods: Bulk equilibrium and layer growth at a substrate — •Miriam Klopotek1, Martin Oettel1, Hendrik Hansen-Goos2, Yuding Ai3, Eelco Empting1, and Frank Schreiber1 — 1Institute for Applied Physics, University of Tübingen — 2Institute for Theoretical Physics, University of Tübingen — 3Hanover College, IN, USA
We model 3D hard rods in the vicinity of a substrate in a lattice model that includes ‘sticky’ interactions between the rods and/or with the substrate.
This study continues a previous lattice-model study of purely hard-core rods forming a monolayer.
Rods in bulk are investigated in equilibrium via grand canonical Monte Carlo (GCMC) methods and rods on a substrate out-of-equilibrium via kinetic Monte Carlo (KMC). Specifically,
successive umbrella sampling was employed for bulk-GCMC [1].
We seek to understand the origin of structures that form
during growth, i.e. if they stem from equilibrium phases or are the products of kinetic effects.
Thin film growth is a topic of fundamental experimental research, in particular for
organic molecules with semiconducting properties.
Organic molecules are typically highly anisotropic, showing intricate ordering not seen in the case of isotropic molecular/atomistic films [2]. Our models explore the effect of particle anisotropy
plus interactions with each other and the substrate.
[1] R.L.C. Vink, S. Wolfsheimer, and T. Schilling, J. Chem. Phys. 123(7):074901, 2005.
[2] S. Kowarik et al., Phys. Rev. Lett. 96:125504, 2006.