title: Monolayers of hard rods on planar substrates. I. Equilibrium.
abstract: The equilibrium properties of hard rod monolayers are investigated in a lattice model (where position and orientation of a rod are restricted to discrete values) as well as in an off-lattice model featuring spherocylinders with continuous positional and orientational degrees of freedom. Both models are treated using density functional theory and Monte Carlo simulations. Upon increasing the density of rods in the monolayer, there is a continuous ordering of the rods along the monolayer normal ("standing up" transition). The continuous transition also persists in the case of an external potential which favors flat-lying rods in the monolayer. This behavior is found in both the lattice and the continuum models. For the lattice model, we find very good agreement between the results from the specific DFT used (lattice fundamental measure theory) and simulations. The properties of lattice fundamental measure theory are further illustrated by the phase diagrams of bulk hard rods in two and three dimensions.
authors.affiliation: Institut für Angewandte Physik, Eberhard Karls Universität Tübingen, D-72076 Tübingen, Germany.
authors.forename: M
authors.initials: M
authors.lastname: Oettel
authors.affiliation: Institut für Angewandte Physik, Eberhard Karls Universität Tübingen, D-72076 Tübingen, Germany.
authors.forename: M
authors.initials: M
authors.lastname: Klopotek
authors.affiliation: Theory of Soft Condensed Matter, Physics and Materials Sciences Research Unit, Université du Luxembourg, L-1511 Luxembourg, Luxembourg.
authors.forename: M
authors.initials: M
authors.lastname: Dixit
authors.affiliation: Institut für Angewandte Physik, Eberhard Karls Universität Tübingen, D-72076 Tübingen, Germany.
authors.forename: E
authors.initials: E
authors.lastname: Empting
authors.affiliation: Theory of Soft Condensed Matter, Physics and Materials Sciences Research Unit, Université du Luxembourg, L-1511 Luxembourg, Luxembourg.
authors.forename: T
authors.initials: T
authors.lastname: Schilling
authors.affiliation: Institut für Theoretische Physik, Eberhard Karls Universität Tübingen, D-72076 Tübingen, Germany.
authors.forename: H
authors.initials: H
authors.lastname: Hansen-Goos