Reference : Monolayers of hard rods on planar substrates. II. Growth
Scientific journals : Article
Physical, chemical, mathematical & earth Sciences : Physics
Physics and Materials Science
Monolayers of hard rods on planar substrates. II. Growth
Klopotek, Miriam []
Hansen-Goos, Hendrik []
Dixit, Mohit mailto [University of Luxembourg > Faculty of Science, Technology and Communication (FSTC) > Physics and Materials Science Research Unit >]
Schilling, Tanja []
Schreiber, Frank []
Oettel, Martin []
Journal of Chemical Physics
American Institute of Physics
Yes (verified by ORBilu)
New York
[en] Growth of hard-rod monolayers via deposition is studied in a lattice model using rods with discrete orientations and in a continuum model with hard spherocylinders. The lattice model is treated with kinetic Monte Carlo simulations and dynamic density functional theory while the continuum model is studied by dynamic Monte Carlo simulations equivalent to diffusive dynamics. The evolution of nematic order (excess of upright particles, “standing-up” transition) is an entropic effect and is mainly governed by the equilibrium solution, rendering a continuous transition [Paper I, M. Oettel et al., J. Chem. Phys. 145, 074902 (2016)]. Strong non-equilibrium effects (e.g., a noticeable dependence on the ratio of rates for translational and rotational moves) are found for attractive substrate potentials favoring lying rods. Results from the lattice and the continuum models agree qualitatively if the relevant characteristic times for diffusion, relaxation of nematic order, and deposition are matched properly. Applicability of these monolayer results to multilayer growth is discussed for a continuum-model realization in three dimensions where spherocylinders are deposited continuously onto a substrate via diffusion.
University of Luxembourg: High Performance Computing - ULHPC
University of Luxembourg - UL
FnR ; FNR9476226 > Tanja Schilling > film growth > Crystalline thin lm growth in anisotropic mixtures: a combined ap-proach by experiment, theory and simulation > 01/07/2015 > 30/06/2018 > 2014

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