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Liquid-crystal-mediated force between a cylindrical nanoparticle and substrate
(American Physical Society, 2007-10-25)
Using classical density functional theory, the structure of a molecular fluid around a cylindrical nanoparticle near a solid substrate is studied. The solvent-mediated force between the nanoparticle and the substrate is ...
Structure of molecular liquids: cavity and bridge functions of the hard spheroid fluid
(American Physical Society, 2006-06-28)
We present methodologies for calculating the direct correlation function c(1,2), the cavity function y(1,2), and the bridge function b(1,2), for molecular liquids, from Monte Carlo simulations. As an example we present ...
Molecular structure and phase behaviour of hairy-rod polymers
(Royal Society of Chemistry, 2009)
Using dissipative particle dynamics simulations the relationship between molecular architecture and phase behaviour in model hairy-rod polymers is studied. In agreement with experimental and theoretical studies the phase ...
Stability of Janus nanoparticles at fluid interface
(Royal Society of Chemistry, 2009)
Using Monte Carlo simulations the interaction of a nanometre-sized, spherical Janus particle (a particle with two distinct surface regions of different functionality, in this case showing amphiphilic behaviour) with an ...
Monte Carlo simulations of liquid crystals between microstructured substrates
(American Institute of Physics, 2008)
The structure of a model liquid crystalline fluid confined between two microstructured substrates is studied through Monte Carlo simulations. A simple model for a structured substrate, similar in spirit to those used for ...
Effect of substrate geometry on liquid-crystal-mediated nanocylinder-substrate interactions
(American Institute of Physics, 2008)
Using classical density functional theory, the liquid crystal (LC)-mediated interaction between a cylindrical nanoparticle and a structured substrate is studied. The surface is structured by cutting a rectangular groove ...