[HTML][HTML] Topological fine structure of smectic grain boundaries and tetratic disclination lines within three-dimensional smectic liquid crystals
Observing and characterizing the complex ordering phenomena of liquid crystals subjected
to external constraints constitutes an ongoing challenge for chemists and physicists alike. To …
to external constraints constitutes an ongoing challenge for chemists and physicists alike. To …
Phase diagram of two-dimensional hard rods from fundamental mixed measure density functional theory
R Wittmann, CE Sitta, F Smallenburg… - The Journal of chemical …, 2017 - pubs.aip.org
A density functional theory for the bulk phase diagram of two-dimensional orientable hard
rods is proposed and tested against Monte Carlo computer simulation data. In detail, an …
rods is proposed and tested against Monte Carlo computer simulation data. In detail, an …
Nematic order in solutions of semiflexible polymers: Hairpins, elastic constants, and the nematic-smectic transition
Coarse-grained models of lyotropic solutions of semiflexible polymers are studied by both
molecular dynamics simulations and density functional theory calculations, using an implicit …
molecular dynamics simulations and density functional theory calculations, using an implicit …
Fundamental measure theory for non-spherical hard particles: predicting liquid crystal properties from the particle shape
R Wittmann, M Marechal, K Mecke - Journal of Physics …, 2016 - iopscience.iop.org
Density functional theory (DFT) for hard bodies provides a theoretical description of the
effect of particle shape on inhomogeneous fluids. We present improvements of the DFT …
effect of particle shape on inhomogeneous fluids. We present improvements of the DFT …
Density functional theory of nematic elasticity: softening from the polar order
P De Gregorio, E Frezza, C Greco, A Ferrarini - Soft Matter, 2016 - pubs.rsc.org
Recent experiments have evidenced some unconventional features in the elasticity of
nematics, which cannot be explained by standard microscopic theories. Here, in the …
nematics, which cannot be explained by standard microscopic theories. Here, in the …
A Landau-de Gennes theory for hard colloidal rods: Defects and tactoids
We construct a phenomenological Landau-de Gennes theory for hard colloidal rods by
performing an order parameter expansion of the chemical-potential dependent grand …
performing an order parameter expansion of the chemical-potential dependent grand …
Simulating the pitch sensitivity of twisted nematics of patchy rods
Š Růžička, HH Wensink - Soft Matter, 2016 - pubs.rsc.org
Stiff, elongated biomolecules such as filamentous viruses, DNA or cellulose nanocrystals
are known to form liquid crystals often exhibiting a helical supramolecular organization. Little …
are known to form liquid crystals often exhibiting a helical supramolecular organization. Little …
Biaxial nematic order in fundamental measure theory
Liquid crystals consisting of biaxial particles can exhibit a much richer phase behavior than
their uniaxial counterparts. Usually, one has to rely on simulation results to understand the …
their uniaxial counterparts. Usually, one has to rely on simulation results to understand the …
Surface tension of isotropic-nematic interfaces: Fundamental measure theory for hard spherocylinders
R Wittmann, K Mecke - The Journal of Chemical Physics, 2014 - pubs.aip.org
A fluid constituted of hard spherocylinders is studied using a density functional theory for
non-spherical hard particles, which can be written as a function of weighted densities. This is …
non-spherical hard particles, which can be written as a function of weighted densities. This is …
Density functional theory and simulations of colloidal triangular prisms
Nanopolyhedra form a versatile toolbox to investigate the effect of particle shape on self-
assembly. Here we consider rod-like triangular prisms to gauge the effect of the cross …
assembly. Here we consider rod-like triangular prisms to gauge the effect of the cross …