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 …

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 …

Fundamental measure theory for smectic phases: scaling behavior and higher order terms

R Wittmann, M Marechal, K Mecke - The Journal of Chemical Physics, 2014 - pubs.aip.org
The recent extension of Rosenfeld's fundamental measure theory to anisotropic hard
particles predicts nematic order of rod-like particles. Our analytic study of different aligned …

Isotropic-nematic transition for hard rods on a three-dimensional cubic lattice

A Gschwind, M Klopotek, Y Ai, M Oettel - Physical Review E, 2017 - APS
Using grand-canonical Monte Carlo (GCMC) simulations, we investigate the isotropic-
nematic phase transition for hard rods of size L× 1× 1 on a three-dimensional cubic lattice …

Droplet relaxation in Hele-Shaw geometry: Application to the measurement of the nematic-isotropic surface tension

P Oswald, G Poy - Physical Review E, 2015 - APS
Shape measurements after the coalescence of isotropic droplets embedded in a thin sample
of a homeotropic nematic phase provides a tool to measure the nematic-isotropic surface …

A Landau-de Gennes theory for hard colloidal rods: Defects and tactoids

JC Everts, M Punter, S Samin… - The Journal of …, 2016 - pubs.aip.org
We construct a phenomenological Landau-de Gennes theory for hard colloidal rods by
performing an order parameter expansion of the chemical-potential dependent grand …

Fundamental mixed measure theory for non-spherical colloids

R Wittmann, M Marechal, K Mecke - Europhysics Letters, 2015 - iopscience.iop.org
Accurate predictions for the collective behavior of non-spherical colloids and nano-particles
can guide the search for novel self-assembled materials. We derive a new type of density …

Biaxial nematic order in fundamental measure theory

A El Moumane, M Te Vrugt, H Löwen… - The Journal of Chemical …, 2024 - pubs.aip.org
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 …

Neural-network approach to modeling liquid crystals in complex confinement

T Santos-Silva, PIC Teixeira, C Anquetil-Deck… - Physical Review E, 2014 - APS
Finding the structure of a confined liquid crystal is a difficult task since both the density and
order parameter profiles are nonuniform. Starting from a microscopic model and density …

Effect of sample height and particle elongation in the sedimentation of colloidal rods

T Eckert, M Schmidt, D de Las Heras - Soft Matter, 2023 - pubs.rsc.org
We study theoretically the effect of a gravitational field on the equilibrium behaviour of a
colloidal suspension of rods with different length-to-width aspect ratios. The bulk phases of …