Hard-body models of bulk liquid crystals

L Mederos, E Velasco… - Journal of Physics …, 2014 - iopscience.iop.org
Hard models for particle interactions have played a crucial role in the understanding of the
structure of condensed matter. In particular, they help to explain the formation of oriented …

Particle-resolved topological defects of smectic colloidal liquid crystals in extreme confinement

R Wittmann, LBG Cortes, H Löwen… - Nature …, 2021 - nature.com
Confined samples of liquid crystals are characterized by a variety of topological defects and
can be exposed to external constraints such as extreme confinements with nontrivial …

Defying the gibbs phase rule: Evidence for an entropy-driven quintuple point in colloid-polymer mixtures

VFD Peters, M Vis, ÁG García, HH Wensink… - Physical Review Letters, 2020 - APS
Using a minimal algebraic model for the thermodynamics of binary rod-polymer mixtures, we
provide evidence for a quintuple phase equilibrium; an observation that seems to be at odds …

Topological fine structure of smectic grain boundaries and tetratic disclination lines within three-dimensional smectic liquid crystals

PA Monderkamp, R Wittmann, M Te Vrugt… - Physical Chemistry …, 2022 - pubs.rsc.org
Observing and characterizing the complex ordering phenomena of liquid crystals subjected
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 …

Classical density functional theory, unconstrained crystallization, and polymorphic behavior

JF Lutsko, J Lam - Physical Review E, 2018 - APS
While in principle, classical density functional theory (cDFT) should be a powerful tool for the
study of crystallization, in practice this has not so far been the case. Progress has been …

Physics-constrained Bayesian inference of state functions in classical density-functional theory

P Yatsyshin, S Kalliadasis, AB Duncan - The Journal of Chemical …, 2022 - pubs.aip.org
We develop a novel data-driven approach to the inverse problem of classical statistical
mechanics: Given the experimental data on the collective motion of a classical many-body …

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 …

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 …

Algebraic equations of state for the liquid crystalline phase behavior of hard rods

VFD Peters, M Vis, HH Wensink, R Tuinier - Physical Review E, 2020 - APS
Based on simplifications of previous numerical calculations [H. Graf and H. Löwen, Phys.
Rev. E 59, 1932 (1999) 1063-651X 10.1103/PhysRevE. 59.1932], we propose algebraic free …