Molecular simulation of liquid crystals
MP Allen - Molecular Physics, 2019 - Taylor & Francis
This article reviews recent progress in the computer simulation of liquid crystals at the
molecular level. It covers the use of simple rigid-body models of the constituent molecules …
molecular level. It covers the use of simple rigid-body models of the constituent molecules …
Overview: Understanding nucleation phenomena from simulations of lattice gas models
K Binder, P Virnau - The Journal of chemical physics, 2016 - pubs.aip.org
Monte Carlo simulations of homogeneous and heterogeneous nucleation in Ising/lattice gas
models are reviewed with an emphasis on the general insight gained on the mechanisms by …
models are reviewed with an emphasis on the general insight gained on the mechanisms by …
Nematic-field-driven positioning of particles in liquid crystal droplets
Common nematic oils, such as 5CB, experience planar anchoring at aqueous interfaces.
When these oils are emulsified, this anchoring preference and the resulting topological …
When these oils are emulsified, this anchoring preference and the resulting topological …
Surface Induced Phase Separation and Pattern Formation at the Isotropic Interface<? format?> in Chiral Nematic Liquid Crystals
We study the pattern formation of a chiral nematic liquid crystal under a wetting transition. In
the isotropic-liquid crystal transition, a surface-enhanced effect happens and a thin liquid …
the isotropic-liquid crystal transition, a surface-enhanced effect happens and a thin liquid …
Colloidal liquid crystals confined to synthetic tactoids
IC Gârlea, O Dammone, J Alvarado, V Notenboom… - Scientific reports, 2019 - nature.com
When a liquid crystal forming particles are confined to a spatial volume with dimensions
comparable to that of their own size, they face a complex trade-off between their global …
comparable to that of their own size, they face a complex trade-off between their global …
Shape, chirality and internal order of freely suspended nematic nanodroplets
We investigate the properties of freely suspended nematic nanodroplets of increasing size
formed by elongated Gay–Berne mesogens, using extensive molecular dynamics …
formed by elongated Gay–Berne mesogens, using extensive molecular dynamics …
Wetting behaviour and contact angles anisotropy of nematic nanodroplets on flat surfaces
We have studied the wetting behaviour of liquid crystal nanodroplets deposited on a planar
surface, modelling the mesogens with Gay-Berne ellipsoids and the support surface with a …
surface, modelling the mesogens with Gay-Berne ellipsoids and the support surface with a …
Topological defects of tetratic liquid-crystal order on a soft spherical surface
We model the orientational and positional order of tetratically shaped molecules, each
having four-fold structural symmetry, confined on a spherical surface. Our Monte Carlo …
having four-fold structural symmetry, confined on a spherical surface. Our Monte Carlo …
Computer simulation study of the nematic–vapour interface in the Gay–Berne model
LF Rull, JM Romero-Enrique - Molecular Physics, 2017 - Taylor & Francis
We present computer simulations of the vapour–nematic interface of the Gay–Berne model.
We considered situations which correspond to either prolate or oblate molecules. We …
We considered situations which correspond to either prolate or oblate molecules. We …
Nanodrops of discotic liquid crystals: a Monte Carlo study
LF Rull, JM Romero-Enrique - Langmuir, 2017 - ACS Publications
We study the morphologies of nematic nanodrops in a vapor of a discotic nematogen by
Monte Carlo simulations. The fluid interactions are modeled by a Gay-Berne model with …
Monte Carlo simulations. The fluid interactions are modeled by a Gay-Berne model with …