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 …

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 …

Nematic-field-driven positioning of particles in liquid crystal droplets

JK Whitmer, X Wang, F Mondiot, DS Miller, NL Abbott… - Physical review …, 2013 - APS
Common nematic oils, such as 5CB, experience planar anchoring at aqueous interfaces.
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

RS Zola, LR Evangelista, YC Yang, DK Yang - Physical Review Letters, 2013 - APS
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 …

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 …

Shape, chirality and internal order of freely suspended nematic nanodroplets

D Vanzo, M Ricci, R Berardi, C Zannoni - Soft Matter, 2012 - pubs.rsc.org
We investigate the properties of freely suspended nematic nanodroplets of increasing size
formed by elongated Gay–Berne mesogens, using extensive molecular dynamics …

Wetting behaviour and contact angles anisotropy of nematic nanodroplets on flat surfaces

D Vanzo, M Ricci, R Berardi, C Zannoni - Soft Matter, 2016 - pubs.rsc.org
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 …

Topological defects of tetratic liquid-crystal order on a soft spherical surface

Y Li, H Miao, H Ma, JZY Chen - Soft Matter, 2013 - pubs.rsc.org
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 …

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 …

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 …