Progress in computer simulations of liquid crystals
MR Wilson - International Reviews in Physical Chemistry, 2005 - Taylor & Francis
This article reviews some of the recent progress in the simulation of liquid crystals across a
range of length and time scales. Simulators now have an extensive range of models at their …
range of length and time scales. Simulators now have an extensive range of models at their …
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 …
Equilibrium liquid crystal phase diagrams and detection of kinetic arrest in cellulose nanocrystal suspensions
The cholesteric liquid crystal self-assembly of water-suspended cellulose nanocrystal (CNC)
into a helical arrangement was observed already more than 20 years ago, and the …
into a helical arrangement was observed already more than 20 years ago, and the …
Modeling the cholesteric pitch of apolar cellulose nanocrystal suspensions using a chiral hard-bundle model
Cellulose nanocrystals (CNCs) are naturally sourced elongated nanocolloids that form
cholesteric phases in water and apolar solvents. It is well accepted that CNCs are made of …
cholesteric phases in water and apolar solvents. It is well accepted that CNCs are made of …
Molecular simulation approaches to the study of thermotropic and lyotropic liquid crystals
Over the last decade, the availability of computer time, together with new algorithms capable
of exploiting parallel computer architectures, has opened up many possibilities in …
of exploiting parallel computer architectures, has opened up many possibilities in …
Cholesterics of colloidal helices: Predicting the macroscopic pitch from the particle shape and thermodynamic state
Building a general theoretical framework to describe the microscopic origin of macroscopic
chirality in (colloidal) liquid crystals is a long-standing challenge. Here, we combine …
chirality in (colloidal) liquid crystals is a long-standing challenge. Here, we combine …
Pre-smectic ordering and the unwinding helix in Monte Carlo simulations of cholesteric liquid-crystals
In this paper, molecular chirality is studied for liquid-crystal fluids represented by hard rods
with the addition of an attractive chiral dispersion term. Chiral forces between molecular …
with the addition of an attractive chiral dispersion term. Chiral forces between molecular …
Molecular graphics of convex body fluids
AT Gabriel, T Meyer, G Germano - Journal of Chemical Theory …, 2008 - ACS Publications
Coarse-grained modeling of molecular fluids is often based on nonspherical convex rigid
bodies like ellipsoids or spherocylinders representing rodlike or platelike molecules or …
bodies like ellipsoids or spherocylinders representing rodlike or platelike molecules or …
Density functional theory for chiral nematic liquid crystals
Even though chiral nematic phases were the first liquid crystals experimentally observed
more than a century ago, the origin of the thermodynamic stability of cholesteric states is still …
more than a century ago, the origin of the thermodynamic stability of cholesteric states is still …
Hidden scale invariance in the Gay-Berne model
This paper presents a numerical study of the Gay-Berne liquid crystal model with parameters
corresponding to calamitic (rod-shaped) molecules. The focus is on the isotropic and …
corresponding to calamitic (rod-shaped) molecules. The focus is on the isotropic and …