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 …
Chiral structures and defects of lyotropic chromonic liquid crystals induced by saddle-splay elasticity
An experimental and theoretical study of lyotropic chromonic liquid crystals (LCLCs)
confined in cylinders with degenerate planar boundary conditions elucidates LCLC director …
confined in cylinders with degenerate planar boundary conditions elucidates LCLC director …
[HTML][HTML] Learning free energy landscapes using artificial neural networks
H Sidky, JK Whitmer - The Journal of chemical physics, 2018 - pubs.aip.org
Existing adaptive bias techniques, which seek to estimate free energies and physical
properties from molecular simulations, are limited by their reliance on fixed kernels or basis …
properties from molecular simulations, are limited by their reliance on fixed kernels or basis …
Elasticity of lyotropic nematic liquid crystals: a review of experiments, theory and simulation
S Varytimiadou, D Revignas, F Giesselmann… - Liquid Crystals …, 2024 - Taylor & Francis
The elastic response of liquid crystals (LCs) to external perturbations is of eminent
importance for both their theoretical understanding and practical application. While the …
importance for both their theoretical understanding and practical application. While the …
Elastic constants of biological filamentous colloids: estimation and implications on nematic and cholesteric tactoid morphologies
Biological liquid crystals, originating from the self-assembly of biological filamentous
colloids, such as cellulose and amyloid fibrils, show a complex lyotropic behaviour that is …
colloids, such as cellulose and amyloid fibrils, show a complex lyotropic behaviour that is …
The interplay between activity and filament flexibility determines the emergent properties of active nematics
Active nematics are microscopically driven liquid crystals that exhibit dynamical steady
states characterized by the creation and annihilation of topological defects. Motivated by …
states characterized by the creation and annihilation of topological defects. Motivated by …
Structures, thermodynamics and dynamics of topological defects in Gay–Berne nematic liquid crystals
Y Huang, W Wang, JK Whitmer, R Zhang - Soft Matter, 2023 - pubs.rsc.org
Topological defects are a ubiquitous phenomenon across different physical systems. A
better understanding of defects can be helpful in elucidating the physical behaviors of many …
better understanding of defects can be helpful in elucidating the physical behaviors of many …
On the elusive saddle–splay and splay–bend elastic constants of nematic liquid crystals
D Revignas, A Ferrarini - The Journal of Chemical Physics, 2023 - pubs.aip.org
The elastic behavior of nematics is commonly described in terms of the three so-called bulk
deformation modes, ie, splay, twist, and bend. However, the elastic free energy contains also …
deformation modes, ie, splay, twist, and bend. However, the elastic free energy contains also …
Molecular simulations of analyte partitioning and diffusion in liquid crystal sensors
JK Sheavly, JI Gold, M Mavrikakis… - … Systems Design & …, 2020 - pubs.rsc.org
Chemoresponsive liquid crystal (LC) sensors are promising platforms for the detection of
vapor-phase analytes. Understanding the transport of analyte molecules within LC films …
vapor-phase analytes. Understanding the transport of analyte molecules within LC films …
Reversible switching of liquid crystalline order permits synthesis of homogeneous populations of dipolar patchy microparticles
The spontaneous positioning of colloids on the surfaces of micrometer‐sized liquid crystal
(LC) droplets and their subsequent polymerization offers the basis of a general and facile …
(LC) droplets and their subsequent polymerization offers the basis of a general and facile …