Structure and interfacial tension of a hard-rod fluid in planar confinement
The structural properties and interfacial tension of a fluid of rodlike hard-spherocylinder
particles in contact with hard structureless flat walls are studied by means of Monte Carlo …
particles in contact with hard structureless flat walls are studied by means of Monte Carlo …
A simple predictor of interface orientation of fluids of disk-like anisotropic particles and its implications for organic semiconductors
From classical molecular dynamics simulations, we identify a simple and general predictor
of molecular orientation at solid and vapour interfaces of isotropic fluids of disk-like …
of molecular orientation at solid and vapour interfaces of isotropic fluids of disk-like …
Ordering of oblate hard particles between symmetric penetrable walls
We find the structure of a model discotic liquid crystal (DLC) confined between symmetric
walls of controllable penetrability. The model consists of oblate hard Gaussian overlap …
walls of controllable penetrability. The model consists of oblate hard Gaussian overlap …
Ordering of oblate hard particles between hybrid penetrable walls
C Anquetil-Deck, DJ Cleaver… - The Journal of Physical …, 2020 - ACS Publications
We report a Monte Carlo (MC) simulation study of a model discotic liquid crystal (DLC)
confined between hybrid walls with controllable penetrability. The model consists of oblate …
confined between hybrid walls with controllable penetrability. The model consists of oblate …
Pressure-tensor method evaluation of the interfacial tension between Gay–Berne isotropic fluid and a smooth repulsive wall
J Kaur, D Deb - Soft Matter, 2021 - pubs.rsc.org
The interfacial properties of a confined thermotropic liquid crystalline material are
investigated using a molecular dynamics simulation technique. The pairwise interaction …
investigated using a molecular dynamics simulation technique. The pairwise interaction …
Monte Carlo simulations of biaxial molecules near a hard wall
A Kapanowski, S Dawidowicz - arxiv preprint arxiv:2110.02199, 2021 - arxiv.org
A system of optimal biaxial molecules placed at the sites of a cubic lattice is studied in an
extended Lebwohl-Lasher model. Molecules interact only with their nearest neighbors …
extended Lebwohl-Lasher model. Molecules interact only with their nearest neighbors …
A simple predictor of interface orientation of mesogenic fluids and its implications for organic semiconductors
From classical molecular dynamics simulations, we identify a simple and general predictor
of molecular orientation at solid and vapour interfaces of isotropic fluids of anisotropic …
of molecular orientation at solid and vapour interfaces of isotropic fluids of anisotropic …