Ultraconfined oblate hard particles between hybrid penetrable walls
C Anquetil-Deck, DJ Cleaver, PIC Teixeira - Physical Review E, 2024 - APS
We have investigated, by Monte Carlo simulation, the orientational structure of very thin films
of a discotic liquid crystal (DLC) confined between hybrid walls of controllable penetrability …
of a discotic liquid crystal (DLC) confined between hybrid walls of controllable penetrability …
Phase transitions and topological defects in discotic liquid crystal droplets with planar anchoring: a Monte Carlo simulation study
D Salgado-Blanco, E Díaz-Herrera… - Soft Matter, 2023 - pubs.rsc.org
In this work we present the results of Monte Carlo (MC) simulations at the isothermal–
isobaric ensemble for a discotic liquid crystal (DLC) droplet whose surface promotes edge …
isobaric ensemble for a discotic liquid crystal (DLC) droplet whose surface promotes edge …
Dynamics of colloidal cubes and cuboids in cylindrical nanopores
Understanding how colloidal suspensions behave in confined environments has a striking
relevance in practical applications. Despite the fact that the behavior of colloids in the bulk is …
relevance in practical applications. Despite the fact that the behavior of colloids in the bulk is …
Orientational properties of the HGO system in a slit geometry in two-dimensional and three-dimensional case from Monte-Carlo simulations and Onsager theory …
A Chrzanowska - Liquid Crystals, 2024 - Taylor & Francis
ABSTRACT A problem of the orientational and density structure properties of a confined
three-dimensional (3D) and two-dimensional (2D) hard Gaussian overlap ellipsoids has …
three-dimensional (3D) and two-dimensional (2D) hard Gaussian overlap ellipsoids has …
Structural and dynamical equilibrium properties of hard board-like particles in parallel confinement
L Tonti, FA García Daza… - The Journal of …, 2024 - pubs.aip.org
We performed Monte Carlo and dynamic Monte Carlo simulations to model the diffusion of
monodispersed suspensions composed of impenetrable cuboidal particles, specifically hard …
monodispersed suspensions composed of impenetrable cuboidal particles, specifically hard …
Computer simulation study of confined oblate hard ellipsoid liquid crystals: Hard-disk–wall interaction
M Aghaei Semiromi, A Avazpour, Z Jaafari - Physical Review E, 2025 - APS
In this study, instead of an approximate hard Gaussian overlap model, the effects of
confinement on a system of oblate hard ellipsoid (OHE) particles interacting with planar …
confinement on a system of oblate hard ellipsoid (OHE) particles interacting with planar …
Theoretical and simulation study of confined oblate hard ellipsoid liquid crystals: NPT, NVT and extended restricted orientation model
Z Jaafari, A Avazpour, MA Semiromi… - Molecular Physics, 2025 - Taylor & Francis
In this study, confinement effects on a system of oblate hard ellipsoid (OHE) particles
interacting with planar substrates through the hard wall potential (HWP) were studied using …
interacting with planar substrates through the hard wall potential (HWP) were studied using …
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 …
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 …
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 …