Hard-body models of bulk liquid crystals

L Mederos, E Velasco… - Journal of Physics …, 2014 - iopscience.iop.org
Hard models for particle interactions have played a crucial role in the understanding of the
structure of condensed matter. In particular, they help to explain the formation of oriented …

Phase diagram of two-dimensional hard rods from fundamental mixed measure density functional theory

R Wittmann, CE Sitta, F Smallenburg… - The Journal of chemical …, 2017 - pubs.aip.org
A density functional theory for the bulk phase diagram of two-dimensional orientable hard
rods is proposed and tested against Monte Carlo computer simulation data. In detail, an …

Design rules for 2D field mediated assembly of different shaped colloids into diverse microstructures

RS Hendley, L Zhang, MA Bevan - Soft Matter, 2022 - pubs.rsc.org
Assembling different shaped particles into ordered microstructures is an open challenge in
creating multifunctional particle-based materials and devices. Here, we report the two …

Hard superellipse phases: particle shape anisotropy & curvature

I Torres-Díaz, RS Hendley, A Mishra, AJ Yeh… - Soft Matter, 2022 - pubs.rsc.org
We report computer simulations of two-dimensional convex hard superellipse particle
phases vs. particle shape parameters including aspect ratio, corner curvature, and sidewall …

Modeling of crystal nucleation and growth in athermal polymers: Self-assembly of layered nano-morphologies

NC Karayiannis, K Foteinopoulou, CF Abrams, M Laso - Soft Matter, 2010 - pubs.rsc.org
We describe the salient characteristics and analyze the entropic origins of the spontaneous
crystal nucleation and growth as observed in extensive Monte Carlo simulations of dense …

Evolution of fivefold local symmetry during crystal nucleation and growth in dense hard-sphere packings

NC Karayiannis, R Malshe, M Kröger, JJ de Pablo… - Soft Matter, 2012 - pubs.rsc.org
Crystal nucleation and growth of monodisperse hard-spheres as a function of packing
density is studied by collision-driven molecular dynamics simulations. Short-range order in …

Random close packing of semi-flexible polymers in two dimensions: Emergence of local and global order

D Martínez-Fernández, C Pedrosa… - The Journal of …, 2024 - pubs.aip.org
Through extensive Monte Carlo simulations, we systematically study the effect of chain
stiffness on the packing ability of linear polymers composed of hard spheres in extremely …

[HTML][HTML] Phase ordering of zig-zag and bow-shaped hard needles in two dimensions

R Tavarone, P Charbonneau, H Stark - The Journal of Chemical …, 2015 - pubs.aip.org
We perform extensive Monte Carlo simulations of a two-dimensional bent hard-needle
model in both its chiral zig-zag and its achiral bow-shape configurations and present their …

Conformational degrees of freedom and stability of splay-bend ordering in the limit of a very strong planar anchoring

L Longa, M Cieśla, P Karbowniczek, A Chrzanowska - Physical Review E, 2023 - APS
We study the self-organization in a monolayer (a two-dimensional system) of flexible planar
trimer particles. The molecules are made up of two mesogenic units linked by a spacer, all of …

Structure of Langmuir Monolayers of Perfluorinated Fatty Acids: Evidence of a New 2D Smectic C Phase

P Fontaine, EJM Filipe, MC Fauré, T Rego, S Taßler… - Molecules, 2019 - mdpi.com
Due to the characteristic chain rigidity and weak intermolecular interactions of perfluorinated
substances, the phase diagram of Langmuir monolayer formed by perfluorinated molecules …