Elastic constants of hard thick platelets by Monte Carlo simulation and virial expansion

Paul A.C. O'Brien, Michael P. Allen, David Cheung, Matthew Dennison, Andrew Masters

Research output: Contribution to journalArticle

10 Citations (Scopus)

Abstract

In this paper we present an investigation into the calculation of the Frank elastic constants of hard plate-like particles via molecular simulation and virial expansion beyond second order. We adopt the cut-sphere model, in which each particle consists of a hard sphere from which the top and bottom have been removed by cuts parallel to, and equidistant from, the equatorial plane. Monte Carlo simulations were carried out and director fluctuations measured as a function of wavevector k, giving the elastic constants through a fit in the low-k limit. Additionally, the virial expansion coefficients of the elastic constants up to sixth order were calculated, and the validity of the theory determined by comparison with the simulation results. The simulation results are also compared with experimental measurements on colloidal suspensions of plate-like particles.
LanguageEnglish
Pages153-162
Number of pages10
JournalSoft Matter
Volume7
Issue number1
DOIs
Publication statusPublished - 7 Jan 2011

Fingerprint

Elastic constants
Platelets
platelets
elastic properties
expansion
simulation
Suspensions
colloids
Monte Carlo simulation
coefficients

Keywords

  • Monte Carlo simulation
  • elastic constants
  • colloidal suspensions

Cite this

O'Brien, P. A. C., Allen, M. P., Cheung, D., Dennison, M., & Masters, A. (2011). Elastic constants of hard thick platelets by Monte Carlo simulation and virial expansion. Soft Matter, 7(1), 153-162. https://doi.org/10.1039/C0SM00541J
O'Brien, Paul A.C. ; Allen, Michael P. ; Cheung, David ; Dennison, Matthew ; Masters, Andrew. / Elastic constants of hard thick platelets by Monte Carlo simulation and virial expansion. In: Soft Matter. 2011 ; Vol. 7, No. 1. pp. 153-162.
@article{43b516f6e36a4b379d64b640a043ef62,
title = "Elastic constants of hard thick platelets by Monte Carlo simulation and virial expansion",
abstract = "In this paper we present an investigation into the calculation of the Frank elastic constants of hard plate-like particles via molecular simulation and virial expansion beyond second order. We adopt the cut-sphere model, in which each particle consists of a hard sphere from which the top and bottom have been removed by cuts parallel to, and equidistant from, the equatorial plane. Monte Carlo simulations were carried out and director fluctuations measured as a function of wavevector k, giving the elastic constants through a fit in the low-k limit. Additionally, the virial expansion coefficients of the elastic constants up to sixth order were calculated, and the validity of the theory determined by comparison with the simulation results. The simulation results are also compared with experimental measurements on colloidal suspensions of plate-like particles.",
keywords = "Monte Carlo simulation, elastic constants, colloidal suspensions",
author = "O'Brien, {Paul A.C.} and Allen, {Michael P.} and David Cheung and Matthew Dennison and Andrew Masters",
year = "2011",
month = "1",
day = "7",
doi = "10.1039/C0SM00541J",
language = "English",
volume = "7",
pages = "153--162",
journal = "Soft Matter",
issn = "1744-683X",
number = "1",

}

O'Brien, PAC, Allen, MP, Cheung, D, Dennison, M & Masters, A 2011, 'Elastic constants of hard thick platelets by Monte Carlo simulation and virial expansion' Soft Matter, vol. 7, no. 1, pp. 153-162. https://doi.org/10.1039/C0SM00541J

Elastic constants of hard thick platelets by Monte Carlo simulation and virial expansion. / O'Brien, Paul A.C.; Allen, Michael P.; Cheung, David; Dennison, Matthew; Masters, Andrew.

In: Soft Matter, Vol. 7, No. 1, 07.01.2011, p. 153-162.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Elastic constants of hard thick platelets by Monte Carlo simulation and virial expansion

AU - O'Brien, Paul A.C.

AU - Allen, Michael P.

AU - Cheung, David

AU - Dennison, Matthew

AU - Masters, Andrew

PY - 2011/1/7

Y1 - 2011/1/7

N2 - In this paper we present an investigation into the calculation of the Frank elastic constants of hard plate-like particles via molecular simulation and virial expansion beyond second order. We adopt the cut-sphere model, in which each particle consists of a hard sphere from which the top and bottom have been removed by cuts parallel to, and equidistant from, the equatorial plane. Monte Carlo simulations were carried out and director fluctuations measured as a function of wavevector k, giving the elastic constants through a fit in the low-k limit. Additionally, the virial expansion coefficients of the elastic constants up to sixth order were calculated, and the validity of the theory determined by comparison with the simulation results. The simulation results are also compared with experimental measurements on colloidal suspensions of plate-like particles.

AB - In this paper we present an investigation into the calculation of the Frank elastic constants of hard plate-like particles via molecular simulation and virial expansion beyond second order. We adopt the cut-sphere model, in which each particle consists of a hard sphere from which the top and bottom have been removed by cuts parallel to, and equidistant from, the equatorial plane. Monte Carlo simulations were carried out and director fluctuations measured as a function of wavevector k, giving the elastic constants through a fit in the low-k limit. Additionally, the virial expansion coefficients of the elastic constants up to sixth order were calculated, and the validity of the theory determined by comparison with the simulation results. The simulation results are also compared with experimental measurements on colloidal suspensions of plate-like particles.

KW - Monte Carlo simulation

KW - elastic constants

KW - colloidal suspensions

U2 - 10.1039/C0SM00541J

DO - 10.1039/C0SM00541J

M3 - Article

VL - 7

SP - 153

EP - 162

JO - Soft Matter

T2 - Soft Matter

JF - Soft Matter

SN - 1744-683X

IS - 1

ER -