Monte Carlo simulations of liquid crystals near rough walls

David Cheung, Friederike Schmid

Research output: Contribution to journalArticle

16 Citations (Scopus)
48 Downloads (Pure)

Abstract

The effect of surface roughness on the structure of liquid crystalline fluids near solid substrates is studied by Monte Carlo simulations. The liquid crystal is modeled as a fluid of soft ellipsoidal molecules and the substrate is modeled as a hard wall that excludes the centers of mass of the fluid molecules. Surface roughness is introduced by embedding a number of molecules with random positions and orientations within the wall. It is found that the density and order near the wall are reduced as the wall becomes rougher, i.e., the number of embedded molecules is increased). Anchoring coefficients are determined from fluctuations in the reciprocal space order tensor. It is found that the anchoring strength decreases with increasing surface roughness.
Original languageEnglish
Article number074902
Number of pages7
JournalJournal of Chemical Physics
Volume122
Issue number7
Early online date10 Feb 2005
DOIs
Publication statusPublished - 15 Feb 2005

Fingerprint

Liquid Crystals
liquid crystals
surface roughness
Molecules
Surface roughness
Fluids
molecules
fluids
simulation
Substrates
embedding
Tensors
center of mass
tensors
Crystalline materials
Monte Carlo simulation
Liquids
coefficients
liquids

Keywords

  • surface roughness
  • liquid structure
  • liquid crystals
  • liquid theory
  • Monte Carlo methods

Cite this

Cheung, David ; Schmid, Friederike. / Monte Carlo simulations of liquid crystals near rough walls. In: Journal of Chemical Physics . 2005 ; Vol. 122, No. 7.
@article{2acf21f86a3f4ef3ab4041863e40c332,
title = "Monte Carlo simulations of liquid crystals near rough walls",
abstract = "The effect of surface roughness on the structure of liquid crystalline fluids near solid substrates is studied by Monte Carlo simulations. The liquid crystal is modeled as a fluid of soft ellipsoidal molecules and the substrate is modeled as a hard wall that excludes the centers of mass of the fluid molecules. Surface roughness is introduced by embedding a number of molecules with random positions and orientations within the wall. It is found that the density and order near the wall are reduced as the wall becomes rougher, i.e., the number of embedded molecules is increased). Anchoring coefficients are determined from fluctuations in the reciprocal space order tensor. It is found that the anchoring strength decreases with increasing surface roughness.",
keywords = "surface roughness, liquid structure, liquid crystals, liquid theory, Monte Carlo methods",
author = "David Cheung and Friederike Schmid",
year = "2005",
month = "2",
day = "15",
doi = "10.1063/1.1844495",
language = "English",
volume = "122",
journal = "Journal of Chemical Physics",
issn = "0021-9606",
number = "7",

}

Monte Carlo simulations of liquid crystals near rough walls. / Cheung, David; Schmid, Friederike.

In: Journal of Chemical Physics , Vol. 122, No. 7, 074902, 15.02.2005.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Monte Carlo simulations of liquid crystals near rough walls

AU - Cheung, David

AU - Schmid, Friederike

PY - 2005/2/15

Y1 - 2005/2/15

N2 - The effect of surface roughness on the structure of liquid crystalline fluids near solid substrates is studied by Monte Carlo simulations. The liquid crystal is modeled as a fluid of soft ellipsoidal molecules and the substrate is modeled as a hard wall that excludes the centers of mass of the fluid molecules. Surface roughness is introduced by embedding a number of molecules with random positions and orientations within the wall. It is found that the density and order near the wall are reduced as the wall becomes rougher, i.e., the number of embedded molecules is increased). Anchoring coefficients are determined from fluctuations in the reciprocal space order tensor. It is found that the anchoring strength decreases with increasing surface roughness.

AB - The effect of surface roughness on the structure of liquid crystalline fluids near solid substrates is studied by Monte Carlo simulations. The liquid crystal is modeled as a fluid of soft ellipsoidal molecules and the substrate is modeled as a hard wall that excludes the centers of mass of the fluid molecules. Surface roughness is introduced by embedding a number of molecules with random positions and orientations within the wall. It is found that the density and order near the wall are reduced as the wall becomes rougher, i.e., the number of embedded molecules is increased). Anchoring coefficients are determined from fluctuations in the reciprocal space order tensor. It is found that the anchoring strength decreases with increasing surface roughness.

KW - surface roughness

KW - liquid structure

KW - liquid crystals

KW - liquid theory

KW - Monte Carlo methods

U2 - 10.1063/1.1844495

DO - 10.1063/1.1844495

M3 - Article

VL - 122

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 7

M1 - 074902

ER -