Monte Carlo simulations of liquid crystals near rough walls

Cheung, David and Schmid, Friederike (2005) Monte Carlo simulations of liquid crystals near rough walls. Journal of Chemical Physics, 122 (7). 074902. ISSN 0021-9606 (https://doi.org/10.1063/1.1844495)

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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.

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• Item metadata

  Item type:	Article
  ID code:	43525
  Dates:	Date Event 15 February 2005 Published 10 February 2005 Published Online
  Subjects:	Science > Chemistry
  Department:	Faculty of Science > Pure and Applied Chemistry
  Depositing user:	Pure Administrator
  Date deposited:	22 Apr 2013 10:00
  Last modified:	11 Nov 2024 10:23
  URI:	https://strathprints.strath.ac.uk/id/eprint/43525