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Shear-induced structural changes of a smectic-A phase: a computer simulation study.

G R Luckhurst1, G Saielli, T J Sluckin

  • 1Department of Chemistry and Southampton Liquid Crystal Institute, University of Southampton, Southampton SO17 1BJ, United Kingdom.

Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
|May 15, 2002
PubMed
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This study simulates shear effects on thin smectic-A phase samples. Smectic layers tilt and rearrange at critical shear, melting and reforming with reduced tilt due to wall pinning.

Area of Science:

  • Materials Science
  • Condensed Matter Physics
  • Computational Chemistry

Background:

  • Smectic-A liquid crystals exhibit layered structures.
  • Confining plates and shear influence molecular ordering.
  • Gay-Berne mesogens are model systems for liquid crystal simulations.

Purpose of the Study:

  • To investigate the behavior of thin smectic-A phase samples under shear.
  • To understand the layer dynamics and structural rearrangements during shear.
  • To compare simulation results with mean-field theory predictions.

Main Methods:

  • Monte Carlo simulation of a thin Gay-Berne mesogen sample.
  • Modeling samples confined between two plates with pinned boundaries.
  • Varying sample thickness from three to twenty molecular layers.

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Main Results:

  • Smectic layers tilt progressively with increasing shear.
  • A critical shear induces layer melting and reformation with reduced tilt.
  • Thin samples show reduced translational order near the center before critical shear.

Conclusions:

  • Simulation results align with Mottram et al.'s mean-field theory.
  • Layer dynamics under shear are dependent on sample thickness.
  • Wall pinning significantly affects layer rearrangement and critical shear behavior.