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Related Experiment Videos

Surface ordering of diskotic liquid crystals.

L Bellier-Castella1, D Caprion, J-P Ryckaert

  • 1Département de Physique des Matériaux (UMR 5586 du CNRS), Université Claude Bernard-Lyon 1, 69622 Villeurbanne Cedex, France.

The Journal of Chemical Physics
|August 31, 2004
PubMed
Summary

Monte Carlo simulations reveal diskotic molecule behavior in slab geometry. Nematic-columnar transition temperatures shift based on disk-wall interactions, increasing with homeotropic anchoring and decreasing with planar anchoring.

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Area of Science:

  • Soft Matter Physics
  • Computational Chemistry
  • Materials Science

Background:

  • Diskotic molecules exhibit complex phase behavior, including liquid crystalline phases.
  • Understanding molecular interactions at interfaces is crucial for designing advanced materials.
  • The Gay-Berne potential is a widely used model for simulating anisotropic molecules.

Purpose of the Study:

  • To investigate the influence of disk-wall interactions on the phase transitions of diskotic molecules.
  • To model homeotropic (face-on) and planar (edge-on) anchoring using tunable disk-wall potentials.
  • To compare simulation results in slab geometry with bulk behavior.

Main Methods:

  • Monte Carlo simulations were employed to study diskotic molecules.
  • The Gay-Berne potential was used to describe inter-molecular interactions.

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  • Two distinct disk-wall interaction functions were implemented to model different anchoring scenarios.

    • Main Results:

    • The isotropic-nematic transition temperature remained unchanged compared to bulk simulations.
    • The nematic-columnar transition temperature increased for homeotropic anchoring.
    • The nematic-columnar transition temperature decreased for planar anchoring.

    Conclusions:

    • Disk-wall interactions significantly influence the nematic-columnar transition temperature in slab geometry.
    • Homeotropic anchoring enhances, while planar anchoring suppresses, the nematic-columnar transition.
    • Planar anchoring-induced frustration, arising from competing wall orientations, explains the decreased transition temperature.