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This study computationally investigates inhomogeneous configurations in nematic liquid crystals using an extended Maier-Saupe model. The findings provide insights into topological defects and tactoids, offering advantages over existing models.

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Area of Science:

  • Materials Science
  • Condensed Matter Physics
  • Chemical Physics

Background:

  • Nematic liquid crystals display complex large-scale ordering.
  • Topological defects and tactoids are key inhomogeneous structures.
  • Existing models may not fully capture these phenomena.

Purpose of the Study:

  • To computationally study inhomogeneous nematic liquid crystal configurations.
  • To extend the Maier-Saupe molecular model for this purpose.
  • To compare results with the Landau-de Gennes free energy model.

Main Methods:

  • Utilized a field theory extension of the Maier-Saupe model.
  • Defined a tensor order parameter based on orientational probability distribution.
  • Performed computations for 1D interface, 2D tactoid, and 2D disclination.

Main Results:

  • The free energy is non-convex in the isotropic-nematic coexistence region.
  • Calculated spatial profiles of the order parameter for various configurations.
  • Demonstrated the model's ability to handle nonphysical order parameter eigenvalues.

Conclusions:

  • The extended Maier-Saupe model effectively describes inhomogeneous nematic liquid crystal structures.
  • This approach offers advantages over the Landau-de Gennes free energy model.
  • The study provides a robust computational framework for liquid crystal research.