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Orientational Transition in a Liquid Crystal Triggered by the Thermodynamic Growth of Interfacial Wetting Sheets
06:26

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Published on: May 15, 2017

Orientational correlations in two-dimensional liquid crystals studied by molecular dynamics simulation.

Go Watanabe1, Jun-ichi Saito, Nobuyuki Kato

  • 1Department of Applied Physics, Waseda University, 3-4-1 Okubo Shinjuku-ku, Tokyo 169-8555, Japan. go_watanabe@aoni.waseda.jp

The Journal of Chemical Physics
|February 10, 2011
PubMed
Summary

Molecular dynamics simulations reveal distinct orientational correlations in 2D liquid crystal (LC) monolayers. Nematic and smectic-C phases exhibit unique power-law decays, influencing their optical properties and molecular interactions.

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Area of Science:

  • Condensed Matter Physics
  • Materials Science
  • Physical Chemistry

Background:

  • Langmuir monolayers offer a 2D platform to study liquid crystal (LC) phases.
  • Understanding orientational correlations is key to predicting LC behavior and properties.
  • Nematic and smectic-C phases possess distinct molecular ordering characteristics.

Purpose of the Study:

  • To investigate orientational correlations in nematic and smectic-C Langmuir monolayers using molecular dynamics simulations.
  • To determine the exponents of power-law decay for orientational correlation functions in both phases.
  • To correlate molecular interactions with observed orientational order and optical properties.

Main Methods:

  • Molecular dynamics (MD) simulations were employed to model Langmuir monolayers.
  • Orientational correlation functions were calculated for nematic and smectic-C LC phases.
  • Analysis focused on the exponents of algebraic decay and their relation to molecular interactions.

Main Results:

  • Both nematic and smectic-C monolayers exhibit algebraic decay of orientational correlation functions, indicating absence of long-range order.
  • Exponents of 1.9 (nematic) and 0.2 (smectic-C) were determined, differing significantly.
  • The nematic monolayer is optically isotropic, while the smectic-C monolayer shows anisotropy relevant to visible light.

Conclusions:

  • The distinct exponents suggest significant differences in molecular interactions and dynamics between the two 2D LC phases.
  • Nematic monolayers have weaker molecular interactions (an order of magnitude lower) than smectic-C monolayers.
  • Findings provide insights into 2D LC systems and their potential relevance to bulk liquid crystal behavior.