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1 results

  • 6 - Dynamics and Dynamical Properties

  • Claudio Zannoni
  • Book:
    Liquid Crystals and their Computer Simulations
    Published online:
    21 July 2022
    Print publication:
    28 July 2022, pp 288-331

  • Summary

    The dynamic evolution of a classic molecular system is first introduced formally via Liouville equation. Then, single-particle time correlation functions and their general properties (like short and long time limits) for orientational correlation functions (OCF) in liquid crystals are discussed and translational and orientational diffusion coefficients are introduced. The link between OCFs, obtainable from computer simulations, and experiments is established with Linear Response theory and examples from dielectric relaxation, ionic and thermal conductivity, viscosities are presented, with reference to the literature. The rotational diffusion equation in an anisotropic fluid, normally employed to analyze experiments is also introduced, with explicit expressions derived for Fluorescence Depolarization.