Advances in the Computer Simulatons of Liquid Crystals

1. Front Matter

   Pages i-xiv

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2. Introduction to Simulations and Statistical Mechanics

   • Michael P. Allen

   Pages 1-16

3. Liquid Crystal Observables: Static and Dynamic Properties

   • Claudio Zannoni

   Pages 17-50

4. Phase Behavior of Lyotropic Liquid Crystals

   • D. Frenkel

   Pages 51-72

5. Modelling Liquid Crystal Structure, Phase Behaviour and Large-Scale Phenomena

   • Michael P. Allen

   Pages 73-97

6. Liquid Crystal Lattice Models I. Bulk Systems

   • Paolo Pasini, Cesare Chiccoli, Claudio Zannoni

   Pages 99-119

7. Liquid Crystal Lattice Models II. Confined Systems

   • Paolo Pasini, Cesare Chiccoli, Claudio Zannoni

   Pages 121-138

8. Computer Simulation of Lyotropic Liquid Crysta as Models of Biological Membranes

   • Ole G. Mouritsen

   Pages 139-187

9. Flow Properties and Structure of Anisotropic Fluids Studied by Non-Equilibrium Molecular Dynamics, and Flow Properties of other Complex Fluids: Polymeric Liquids, Ferro-Fluids and Magneto-Rheological Fluids

   • Siegfried Hess

   Pages 189-233

10. Self Atom-Atom Empirical Potentials for the Static and Dynamic Simulation of Condensed Phases

    • A. Gavezzotti, G. Filippini

    Pages 235-250

11. Atomistic Modelling of Liquid Crystal Phases

    • M. R. Wilson, M. J. Cook, C. McBride

    Pages 251-262

12. Atomistic Simulation and Modeling of Smectic Liquid Crystals

    • Matthew A. Glaser

    Pages 263-331

13. Multiple Time Steps Algorithms for the Atomistic Simulations of Complex Molecular Systems

    • Piero Procacci, Massimo Marchi

    Pages 333-387

14. Parallel Molecular Dynamics Techniques for the Simulation of Anisotropic Systems

    • M. R. Wilson

    Pages 389-415

15. Back Matter

    Pages 417-427

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Computer simulations provide an essential set of tools for understanding the macroscopic properties of liquid crystals and of their phase transitions in terms of molecular models. While simulations of liquid crystals are based on the same general Monte Carlo and molecular dynamics techniques as are used for other fluids, they present a number of specific problems and peculiarities connected to the intrinsic properties of these mesophases.
The field of computer simulations of anisotropic fluids is interdisciplinary and is evolving very rapidly. The present volume covers a variety of techniques and model systems, from lattices to hard particle and Gay-Berne to atomistic, for thermotropics, lyotropics, and some biologically interesting liquid crystals. Contributions are written by an excellent panel of international lecturers and provides a timely account of the techniques and problems in the field.

• complex fluid
• crystal
• crystal structure
• phase transition
• polymer
• structure

• Sezione di Bologna, Istituto Nazionale di Fisica Nucleare, Bologna, Italy

  Paolo Pasini

• Dipartimento di Chimica Fisica ed Inorganica, Università di Bologna, Bologna, Italy

  Claudio Zannoni

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