Advances in the Computer Simulatons of Liquid Crystals / Edition 1

by Paolo Pasini, Claudio Zannoni

Overview

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.

Product Details

ISBN-13:	9780792360995
Publisher:	Springer Netherlands
Publication date:	12/31/1999
Series:	Nato Science Series C: , #545
Edition description:	Softcover reprint of the original 1st ed. 2000
Pages:	427
Product dimensions:	6.10(w) x 9.17(h) x (d)

Table of Contents

1 Introduction to simulations and statistical mechanics.- 2 Liquid crystal observables: static and dynamic properties.- 3 Phase behavior of lyotropic liquid crystals.- 4 Modelling liquid crystal structure, phase behaviour and large-scale phenomena.- 5 Liquid crystal lattice models I. Bulk systems.- 6 Liquid crystal lattice models II. Confined systems.- 7 Computer simulation of lyotropic liquid crystals as models of biological membranes.- 8 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.- 9 Self atom-atom empirical potentials for the static and dynamic simulation of condensed phases.- 10 Atomistic modelling of liquid crystal phases.- 11 Atomistic simulation and modeling of smectic liquid crystals.- 12 Multiple time steps algorithms for the atomistic simulations of complex molecular systems.- 13 Parallel molecular dynamics techniques for the simulation of anisotropic systems.