By Michael P. Allen (auth.), Paolo Pasini, Claudio Zannoni (eds.)
Computer simulations offer a vital set of instruments for realizing the macroscopic homes of liquid crystals and in their part transitions by way of molecular versions. whereas simulations of liquid crystals are in accordance with an analogous normal Monte Carlo and molecular dynamics options as are used for different fluids, they current a few particular difficulties and peculiarities attached to the intrinsic homes of those mesophases.
the sphere of laptop simulations of anisotropic fluids is interdisciplinary and is evolving very swiftly. the current quantity covers quite a few innovations and version platforms, from lattices to not easy particle and Gay-Berne to atomistic, for thermotropics, lyotropics, and a few biologically fascinating liquid crystals. Contributions are written via an outstanding panel of overseas teachers and gives a well timed account of the thoughts and difficulties within the field.
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Additional info for Advances in the Computer Simulatons of Liquid Crystals
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0 (8) ...... 0 Figure 8. 40 (d) . 00 (b), 36 (80) The density g(z) will be sinusoidally varying in a smectic and essentially constant in a nematic, as we see for a Gay-Berne fluid of elongated particles in fig. 8 . 5. Thermodynamic observables The distribution functions introduced earlier on can be used to write down expressions for the various thermodynamic functions. Quite often these will be too complicated to be practically applicable as such but they nevertheless constitute the basis for approximate formulations or for algorithms to be used in computer simulations.