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Computer Simulations of Liquid Crystals and Polymers: by Cesare Chiccoli, Paolo Pasini, Gregor Skačej (auth.), Paolo

By Cesare Chiccoli, Paolo Pasini, Gregor Skačej (auth.), Paolo Pasini, Claudio Zannoni, Slobodan Žumer (eds.)

Liquid crystals, polymers and polymer liquid crystals are delicate condensed topic platforms of significant technological and clinical curiosity. An figuring out of the macroscopic homes of those advanced structures and in their many and engaging peculiarities on the molecular point can these days basically be attained utilizing computing device simulations and statistical mechanical theories. either within the Liquid Crystal and Polymer fields a large amount of simulation paintings has been performed within the previous few years with numerous periods of types at diversified specific resolutions, starting from atomistic to molecular and coarse-grained lattice types. all of the fields has constructed its personal set of instruments and really good strategies and the e-book goals to supply a cutting-edge evaluate of the pc simulation reviews of polymers and liquid crystals. this is often of significant significance in view of a possible cross-fertilization among those attached components that's quite obvious for a couple of experimental platforms like, e.g. polymer liquid crystals and anisotropic gels the place different fields inevitably merge. An attempt has been made to evaluate the chances of a coherent description of the subjects that experience built independently, and to check and expand the theoretical and computational options recommend within the diversified parts.

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Additional resources for Computer Simulations of Liquid Crystals and Polymers: Proceedings of the NATO Advanced Research Workshop on Computational Methods for Polymers and Liquid Crystalline Polymers Erice, Italy 16–22 July 2003

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2 (a) correspond to a series of polymer fibers whose surface morphology varies from smooth to rough and disordered, that is from {P2)g = 1 to {P2)g ~ 0. For perfect planar anchoring ||z the nematic director n is parallel to z. In this case (P|) becomes a direct measure for 5, the standard nematic order parameter, because n and z coincide. 0 [16], while close to the fiber there is an increase in {P^)-, reflecting the fiber-induced enhancement of nematic order. The characteristic length of the nematic order variation at the given T* roughly amounts to « 3a.

Representing the time and ensemble average over orientations of molecules (spins) within a given spherical layer. Contrary to 5, (P^B contains information on molecular ordering along a fixed direction — determined by the external field — and thereby reflects also spatial variations of the nematic director. Note also that the number of spins within a certain shell increases rapidly when moving from the droplet center towards the surface (from 8 spins in the central shell to 1392 spins in the outermost shell).

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