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Computer Simulation of Liquid Crystals

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Computer Simulations in Condensed Matter Systems: From Materials to Chemical Biology Volume 2

Part of the book series: Lecture Notes in Physics ((LNP,volume 704))

Abstract

This chapter describes some of the simulation methods that are used to investigate the properties of liquid crystals. Orientational elasticity, one of the characteristic features of liquid crystals, may be studied through equilibrium wave-vector-dependent fluctuations, or by directly deforming the director field via imposed boundary conditions. This leads to investigations of surface anchoring coefficients and the helical twisting power of chiral dopants. Interfacial properties such as surface tension may be studied using standard methods, but the orientational ordering of liquid crystals leads to a richer behaviour than is seen for simple fluids. Finally, simulations of macroparticles suspended in liquid crystalline solvents may provide information about the defect structure on the molecular scale, and help to make contact with larger-scale modelling methods and with experiment.

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Author information

Authors and Affiliations

  1. Department of Physics and Centre for Scientific Computing, University of Warwick, CV47AL, Coventry, United Kingdom

    M.P. Allen

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  1. M.P. Allen
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Editors and Affiliations

  1. Dipartimento di Fisica, Università di Modena e Reggio Emilia, Via Campi, 213/A, 41100, Modena, Italy

    Mauro Ferrario Professor

  2. Dipartimento di Fisica, INFN, Università di Roma La Sapienza, Piazzale Aldo Moro 2, 00185, Roma, Italy

    Giovanni Ciccotti Professor

  3. Institut für Physik, Universität Mainz, Staudinger Weg 7, 55128, Mainz, Germany

    Kurt Binder Professor

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Allen, M. (2006). Computer Simulation of Liquid Crystals. In: Ferrario, M., Ciccotti, G., Binder, K. (eds) Computer Simulations in Condensed Matter Systems: From Materials to Chemical Biology Volume 2. Lecture Notes in Physics, vol 704. Springer, Berlin, Heidelberg. https://doi.org/10.1007/3-540-35284-8_9

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