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Long-range behaviour in liquid crystals by computer simulation

delete2000-04-01
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Michael P. Allen *
DOI:10.1016/S0167-7322(99)00172-5delete
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Abstract

Abstract

En 中文
Computer simulation provides a method of linking the microscopic details of molecular interactions with the much larger-scale phenomena of interest in bulk phases. Much of the interesting and useful behaviour of liquid crystals takes place in a regime which is reasonably well described by continuum theories, but consideration of molecular details is important, for example, in the vicinity of solid surfaces. This paper reviews recent work in which simulations have been used to study bulk liquid crystalline phase diagrams, large-scale fluctuations near phase transitions, and elastic deformation near surfaces, making links with the appropriate theories. (C) 2000 Elsevier Science B V. All rights reserved.
Keywords:
DENSITY-FUNCTIONAL THEORY
ISOTROPIC-NEMATIC TRANSITION
MONTE-CARLO SIMULATION
LEBWOHL-LASHER MODEL
GAY-BERNE FLUID
PHASE-BEHAVIOR
MOLECULAR SIMULATION
ELASTIC-CONSTANTS
HARD
COEXISTENCE
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Journal

Journal of Molecular Liquids cover
Journal of Molecular Liquids
IF:
5.2
Papers:
2.5W
Citations:
9.0W

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