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Integral equation and simulation studies of a planar nematogenic liquid in crossed external fields

F Lado1, E Lomba2, C Martín2 and N G Almarza2

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We study a fluid of nematogenic molecules with centres of mass constrained to lie in a plane but with axes free to rotate in any direction. An external disorienting field perpendicular to the plane along with a second orienting field in the plane induce an in-plane order–disorder transition. We analyse the behaviour of this simple biaxial model using a well-established generalization of molecular integral equation methods built upon specially tailored basis functions that maintain orthogonality in the presence of anisotropy. Computer simulation and integral equation calculations predict an isotropic–nematic transition at low temperatures in zero field and an in-plane transition at somewhat higher temperatures in the presence of the disorienting field. The oriented states obtained in the presence of both fields can subsequently be used as input to uncover in detail first the transition in the absence of the in-plane orienting field and finally the spontaneous transition in the absence of any field. According to the simulation, the transition apparently belongs to the Berezinskii–Kosterlitz–Thouless defect-mediated type, whereas the theory reproduces a weak first-order transition.


PACS

64.70.M- Transitions in liquid crystals

64.60.Cn Order–disorder transformations

61.30.Jf Defects in liquid crystals

61.30.Gd Orientational order of liquid crystals; electric and magnetic field effects on order

61.30.Cz Molecular and microscopic models and theories of liquid crystal structure

Subjects

Soft matter, liquids and polymers

Condensed matter: structural, mechanical & thermal

Dates

Issue 19 (18 May 2005)

Received 14 January 2005, in final form 17 March 2005

Published 29 April 2005



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