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Monte Carlo study of the isotropic and nematic phases of infinitely thin hard platelets

Molecular Physics · 1984 · Vol. 52(6) · pp. 1303–1334
R. EppengaDaan Frenkel

Abstract

We present the results of a detailed Monte Carlo study of the phase diagram of infinitely thin hard platelets. A weak first order isotropicnematic transition is observed. The equation of state in the isotropic regime is compared with several current theories, none of which is found to be fully satisfactory. The density dependence of the nematic order parameter is found to be compatible with a ‘critical’ exponent β=0·25. A study of the fluctuations of the order parameter in the isotropic phase casts doubt on the applicability of the Landau-de Gennes expression for the free energy. We observe that the relation between the nematic order parameters <P 2> and <P 4> is compatible with the predictions of mean-field theory. Practical aspects of the computation are discussed. A novel method to compute the pressure in a constant-volume Monte Carlo run is presented.

Theoretical and Computational PhysicsMaterial Dynamics and PropertiesLiquid Crystal Research AdvancementsLiquid crystalMonte Carlo methodIsotropyStatistical physicsPhysicsPhase diagramExponentComputationCondensed matter physicsPhase transition
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700
FWCI
3.97
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25
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References
THE EFFECTS OF SHAPE ON THE INTERACTION OF COLLOIDAL PARTICLES
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<i>The Physics of Liquid Crystals</i>
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