Simulation of Structure and Dynamics near the Isotropic-Nematic Transition

Michael P. Allen and Mark A. Warren
Phys. Rev. Lett. 78, 1291 – Published 17 February 1997
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Abstract

We present a computer simulation study of orientational correlations in a molecular liquid approaching the isotropic-nematic transition, including the first calculation of the direct correlation function c(1,2) in this regime. While the second-rank orientational correlation length diverges, the associated component of c(1,2) remains short ranged, and its spatial integral approaches the mechanical instability limit for the isotropic phase as predicted by density-functional theory. Orientational correlation lengths and times are quite well described by Landau–de Gennes theory.

  • Received 24 June 1996

DOI:https://doi.org/10.1103/PhysRevLett.78.1291

©1997 American Physical Society

Authors & Affiliations

Michael P. Allen and Mark A. Warren

  • H. H. Wills Physics Laboratory, Royal Fort, Tyndall Avenue, Bristol BS8 1TL, United Kingdom

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Vol. 78, Iss. 7 — 17 February 1997

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