Isotropic-nematic interface of soft spherocylinders

Muataz Al Barwani, Michael P. Allen

Research output: Contribution to journalArticle

Abstract

The isotropic-nematic interface of a simple model of liquid-crystal molecules has been investigated using computer simulation, and by numerical minimization of the Onsager free-energy functional. The molecules are represented by long spherocylindrical particles interacting via the Kihara potential. The agreement between simulation and theory is excellent, apart from the bulk coexistence densities which are over estimated by the theory. Planar alignment of the molecules at the interface is preferred in all cases. The number density profile is found to vary monotonically, both in simulation and in theory. Biaxiality of the molecular orientational distribution near the interface is demonstrated.

Original languageEnglish (US)
Pages (from-to)6706-6710
Number of pages5
JournalPhysical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics
Volume62
Issue number5
DOIs
StatePublished - Jan 1 2000
Externally publishedYes

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Molecules
molecules
Density Profile
Energy Functional
Coexistence
Liquid Crystal
Free Energy
Simulation
Alignment
Computer Simulation
simulation
computerized simulation
free energy
liquid crystals
alignment
Vary
optimization
profiles
Model

ASJC Scopus subject areas

  • Statistical and Nonlinear Physics
  • Statistics and Probability
  • Condensed Matter Physics

Cite this

Isotropic-nematic interface of soft spherocylinders. / Al Barwani, Muataz; Allen, Michael P.

In: Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics, Vol. 62, No. 5, 01.01.2000, p. 6706-6710.

Research output: Contribution to journalArticle

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