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Phys Rev E. 2019 Aug;100(2):022702. doi: 10.1103/PhysRevE.100.022702.

Molecular theory of a ferromagnetic nematic liquid crystal.

Physical review. E

Immanuel S Geier, Stefanie M Wandrei, Robert A Skutnik, Martin Schoen

Affiliations

  1. Stranski-Laboratorium für Physikalische und Theoretische Chemie, Fakultät für Mathematik und Naturwissenschaften, Technische Universität Berlin, Straße des 17. Juni 115, 10623 Berlin, Germany.
  2. Department of Chemical Engineering, Imperial College London, South Kensington Campus, London SW7 2AZ, United Kingdom.
  3. Department of Chemical and Biomolecular Engineering, Engineering Building I, Box 7905, North Carolina State University, 911 Partners Way, Raleigh, North Carolina 27695, USA.

PMID: 31574629 DOI: 10.1103/PhysRevE.100.022702

Abstract

We employ a version of classical density functional theory to study the phase behavior of a simple model liquid crystal in an external field. The uniaxially symmetric molecules have a spherically symmetric core with superimposed orientation-dependent attractions. The interaction between the cores consists of a hard-sphere repulsion plus an isotropic square-well attraction. The anisotropic part of the interaction potential allows for the formation of a uniaxially symmetric nematic phase. The orientation of the molecules couples to an external polar field. The external field is capable of rotating the nematic director n[over ̂] in the x-z plane. The field is also capable of changing the topology of the phase diagram in that it suppresses the phase coexistence between an isotropic liquid and a nematic phase observed in the absence of the field. We study the transition from an unpolar to a polar nematic phase in terms of the orientation-distribution function (odf), nematic and polar order parameters, and components of n[over ̂]. If represented suitably the odf allows us to study orientational changes during the switching process between nonpolar and polar nematic phases. We also give a simple argument that explains why nematic order is lost whereas polar order persists up to the gas-liquid critical point along the coexistence curve. We also discuss the relevance of our theory for future experimental studies.

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