Density-functional study of the nematic-isotropic interface of hard spherocylinders

E. Velasco, L. Mederos, and D. E. Sullivan
Phys. Rev. E 66, 021708 – Published 19 August 2002
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Abstract

The Somoza-Tarazona density-functional theory is applied to the isotropic-nematic interface of hard spherocylinders with length (L)-to-diameter (D) ratios in the range L/D=520. Properties such as the density and orientational order-parameter profiles and the variation of interfacial tension with bulk nematic tilt angle agree qualitatively with results of previous studies at larger values of L/D using both computer simulation and the Onsager second-virial approximation. The minimum interfacial tension is obtained at a tilt angle of 90°. For values of L/D5, it is found that the Onsager approximation predicts a spurious minimum in the interfacial tension at small tilt angles.

  • Received 8 May 2002

DOI:https://doi.org/10.1103/PhysRevE.66.021708

©2002 American Physical Society

Authors & Affiliations

E. Velasco

  • Departamento de Física Teórica de la Materia Condensada and Instituto Nicolás Cabrera, Universidad Autónoma de Madrid, E-28049 Madrid, Spain

L. Mederos

  • Instituto de Ciencia de Materiales de Madrid, Consejo Superior de Investigaciones Científicas, E-28049 Madrid, Spain

D. E. Sullivan

  • Department of Physics and Guelph-Waterloo Physics Institute, University of Guelph, Guelph, Ontario, Canada N1G 2W1

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Vol. 66, Iss. 2 — August 2002

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