SIMULATION OF NEMATIC FREE SURFACES

Enrique de Miguel () and Elvira Martín Del Río ()
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Enrique de Miguel: Departamento de Física Aplicada e Ingeniería Eléctrica, Universidad de Huelva, 21819 La Rábida (Huelva), Spain
Elvira Martín Del Río: Departamento de Física Aplicada e Ingeniería Eléctrica, Universidad de Huelva, 21819 La Rábida (Huelva), Spain

International Journal of Modern Physics C (IJMPC), 1999, vol. 10, issue 02n03, 431-443

Abstract: Molecular dynamics and Monte Carlo methods are applied to study the liquid free surfaces in model liquid crystals. The simulation results suggest that the attractive interactions promote parallel alignment of the molecules at the nematic free surface in the Gay–Berne model, in agreement with theoretical predictions. A change in the orientation from planar to homeotropic is observed and explained in terms of a competing effect between attractive and repulsive interactions. Finally, the simulation results give clear evidence that the hard-core repulsions favor homeotropic orientation at the nematic free surface, in agreement with most theories.

Keywords: Computer simulations; Liquid crystals; Interfaces (search for similar items in EconPapers)
Date: 1999
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DOI: 10.1142/S0129183199000322

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