Molecular simulation and theory of a liquid crystalline disclination core
D. Andrienko, M. P. Allen
Abstract
Molecular simulations of a nematic liquid crystal confined in cylinder geometry with homeotropic anchoring have been carried out. The core structure of a disclination line defect of strength +1 has been examined, and comparison made with various theoretical treatments, which are presented in a unified way. It is found that excellent fits to the cylindrically-symmetrized order tensor profiles may be obtained with appropriate parameter choices; notwithstanding this, on the timescales of the simulation, the cylindrical symmetry of the core is broken and two defects of strength +1/2 may be resolved.
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