Molecular simulation of hierarchical structures in bent-core nematic liquid crystals.

作者: Stavros D. Peroukidis , Alexandros G. Vanakaras , Demetri J. Photinos

DOI: 10.1103/PHYSREVE.84.010702

关键词: Biaxial nematicLiquid crystalSymmetry (physics)AntiferroelectricityMonte Carlo methodPolarBent molecular geometryChemical physicsMaterials scienceContext (language use)Optics

摘要: The structure of nematic liquid crystals formed by bent-core mesogens (BCMs) is studied in the context Monte Carlo simulations a simple molecular model that captures symmetry, shape, and flexibility achiral BCMs. results indicate formation (i) clusters exhibiting local smectic order, orthogonal or tilted, with strong in-layer polar correlations antiferroelectric juxtaposition successive layers (ii) large homochiral domains through helical arrangement tilted clusters, while produce (untwisted) states.

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