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From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding
Published on: March 24, 2018
Role of stringlike, supramolecular assemblies in reentrant supernematic liquid crystals
Marco G Mazza1, Manuel Greschek, Rustem Valiullin
1Stranski-Laboratorium für Physikalische und Theoretische Chemie, Technische Universität Berlin, Berlin, Germany.
Abstract:
Using a combination of isothermal-isobaric Monte Carlo and microcanonical molecular dynamics we investigate the relation between structure and self-diffusion in various phases of a model liquid crystal using the Gay-Berne-Kihara potential. These molecules are confined to a mesoscopic slit pore with atomically smooth substrate surfaces. As reported recently [seeM. G. Mazza et al., Phys. Rev. Lett. 105, 227802 (2010)], a reentrant nematic (RN) phase may form at sufficiently high pressures and densities. This phase is characterized by a high degree of nematic order and a substantially enhanced self-diffusivity in the direction of the director n that exceeds that of the lower-density nematic and an intermittent smectic-A phase by about an order of magnitude. Here we demonstrate that the unique transport behavior in the RN phase may be linked to a confinement-induced packing effect that causes the formation of supramolecular, stringlike conformations. The strings consist of several molecules traveling in the direction of n as individual "trains" consisting of chains of molecular "cars."
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