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Phys Rev Lett. 2002 Feb 11;88(6):065504. Epub 2002 Jan 25.

Induced anticlinic ordering and nanophase segregation of bow-shaped molecules in a smectic solvent.

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Department of Physics and Ferroelectric Liquid Crystal Material Research Center, University of Colorado, Boulder, Colorado 80309, USA.


Recent experiments indicate that doping low concentrations of bent-core molecules into calamitic smectic solvents can induce anticlinic and biaxial smectic phases. We have carried out Monte Carlo simulations of mixtures of rodlike molecules (hard spherocylinders with length/breadth ratio L(rod)/D = 5) and bow-shaped molecules (hard spherocylinder dimers with length/breadth ratio L(ban)/D = 5 or 2.5 and opening angle psi). We find that a low concentration ( 3%) of L(ban)/D = 5 dimers induces anticlinic ( SmC(A)) ordering in an untilted smectic ( SmA) phase for 100 < or = psi < 150. For L(ban)/D = 2.5, no tilted phases are induced. However, with decreasing psi we observe a sharp transition from intralamellar nanophase segregation (bow-shaped molecules segregated within smectic layers) to interlamellar nanophase segregation (bow-shaped molecules concentrated between smectic layers) near psi = 130.

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