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Phase Behavior of Bent-Core Molecules

Yves Lansac·Prabal K. Maiti·Noel A. Clark·Matthew A. Glaser
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Abstract

Recently, a new class of smectic liquid crystal phases (SmCP phases) characterized by the spontaneous formation of macroscopic chiral domains from achiral bent-core molecules has been discovered. We have carried out Monte Carlo simulations of a minimal hard spherocylinder dimer model to investigate the role of excluded volume interations in determining the phase behavior of bent-core materials and to probe the molecular origins of polar and chiral symmetry breaking. We present the phase diagram as a function of pressure or density and dimer opening angle $ψ$. With decreasing $ψ$, a transition from a nonpolar to a polar smectic phase is observed near $ψ= 167^{\circ}$, and the nematic phase becomes thermodynamically unstable for $ψ< 135^{\circ}$. No chiral smectic or biaxial nematic phases were found.

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Yves Lansac, Prabal K. Maiti, Noel A. Clark, Matthew A. Glaser. 2002-02-09. Phase Behavior of Bent-Core Molecules. https://doi.org/10.1103/physreve.67.011703

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