@article{KUBALA2022120156,
title = {In silico study of liquid crystalline phases formed by bent-shaped molecules with excluded volume type interactions},
journal = {Journal of Molecular Liquids},
volume = {367},
pages = {120156},
year = {2022},
issn = {0167-7322},
doi = {https://doi.org/10.1016/j.molliq.2022.120156},
url = {https://www.sciencedirect.com/science/article/pii/S0167732222016956},
author = {Kubala, P. and Tomczyk, W. and Cieśla, M.},
keywords = {Monte Carlo simulations, Molecular dynamics simulations, Liquid crystals, Bent-shaped molecules, Twist-bend nematic, Mirror symmetry breaking},
abstract = {What impact does the mesogens’ shape have on the formation of the liquid crystalline phase? Using Monte Carlo and molecular dynamics simulations we numerically studied a liquid composed of achiral, bent-shaped molecules built of tangent spheres. The system is known to spontaneously break mirror symmetry, as it forms a macroscopically chiral, twist-bend nematic phase [Phys. Rev. Lett. 115, 147801 (2015)]. We examined a full phase diagram by altering the molecules’ curvature along with packing fractions and observed several phases characterized by the orientational and/or translational ordering of molecules. Apart from conventional nematic, smectic A, and the aforementioned twist-bend nematic phase, we identified splay-bend smectic phase. For large densities and strongly curved molecules, another smectic phase emerged, where the polarization vector rotates within a single smectic layer.}
}

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