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Determination of the symmetry classes of orientational ordering tensors

Published 20 Feb 2016 in cond-mat.soft | (1602.06413v2)

Abstract: The orientational order of nematic liquid crystals is traditionally studied by means of the second-rank ordering tensor $\mathbb{S}$. When this is calculated through experiments or simulations, the symmetry group of the phase is not known \emph{a-priori}, but needs to be deduced from the numerical realisation of $\mathbb{S}$, which is affected by numerical errors. There is no generally accepted procedure to perform this analysis. Here, we provide a new algorithm suited to identifying the symmetry group of the phase. As a by product, we prove that there are only five phase-symmetry classes of the second-rank ordering tensor and give a canonical representation of $\mathbb{S}$ for each class. The nearest tensor of the assigned symmetry is determined by group-projection. In order to test our procedure, we generate uniaxial and biaxial phases in a system of interacting particles, endowed with $D_{\infty h}$ or $D_{2h}$, which mimic the outcome of Monte-Carlo simulations. The actual symmetry of the phases is correctly identified, along with the optimal choice of laboratory frame.

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