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    Université de Fribourg

    Isotropic-nematic transition of self-propelled rods in three dimensions

    Bott, Matthias Christian ; Winterhalter, F. ; Marechal, Matthieu ; Sharma, Abhinav ; Brader, Joseph M. ; Wittmann, René

    In: Physical Review E, 2018, vol. 98, no. 1, p. 012601

    Using overdamped Brownian dynamics simulations we investigate the isotropic- nematic (IN) transition of self-propelled rods in three spatial dimensions. For two well- known model systems (Gay-Berne potential and hard spherocylinders) we find that turning on activity moves to higher densities the phase boundary separating an isotropic phase from a (nonpolar) nematic phase. This active IN phase...

    Université de Fribourg

    Fundamental measure theory for non-spherical hard particles: predicting liquid crystal properties from the particle shape

    Wittmann, René ; Marechal, Matthieu ; Mecke, Klaus

    In: Journal of Physics: Condensed Matter, 2016, vol. 28, no. 24, p. 244003

    Density functional theory (DFT) for hard bodies provides a theoretical description of the effect of particle shape on inhomogeneous fluids. We present improvements of the DFT framework fundamental measure theory (FMT) for hard bodies and validate these improvements for hard spherocylinders. To keep the paper self-contained, we first discuss the recent advances in FMT for hard bodies that lead...

    2 results 1