The effect of particle geometry and initial configuration on the phase behavior of twisted convex n-prisms.

ABSTRACT

We study the phase behavior of twisted convex n-prisms with n = 3 and 4, via Monte Carlo simulations. Biaxial phases, in untwisted prisms, can be induced by choosing specific geometries of the prisms. However, due to the convexity of the twisted particles, a strong twisting disables the formation of biaxial phases and stabilizes uniaxial nematic and smectic phases. Using the increased volume of the twisted convex particles, we define an effective aspect ratio of the twisted prisms and find a homogeneous phase behavior across the geometry of the prisms' cross-section and even across different shapes of the cross-section. In this representation biaxial phases are found for large aspect ratios, while the low aspect ratio behavior can be compared to the hard cylinder phase diagram. For 3-prisms with a small base angle, we show the influence of the initial configuration; a polar initial configuration results in a (polar) splay nematic phase, whereas a non-polar initial configuration results in a biaxial phase.