English

Biaxial nematic order in fundamental measure theory

Soft Condensed Matter 2025-03-28 v3 Statistical Mechanics

Abstract

Liquid crystals consisting of biaxial particles can exhibit a much richer phase behavior than their uniaxial counterparts. Usually, one has to rely on simulation results to understand the phase diagram of these systems, since very few analytical results exist. In this work, we apply fundamental measure theory, which allows us to derive free energy functionals for hard particles from first principles and with high accuracy, to systems of hard cylinders, cones and spherotriangles. We provide a general recipe for incorporating biaxial liquid crystal order parameters into fundamental measure theory and use this framework to obtain the phase boundaries for the emergence of orientational order in the considered systems. Our results provide insights into the phase behavior of biaxial nematic liquid crystals and, in particular, into methods for their analytical investigation.

Keywords

Cite

@article{arxiv.2311.07500,
  title  = {Biaxial nematic order in fundamental measure theory},
  author = {Anouar El Moumane and Michael te Vrugt and Hartmut Löwen and René Wittmann},
  journal= {arXiv preprint arXiv:2311.07500},
  year   = {2025}
}

Comments

the final version [v3] corrects a few typos in the previous [v2] and published versions: in Eqs. (6) and (25); after Eq. (A7); in Eqs. (B13) and (B14); before and in Eq. (B16); in Eqs. (B19) and (B20)