English

Phase behaviour of hard cylinders

Soft Condensed Matter 2021-03-31 v1

Abstract

Using isobaric Monte Carlo simulations, we map out the entire phase diagram of a system of hard cylindrical particles of length LL and diameter DD, using an improved algorithm to identify the overlap condition between two cylinders. Both the prolate L/D>1L/D>1 and the oblate L/D<1L/D<1 phase diagrams are reported with no solution of continuity. In the prolate L/D>1L/D>1 case, we find intermediate nematic \textrm{N} and smectic \textrm{SmA} phases in addition to a low density isotropic \textrm{I} and a high density crystal \textrm{X} phase, with \textrm{I-N-SmA} and \textrm{I-SmA-X} triple points. An apparent columnar phase \textrm{C} is shown to be metastable as in the case of spherocylinders. In the oblate L/D<1L/D<1 case, we find stable intermediate cubatic \textrm{Cub}, nematic \textrm{N}, and columnar \textrm{C} phases with \textrm{I-N-Cub}, \textrm{N-Cub-C}, and \textrm{I-Cub-C} triple points. Comparison with previous numerical and analytical studies is discussed. The present study, accounting for the explicit cylindrical shape, paves the way to more sophisticated models with important biological applications, such as viruses and nucleosomes.

Keywords

Cite

@article{arxiv.2102.10883,
  title  = {Phase behaviour of hard cylinders},
  author = {Joyce T. Lopes and Flavio Romano and Eric Grelet and Luis F. M. Franco and Achille Giacometti},
  journal= {arXiv preprint arXiv:2102.10883},
  year   = {2021}
}

Comments

16 pages, 16 figures, JCP in press. Supplementary material has been included as Appendix B

R2 v1 2026-06-23T23:23:29.728Z