Fluid to solid transition of hard regular polygons

ORAL

Abstract

We perform simulations of hard regular polygons and determine the nature of the fluid to solid transition. Hard disks have a first order phase transition from fluid to hexatic and a continuous transition from hexatic to solid [1,2]. Hard polygons have shape and an additional degree of freedom. Directional entropic forces cause the polygons to attract edge to edge, which alters the phase transition. Polygons with enough edges have phase behavior similar to hard disks, with the density of the transition shifted lower. Polygons with few edges show a range of different behaviors. We develop and use HPMC [3] to run these simulations on the Titan supercomputer at the OLCF. HPMC is a scalable GPU-accelerated hard particle Monte Carlo simulation engine built on top of HOOMD-blue. [1] E. P. Bernard, W. Krauth, PRL 107, 155704 (2011). [2] M. Engel, J. A. Anderson, S. C. Glotzer, M. Isobe, E. P. Bernard, W. Krauth, PRE 87, 042134 (2013). [3] J. A. Anderson, M. E. Irrgang, S. C. Glotzer, arxiv:1509.04692

Authors

  • Joshua Anderson

    Univ of Michigan - Ann Arbor, Department of Chemical Engineering, University of Michigan - Ann Arbor

  • Michael Engel

    Department of Chemical Engineering, University of Michigan - Ann Arbor, University of Michigan, Chemical Engineering Department, University of Michigan

  • James Antonaglia

    Department of Physics, University of Michigan - Ann Arbor, University of Michigan

  • Jaime Millan

    University of Michigan, Northwestern University

  • Sharon C. Glotzer

    University of Michigan, Department of Chemical Engineering, University of Michigan - Ann Arbor, Univ of Michigan - Ann Arbor, Chemical Engineering Department, University of Michigan