Phase diagram of trivalent and pentavalent patchy particles

J Phys Condens Matter. 2012 Feb 15;24(6):064113. doi: 10.1088/0953-8984/24/6/064113. Epub 2012 Jan 25.

Abstract

We compute the equilibrium phase diagram of two simple models for patchy particles with three and five patches in a very broad range of pressure and temperature. The phase diagram presents low-density crystal structures which compete with the fluid phase. The phase diagram of the five-patch model shows re-entrant melting, in analogy with the previously studied four-patch case, a metastable gas-liquid critical point and a stable, high-density liquid. The three-patch model shows a stable gas-liquid critical point and, in the region of temperatures where equilibration is numerically feasible, a stable liquid phase, suggesting the possibility that in this small valence model the liquid retains its thermodynamic stability down to the vanishing range limit.

Publication types

  • Research Support, Non-U.S. Gov't