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.

Phase diagram of trivalent and pentavalent patchy particles

ROMANO, Flavio;
2012-01-01

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.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/10278/3672786
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