Phase behavior of hard particles

Phase Behavior of Dispersions of Hard Spherical Particles

On the phase behavior of hard aspherical particles.

We use numerical simulations to understand how random deviations from the ideal spherical shape affect the ability of hard particles to form fcc crystalline structures. Using a system of hard spheres as a reference, we determine the fluid-solid coexistence pressures of both shape-polydisperse and monodisperse systems of aspherical hard particles. We find that when particles are sufficiently iso...

Phase behaviour of hard board-like particles.

We examine the phase behaviour of colloidal suspensions of hard board-like particles (HBPs) as a function of their shape anisotropy, and observe a fascinating spectrum of nematic, smectic, and columnar liquid-crystalline phases, whose formation is entirely driven by excluded volume effects. We map out the phase diagram of short and long HBPs by gradually modifying their shape from prolate to ob...

Phase diagram of hard snowman-shaped particles.

We present the phase diagram of hard snowman-shaped particles calculated using Monte Carlo simulations and free energy calculations. The snowman particles consist of two hard spheres rigidly attached at their surfaces. We find a rich phase behavior with isotropic, plastic crystal, and aperiodic crystal phases. The crystalline phases found to be stable for a given sphere diameter ratio correspon...

Phase diagram of hard asymmetric dumbbell particles

Using Monte Carlo simulations and free energy calculations, we study the phase behavior of hard asymmetric dumbbell particles with a constituent sphere diameter ratio of 0.5. We find a rich phase behavior with isotropic fluid, rotator, and periodic NaCl-based and both periodic and aperiodic CrB-based crystalline phases. The rotator phases found to be stable in this study are similar to those fo...