Crystal nucleation of colloidal hard dumbbells.
Using computer simulations, we investigate the homogeneous crystal nucleation in suspensions of colloidal hard dumbbells. The free energy barriers are determined by Monte Carlo simulations using the umbrella sampling technique. We calculate the nucleation rates for the plastic crystal and the aperiodic crystal phase using the kinetic prefactor as determined from event driven molecular dynamics simulations. We find good agreement with the nucleation rates determined from spontaneous nucleation events observed in event driven molecular dynamics simulations within error bars of one order of magnitude. We study the effect of aspect ratio of the dumbbells on the nucleation of plastic and aperiodic crystal phases, and we also determine the structure of the critical nuclei. Moreover, we find that the nucleation of the aligned close-packed crystal structure is strongly suppressed by a high free energy barrier at low supersaturations and slow dynamics at high supersaturations.
Soft Condensed Matter, Debye Institute for NanoMaterials Science, Utrecht University, Princetonplein 5, 3584CC Utrecht, The Netherlands. r.ni@uu.nl
Ran
R
Ni
Marjolein
M
Dijkstra
D003102:Colloids / Q000737:chemistry*; D003460:Crystallization; D056004:Molecular Dynamics Simulation; D009010:Monte Carlo Method
D003102:Colloids