References of "Frenkel, Daan"
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See detailNucleation in suspensions of anisotropic colloids
Schilling, Tanja UL; Frenkel, Daan

in Computer Physics Communications (2005), 169(1-3), 117-121

We report Monte Carlo studies of liquid crystal nucleation in two types of anisotropic colloidal systems: hard rods and hard ellipsoids. In both cases we find that nucleation pathways differ strongly from ... [more ▼]

We report Monte Carlo studies of liquid crystal nucleation in two types of anisotropic colloidal systems: hard rods and hard ellipsoids. In both cases we find that nucleation pathways differ strongly from the pathways in systems of spherical particles. Short hard rods show an effect of self-poisoning. This part of the article is based on a previous publication [T. Schilling, D. Frenkel, Self-poisoning of crystal nuclei in hard-rod liquids, Phys. Rev. Lett. 92 (2004) 085505]. When a crystallite forms, its surfaces are covered preferentially by rods which align perpendicular to the surface. Therefore subsequent growth is stunted. Hard, almost spherical ellipsoids can be compressed to very high densities without crystallization—in contrast to hard spheres, which crystallize easily. When forced to crystallize, ellipsoids form very loosely aggregated nuclei. In both cases nucleation pathways are complex and it is therefore difficult to define an appropriate reaction coordinate. The common strategies of investigation of nucleation problems (i.e. definition of a coordinate and then sampling barrier crossing with well-known techniques) fail in these systems. [less ▲]

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See detailMonte Carlo study of hard pentagons
Schilling, Tanja UL; Pronk, S.; Mulder, B. et al

in Physical Review. E : Statistical, Nonlinear, and Soft Matter Physics (2005), 71(3),

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See detailSelf-Poisoning of Crystal Nuclei in Hard-Rod Liquids
Schilling, Tanja UL; Frenkel, Daan

in Physical Review Letters (2004), 92(8),

We report a Monte Carlo study of the pathway for crystal nucleation in a fluid of hard, colloidal rods. In the earliest stages of nucleation, a lamellar crystallite forms. Subsequent thickening of this ... [more ▼]

We report a Monte Carlo study of the pathway for crystal nucleation in a fluid of hard, colloidal rods. In the earliest stages of nucleation, a lamellar crystallite forms. Subsequent thickening of this lamella is hampered by the fact that the top and bottom surfaces of this crystallite are preferentially covered by rods that align parallel to the surface. As a consequence, subsequent growth of individual crystals is stunted. Experimental evidence for such stunted crystal growth has recently been reported by Maeda and Maeda in experiments on suspensions of colloidal rods [Phys. Rev. Lett. 90, 018303 (2003)]. The simulations suggest that, in experiments, the growth of multilayer colloidal crystals can be selectively enhanced by the application of an external aligning field. [less ▲]

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See detailSelf-poisoning of crystal nuclei in hard-rod liquids
Schilling, Tanja UL; Frenkel, Daan

in Journal of Physics : Condensed Matter (2004), 16(19), 2029-2036

We report a Monte Carlo study of the pathway for crystal nucleation in a fluid of hard, colloidal rods. In the earliest stages of nucleation, a lamellar crystallite forms. Subsequent thickening of this ... [more ▼]

We report a Monte Carlo study of the pathway for crystal nucleation in a fluid of hard, colloidal rods. In the earliest stages of nucleation, a lamellar crystallite forms. Subsequent thickening of this lamella is hampered by the fact that the top and bottom surfaces of this crystallite are preferentially covered by rods that align parallel to the surface. As a consequence, subsequent growth of individual crystals is stunted. Experimental evidence for such stunted crystal growth has recently been reported by Maeda and Maeda in experiments on suspensions of colloidal rods [Phys. Rev. Lett. 90, 018303 (2003)]. The simulations suggest that, in experiments, the growth of multilayer colloidal crystals can be selectively enhanced by the application of an external aligning field. [less ▲]

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See detailSmectic filaments in colloidal suspensions of rods
Frenkel, Daan; Schilling, Tanja UL

in Physical Review. E : Statistical, Nonlinear, and Soft Matter Physics (2002), 66(4),

In supersaturated isotropic mixtures of hard rods, smectic filaments have recently been observed. We propose a model for formation and growth of these filaments similar to the Hoffman-Lauritzen model for ... [more ▼]

In supersaturated isotropic mixtures of hard rods, smectic filaments have recently been observed. We propose a model for formation and growth of these filaments similar to the Hoffman-Lauritzen model for polymer crystallization. Filament thickness is determined by a compromise between maximizing the amount of smectic phase formed and minimizing the nucleation barrier for adding new segments to the growing filament. We compare our analytical results to kinetic Monte Carlo simulations. [less ▲]

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