41 research outputs found
Crystallization of hard aspherical particles
We use numerical simulations to study the crystallization of monodisperse
systems of hard aspherical particles. We find that particle shape and
crystallizability can be easily related to each other when particles are
characterized in terms of two simple and experimentally accessible order
parameters: one based on the particle surface-to-volume ratio, and the other on
the angular distribution of the perturbations away from the ideal spherical
shape. We present a phase diagram obtained by exploring the crystallizability
of 487 different particle shapes across the two-order-parameter spectrum.
Finally, we consider the physical properties of the crystalline structures
accessible to aspherical particles, and discuss limits and relevance of our
results.Comment: 4 pages, 3 figures. Published in the Journal of Chemical Physics
Activity-Enhanced Self-Assembly of a Colloidal Kagome Lattice
Here, we describe a method for the enhanced self-assembly of triblock Janus
colloids targeted to form a kagome lattice. Using computer simulations, we
demonstrate that the formation of this elusive structure can be significantly
improved by self-propelling or activating the colloids along the axis
connecting their hydrophobic hemispheres. The process by which metastable
aggregates are destabilized and transformed into the favored kagome lattice is
quite general, and we argue this active approach provides a systematic pathway
to improving the self-assembly of a large number of colloidal structures.Comment: 14 pages, Supporting Information available via ACS Website. Journal
of the American Chemical Society (2019
Exploiting classical nucleation theory for reverse self-assembly
In this paper we introduce a new method to design interparticle interactions
to target arbitrary crystal structures via the process of self-assembly. We
show that it is possible to exploit the curvature of the crystal nucleation
free-energy barrier to sample and select optimal interparticle interactions for
self-assembly into a desired structure. We apply this method to find
interactions to target two simple crystal structures: a crystal with simple
cubic symmetry and a two-dimensional plane with square symmetry embedded in a
three-dimensional space. Finally, we discuss the potential and limits of our
method and propose a general model by which a functionally infinite number of
different interaction geometries may be constructed and to which our reverse
self-assembly method could in principle be applied.Comment: 7 pages, 6 figures. Published in the Journal of Chemical Physic
Mechanism of membrane tube formation induced by adhesive nanocomponents
We report numerical simulations of membrane tubulation driven by large
colloidal particles. Using Monte Carlo simulations we study how the process
depends on particle size, concentration and binding strength, and present
accurate free energy calculations to sort out how tube formation compares with
the competing budding process. We find that tube formation is a result of the
collective behavior of the particles adhering on the surface, and it occurs for
binding strengths that are smaller than those required for budding. We also
find that long linear aggregates of particles forming on the membrane surface
act as nucleation seeds for tubulation by lowering the free energy barrier
associated to the process