Percolation Revisited

Scientific Conference (2015, September)

Non-universal Voronoi cell shapes in amorphous ellipsoid packs

in Europhysics Letters (2015), 111

Percolation in suspensions of polydisperse hard rods: Quasi universality and finite-size effects

in Journal of Chemical Physics (2015), 143(4), 044901

We present a study of connectivity percolation in suspensions of hard spherocylinders by means of Monte Carlo simulation and connectedness percolation theory. We focus attention on polydispersity in the ... [more ▼]

We present a study of connectivity percolation in suspensions of hard spherocylinders by means of Monte Carlo simulation and connectedness percolation theory. We focus attention on polydispersity in the length, the diameter, and the connectedness criterion, and we invoke bimodal, Gaussian, and Weibull distributions for these. The main finding from our simulations is that the percolation threshold shows quasi universal behaviour, i.e., to a good approximation, it depends only on certain cumulants of the full size and connectivity distribution. Our connectedness percolation theory hinges on a Lee-Parsons type of closure recently put forward that improves upon the often-used second virial approximation [T. Schilling, M. Miller, and P. van der Schoot, e-print arXiv:1505.07660 (2015)]. The theory predicts exact universality. Theory and simulation agree quantitatively for aspect ratios in excess of 20, if we include the connectivity range in our definition of the aspect ratio of the particles. We further discuss the mechanism of cluster growth that, remarkably, differs between systems that are polydisperse in length and in width, and exhibits non-universal aspects. [less ▲]

Dissipation in a crystallization process

Presentation (2015, June)

Crystallization and Percolation Revisited

Presentation (2015, April)

Crystallization seen from a non-equilibrium point of view

Presentation (2015, January)

Absolute Free Energies for Biomolecules in Implicit or Explicit Solvent

in Physics Procedia (2014), 57

Crystallization in colloidal suspensions

Presentation (2014, November)

Crystallization in colloidal suspensions

Presentation (2014, October)

Crystal growth from a supersaturated melt: Relaxation of the solid-liquid dynamic stiffness

in Journal of Chemical Physics (2014), 141

We discuss the growth process of a crystalline phase out of a metastable over-compressed liquid that is brought into contact with a crystalline substrate. The process is modeled by means of molecular ... [more ▼]

We discuss the growth process of a crystalline phase out of a metastable over-compressed liquid that is brought into contact with a crystalline substrate. The process is modeled by means of molecular dynamics. The particles interact via the Lennard-Jones potential and their motion is locally thermalized by Langevin dynamics. We characterize the relaxation process of the solid-liquid interface, showing that the growth speed is maximal for liquid densities above the solid coexistence density, and that the structural properties of the interface rapidly converge to equilibrium-like properties. In particular, we show that the off-equilibrium dynamic stiffness can be extracted using capillary wave theory arguments, even if the growth front moves fast compared to the typical diffusion time of the compressed liquid, and that the dynamic stiffness converges to the equilibrium stiffness in times much shorter than the diffusion time. [less ▲]