Erratum: “Crystallization in glassy suspensions of hard ellipsoids” [J. Chem. Phys. 139, 124508 (2013)]

Abstract

Erratum: "Distribution of distances between DNA barcode labels in nanochannels close to the persistence length" [J.

Mixtures of anisotropic and spherical colloids: Phase behavior, confinement, percolation phenomena and kinetics

“…6a), in systems of hard ellipsoids crystallization is more difficult, and then one can bring the disordered fluid deeper into the thermodynamically unstable region, where crystallization proceeds without the need of crossing high free energy barriers by nucleation events, but is nevertheless slow because such a strongly overcompressed system is close to its glass transition. For weaker overcompression, one can also observe the standard nucleation and growth scenario [21], similar to the hard sphere case just discussed, but this is out of our scope here. For systems of monodisperse ellipsoids with aspect ratio a/b = 1.25, the equilibrium phase diagram has been established [66][67][68] and also the presence of a glass transition has been demonstrated [70].…”

“…For systems of monodisperse ellipsoids with aspect ratio a/b = 1.25, the equilibrium phase diagram has been established [66][67][68] and also the presence of a glass transition has been demonstrated [70]. For dense ellipsoids, hydrodynamics of the solvent clearly does not matter, and hence on a qualitative level the dynamics of a dense system of ellipsoids can be very well modeled simply by single particle Monte Carlo (MC) moves [21]. These moves consisted of random displacements of the center of mass of the particles (up to 0.03 particle diameters for elementrary MC step) and random rotations of the particle axis (up to 1.8 o ).…”

“…While one finds that for moderate overcompression (P * = 27) the crystallization kinetics still is similar to the standard nucleation mechanism of the previous section, for strong overcompression (P * = 40) the situation is different, crystallization sets in immediately, and huge crystalline regions form without the need of substantial diffusion of the particles. The crystal phase is found to rapidly form a percolating network, despite the approach to glassy dynamics [21]. In this context it is natural to ask whether the specific aspects of glassy dynamics then affect crystallization.…”

“…(b) Incoherent dynamic struc-ture factor F (q max , t) for wave-numbers q chosen at the maximum q max of the coherent static structure factor versus time, for four pressures P * as indicated. From Dorosz and Schilling[21]. Mobility in the surrounding liquid (circles) in comparison to the mobility of particles that are going to crystallize (squares) and of the particles at the surface of the crystal, once the crystallite has formed (crosses).…”

Second virial coefficient of rod-shaped molecules and molecular dynamics simulations of the isotropic phase

“…FMDFT has been tested for nonconvex bodies, in particular, hard dumbbells [26], which as this work is concerned with fused sphere rods is relevant to the present study. Dorosz and Schilling performed molecular dynamics simulations of crystallization of glassy suspensions of hard ellipsoids [27], The focus here is mainly on rod assemblies at much lower concentrations, where the second virial coefficient could be considered to dominate the system thermodynamics.…”