Dynamics of polymer packaging.
J Chem Phys 121:17 (2004) 8635-8641
Abstract:
We use the stochastic rotation dynamics algorithm to investigate the packaging of flexible and semiflexible polymers into a capsid that is permeable to solvent molecules. The model takes into account hydrodynamic interactions arising due to local flow. The flexible chain maintains a random configuration as it is being fed into the capsid, in contrast to the semiflexible chain, whose configuration is initially spool-like, becoming more random at high packing. We measure the packing rate, which is found to decrease with the percentage of the chain packed and highlight the difference between the flexible and semiflexible chains. Reflecting experiments, we find pauses in the packing process for individual chains as the motor loses grip of the fluctuating beads. We also find that hydrodynamics is important, in that the packaging rate is faster when flow is included.Stripe formation in differentially forced binary systems.
Phys Rev Lett 93:11 (2004) 118001
Abstract:
We consider pattern formation in periodically forced binary systems. In particular, we focus on systems in which the two species are differentially forced, one being accelerated with respect to the other. Using a continuum model consisting of two isothermal ideal gases which interact via a frictional force we demonstrate analytically that stripes form spontaneously above a critical forcing amplitude. The wavelength of the stripes is found to be close to the wavelength of sound in the limit of small viscosity. The results are confirmed numerically. We suggest that the same mechanism may contribute to the formation of stripes in experiments on horizontally oscillated granular mixtures.Lattice Boltzmann algorithm for three-dimensional liquid-crystal hydrodynamics
PHILOS T ROY SOC A 362:1821 (2004) 1745-1754
Abstract:
We describe a lattice Boltzmann algorithm to simulate liquid-crystal hydrodynamics in three dimensions. The equations of motion are written in terms of a tensor order parameter. This allows both the isotropic and the nematic phases to be considered. Backflow effects and the hydrodynamics of topological defects are naturally included in the simulations, as are viscoelastic effects such as shear-thinning and shear-banding. We describe the implementation of velocity boundary conditions and show that the algorithm can be used to describe optical bounce in twisted nematic devices and secondary flow in sheared nematics with an imposed twist.Lattice Boltzmann modelling of droplets on chemically heterogeneous surfaces
FUTURE GENER COMP SY 20:6 (2004) 993-1001