Phase behavior of the generalized chiral Lebwohl-Lasher model in bulk and confinement.

One of the simplest models that is used to study the isotropic-nematic tranition in liquid crystalline systems is the Lebwohl-Lasher model. Several extensions of this model further enhanced its applicability. We combine two of these extensions (a generalization and the inclusion of a chiral term) and study the phase behavior and the nature of phase transitions of the resulting generalized chiral Lebwohl-Lasher model using Monte Carlo simulations. We find that the type (and even the existence) of the transition depends on the combination of the width of the interaction potential, the strength of the chiral part of the interaction, and the geometry of the system. As well, the pitch of the cholesteric bulk phase changes on approaching the phase transition if the interaction width differs from the one of the original Lebwohl-Lasher model. Thus, we identify parameter combinations that allow one to tune the properties of the ordered phase and the nature of the order-disorder transition.

Thin smectic liquid crystalline fibrils of chiral rodlike particles.

Inspired by recent experimental work on virus-polymer mixtures, we study the properties of thin smectic fibrils composed of chiral rodlike particles using Monte Carlo simulations. Due to the interplay between surface energy, elastic deformation energy, and entropic effects, the fibril's layers relax into a twisted state. We focus our study on the layers' twist direction and map our results to the antiferromagnetic Ising model. In this view, the chiral interaction mimics an external field that drives the layers to have the same sense of twist. Besides, we determine the free energy difference and barrier height between an alternating and a nonalternating sequence of twisted layers composed of achiral rods and find that an alternating sequence is slightly preferred. We also see that the fibrils contract on increasing the chiral interaction strength and think that further studies on self-assembled functional materials can use our results.

Isotropic-nematic transition and cholesteric phases of helical Yukawa rods.

We present a Monte Carlo simulation study of helical Yukawa rods as a model for chiral liquid crystal mesogens. To simulate the cholesteric phase, we introduce a new simulation method that uses soft walls and self-determined boundary conditions. We observe that the isotropic-nematic phase transition is shifted to lower volume fractions with decreasing salt concentration as well as with increasing internal pitch of the rods. For particular sets of interaction parameters, the sense of the cholesteric pitch inverts, i.e., depending on concentration, mesogens of a given handedness can produce cholesteric phases of both chiral senses.

Active one-particle microrheology of an unentangled polymer melt studied by molecular dynamics simulation.

We present molecular dynamics simulations for active one-particle microrheology of an unentangled polymer melt. The tracer particle is forced to oscillate by an oscillating harmonic potential, which models an experiment using optical tweezers. The amplitude and phase shift of this oscillation are related to the complex shear modulus of the polymer melt. In the linear response regime at low frequencies, the active microrheology gives the same result as the passive microrheology, where the thermal motion of a tracer particle is related to the complex modulus. We expand the analysis to include full hydrodynamic effects instead of stationary Stokes friction only, and show that different approaches suggested in the literature lead to completely different results, and that none of them improves on the description using the stationary Stokes friction.

Temperature dependent micro-rheology of a glass-forming polymer melt studied by molecular dynamics simulation.

We present a Molecular Dynamics simulation study of a micro-rheological probing of the glass transition in a polymer melt. Our model system consists of short bead-spring chains and the temperature ranges from well above the glass transition temperature to about 10% above it. The nano-particle clearly couples to the slowing down of the polymer segments and the calculated storage and loss moduli reveal the approach to the glass transition. At temperatures close to the mode coupling Tc of the polymer melt, the micro-rheological moduli measure the local viscoelastic response of the cage of monomers surrounding the nano-particle and no longer reveal the true melt moduli. The incoherent scattering function of the nano-particle exhibits a stretched exponential decay, typical for the α-process in glass forming systems. We find no indication of a strong superdiffusive regime as has been deduced from a recent experiment in the same temperature range but for smaller momentum transfers.

Passive one-particle microrheology of an unentangled polymer melt studied by molecular dynamics simulation.

We present a molecular dynamics simulation study of the possibility of performing a microrheological analysis of a polymer melt by following the Brownian motion of a dispersed nanoparticle. We study the influence of the size of the nanoparticle, taken to be comparable to the radius of gyration of the chains, and of the strength of the interaction between the nanoparticle and the repeat units of the polymer chains. The influence of the presence of the nanoparticle on the melt mechanical behavior is analyzed, and the importance of effects of different levels of hydrodynamic analysis on the frequency-dependent dynamic shear modulus derived from the particle motion is worked out.

Outbreak of duck plague (duck herpesvirus enteritis) in numerous species of captive ducks and geese in temporal conjunction with enforced biosecurity (in-house keeping) due to the threat of avian influenza A virus of the subtype Asia H5N1.

The continuing westward spread of avian influenza A virus of the subtype H5N1 in free-living and domestic birds forced the European Union and the German federal government to enhance all biosecurity measures including in-house keeping of all captive birds from October 20 to December 15, 2005. Movement of captive ducks and geese of many different species from a free-range system to tight enclosures and maintenance for prolonged times in such overcrowded sheds resulted in pronounced disturbance of natural behaviour, interruption of mating and breeding activities and possibly additional stress. Under these conditions the birds developed signs of severe disease and enhanced mortality twentyfour days later. A total of 17 out of 124 (14%) adult birds and 149 out of 184 year-old birds (81 %) died during the outbreak. A herpesvirus was isolated from many organs of succumbed ducks and geese that was identified as a duck plague herpesvirus by cross neutralization test using known antisera against duck plague virus. The published host range of duck plague comprises 34 species within the order Anseriformes. We report here on additional 14 species of this order that were found to be susceptible to duck plague virus. The exact source of the herpesvirus could not identified. However, low antibody titres in some ducks at day of vaccination indicate that at least some of the birds were latently infected with a duck plague herpesvirus. The remaining healthy appearing birds were subcutaneously vaccinated with a modified live duck plague vaccine (Intervet, Boxmeer, NL) that stopped losses and resulted in seroconversion in most of the vaccinated birds.