Multiple time step update schemes for dissipative particle dynamics

In dynamical simulations of coarse-grained models of soft matter in a solvent a considerable amount of the total simulation time is generically spent on updating the solvent particles, although their dynamics is in most cases not of primary interest. In order to speed up such simulations and as a consequence allow to extend them to cover larger system sizes, we propose and examine various multiple, specifically dual, time step update algorithms for dissipative particle dynamics simulations that are based on the velocity-Verlet scheme [Phys. Rev. 159, 98 (1967)]. Common to all update variants is that the solvent beads are updated with a lower frequency than the bonded interactions within the solute. As a test case we consider a coarse-grained model of a lipid bilayer in water. Our results demonstrate that a considerable saving of simulation time can be gained, while the obtained simulation data are within error brackets virtually identical to those obtained for the reference single time step update scheme.     

Critical Reynolds number and galloping instabilities: experiments on circular cylinders

The current paper considers large galloping-like vibrations of circular cylinders, generically inclined and yawed to the flow. The case of a round section prone to galloping is seemingly a paradox since rotational symmetry (or close to it) and classical galloping are apparently contradictory. Still there seems to be a range of wind speeds far from those for typical Kármán vortex shedding resonance where such a phenomenon does occur. Experimental results from both static and dynamic large-scale rigid cable models, presented here, show that this range coincides with the critical Reynolds number regime, where notable symmetry-breaking characteristics such as nonzero mean lift emerge. It is shown that a fundamental difference between the inclined and non-inclined cylinder aerodynamics may exist accommodating different pressure distributions and different resulting dynamic behaviours. Unsteady pressure measurements showing avalanche-like “jumps” and vortex dislocations building between cell structures in the cylinder spanwise direction are conjectured to be a key element in the unstable behaviour experienced.     

Multi-fluid modeling of density segregation in a dense binary fluidized bed

This paper presents simulation results of the density segregation in a dense binary gas fluidized bed using a multi-fluid model from Chao et al. (2011). The segregation behavior of two types of particles with approximately same particle diameters and different particle densities was studied and validated using the experimental data from Formisani et al. (2008). Some detailed information regarding the gas, particle velocity profiles, the distributions of the particle volume fractions and the flotsam-to-total particle volume fraction ratios is presented. The simulation results show that the simulated axial average flotsam-to-total particle volume fraction ratio distribution agrees reasonably with the experimental data of Formisani et al. (2008). The binary particle velocities are closely coupled though the segregation exists. The segregation behavior and the particle velocity profiles are superficial gas velocity dependent. The number and distribution of particle velocity vortices change dramatically with superficial gas velocity: at a comparatively low superficial gas velocity, the particles mainly segregate axially, and at a comparatively high superficial gas velocity, the particles segregate both axially and radially.     

Optimal Continuous Dependence Estimates for Fractional Degenerate Parabolic Equations

We derive continuous dependence estimates for weak entropy solutions of degenerate parabolic equations with nonlinear fractional diffusion. The diffusion term involves the fractional Laplace operator, \({\triangle^{\alpha/2}}\) for \({\alpha \in (0,2)}\) . Our results are quantitative and we exhibit an example for which they are optimal. We cover the dependence on the nonlinearities, and for the first time, the Lipschitz dependence on α in the BV-framework. The former estimate (dependence on nonlinearity) is robust in the sense that it is stable in the limits \({\alpha \downarrow 0}\) and \({\alpha \uparrow 2}\) . In the limit \({\alpha \uparrow 2}\) , \({\triangle^{\alpha/2}}\) converges to the usual Laplacian, and we show rigorously that we recover the optimal continuous dependence result of Cockburn and Gripenberg (J Differ Equ 151(2):231–251, 1999) for local degenerate parabolic equations (thus providing an alternative proof).     

Communication: Identical temperature dependence of the time scales of several linear-response functions of two glass-forming liquids

The frequency-dependent dielectric constant, shear and adiabatic bulk moduli, longitudinal thermal expansion coefficient, and longitudinal specific heat have been measured for two van der Waals glass-forming liquids, tetramethyl-tetraphenyl-trisiloxane (DC704) and 5-polyphenyl-4-ether. Within the experimental uncertainties the loss-peak frequencies of the measured response functions have identical temperature dependence over a range of temperatures, for which the Maxwell relaxation time varies more than nine orders of magnitude. The time scales are ordered from fastest to slowest as follows: Shear modulus, adiabatic bulk modulus, dielectric constant, longitudinal thermal expansion coefficient, and longitudinal specific heat. The ordering is discussed in light of the recent conjecture that van der Waals liquids are strongly correlating, i.e., approximate single-parameter liquids.