Bubbling reduces intermittency in turbulent thermal convection

Intermittency effects are numerically studied in turbulent bubbling Rayleigh-Benard (RB) flow and compared to the standard RB case. The vapour bubbles are modelled with a Euler-Lagrangian scheme and are two-way coupled to the flow and temperature fields, both mechanically and thermally. To quantify the degree of intermittency we use probability density functions, structure functions, extended self-similarity (ESS) and generalized extended self-similarity (GESS) for both temperature and velocity differences.

Multiscale coupling of molecular dynamics and hydrodynamics: Application to DNA translocation through a nanopore

We present a multiscale approach to the modeling of polymer dynamics in the presence of a fluid solvent. The approach combines Langevin molecular dynamics ( MD) techniques with a mesoscopic lattice Boltzmann (LB) method for the solvent dynamics. A unique feature of the present approach is that hydrodynamic interactions between the solute macromolecule and the aqueous solvent are handled explicitly, and yet in a computationally tractable way due to the dual particle-field nature of the LB solver.

Simulating the effect of vaccine-induced immune responses on HIV infection.

The need for anti-HIV-1 vaccines is universally recognized. Although several potential vaccine formulations are being tested in clinical trials, the complexity of the viral system and the length of the experimentation required and its costs makes the goal of obtaining such a vaccine still elusive. We have built a mathematical model for the simulation of HIV-1 infection spreading into the body, which allows us study in silico the effect of hypothetical anti-HIV-1 vaccines having different properties.

Towards a mesoscopic model of water-like fluids with hydrodynamic interactions

We present a mesoscopic lattice model for non-ideal fluid flows with directional interactions, mimicking the effects of hydrogen bonds in water. The model supports a rich and complex structural dynamics of the orientational order parameter, and exhibits the formation of disordered domains whose size and shape depend on the relative strength of directional order and thermal diffusivity.

Multifractal statistics of Lagrangian velocity and acceleration in turbulence

The statistical properties of velocity and acceleration fields along the trajectories of fluid particles transported by a fully developed turbulent flow are investigated by means of high resolution direct numerical simulations. We present results for Lagrangian velocity structure functions, the acceleration probability density function, and the acceleration variance conditioned on the instantaneous velocity. These are compared with predictions of the multifractal formalism, and its merits and limitations are discussed.

Model independent pre-processing of X-ray powder diffraction profiles

Precise knowledge of X-ray diffraction profile shape is crucial in the investigation of the properties of matter in crystals powder. Line-broadening analysis is the fourth pre-processing step in most of the full powder pattern fitting softwares. The final result of line-broadening analysis strongly depends on three further steps: noise filtering, removal of background signal, and peak fitting. In this work a new model independent procedure for two of the aforementioned steps (background suppression and peak fitting) is presented.