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.

Statistical cloud detection from SEVIRI multispectral images

Cloud detection from geostationary satellite multispectral images through statistical methodologies is investigated. Discriminant analysis methods are considered to this purpose, endowed with a nonparametric density estimation and a linear transform into principal and independent components. The whole methodology is applied to the MSG-SEVIRI sensor through a set of test images covering the central and southern part of Europe.

Using K-branch entropy solutions for multiphase geometric optics computations

This paper is devoted to a numerical simulation of the classical WKB system arising in geometric optics expansions. It contains the nonlinear eikonal equation and a linear conservation law whose coefficient can be discontinuous. We address the problem of treating it in such a way superimposed signals can be reproduced by means of the kinetic formulation of ``multibranch solutions'' originally due to Brenier and Corrias. Some existence and uniqueness results are given together with computational test-cases of increasing difficulty displaying up to five multivaluations.

Anomalous scaling and universality in hydrodynamic systems with power-law forcing

The problem of the interplay between normal and anomalous scaling in turbulent systems stirred by a random forcing with a power-law spectrum is addressed. We consider both linear and nonlinear systems. As for the linear case, we study passive scalars advected by a 2d velocity field in the inverse cascade regime. For the nonlinear case, we review a recent investigation of 3d Navier–Stokes turbulence, and we present new quantitative results for shell models of turbulence.