Related papers: When atomic-scale resolution is not enough: Spatia…
We investigate and model the initiation of motion of a single particle on a structured substrate within an oscillatory boundary layer flow, following a mechanistic approach. By deterministically relating forces and torques acting on the…
We consider an electron interacting locally with two-level systems (TLSs) as an archetypal model for charge transport in the presence of inelastic scatterers. To assess the importance of quantum effects in the optical and d.c. conductivity…
The flow of amorphous solids results from a combination of elastic deformation and local structural rearrangements, which induce non-local elastic deformations. These elements are incorporated into a mechanically-consistent mesoscopic model…
Liquid water within the cathode Gas Diffusion Layer (GDL) and Gas Channel (GC) of Proton Exchange Membrane Fuel Cells (PEMFCs) is strongly coupled to gas transport properties, thereby affecting the electrochemical conversion rates. In this…
The effect of rough walls on the phase behaviour of a confined liquid crystal (LC) fluid is studied using constant pressure Monte Carlo simulations. The LC is modelled as a fluid of soft ellipsoidal molecules and the rough walls are…
Plasma flow and acceleration in a magnetic mirror configuration are studied using a drift-kinetic particles-in-cell model in the paraxial approximation, with an emphasis on finite temperature effects and energy transport. Energy conversion…
Hypothesis A prototypical modelling approach is required for a full characterisation of the static and equilibrium dynamical properties of confined ionic liquids (ILs), in order to gain predictive power of properties that are difficult to…
We investigate the appearance of trapping states in pedestrian flows through bottlenecks as a result of the interplay between the geometry of the system and the microscopic stochastic dynamics. We model the flow trough a bottleneck via a…
The numerical solutions of nonlocal and local Boltzmann kinetic equations for the simulation of central heavy ion reactions are parameterized in terms of time dependent thermodynamical variables in the Fermi liquid sense. This allows one to…
Direct numerical simulations of turbulent suspension flows are carried out with the Force-Coupling Method in plane Couette and pressure-driven channel configurations. Dilute to moderately concentrated suspensions of neutrally buoyant…
Data from Direct Numerical Simulations of disperse bubbly flows in a vertical channel are used to study the effect of the bubbles on the carrier-phase turbulence. A new method is developed, based on the barycentric map approach, that allows…
Interference effects on the transport through two localized tunnel junctions on the surface of a well-grounded sample reveal intrinsic spatial correlations characteristic of the uncoupled sample. Differential conductances of the…
In CFD simulations of two-phase flows, accurate drag force modeling is essential for predicting particle dynamics. However, a generally valid formulation is lacking, as all available drag force correlations have been established for…
Linear stability of supersonic flow over a short compression corner with ramp angles 30 and 42 is investigated using Direct Simulation Monte Carlo (DSMC) and Linear Stability Theory (LST) at Mach number 3, Reynolds number 11,200 and low…
A stochastic model for the dynamics of enzymatic catalysis in explicit, effective solvents under physiological conditions is presented. Analytically-computed first passage time densities of a diffusing particle in a spherical shell with…
By event-driven molecular dynamics simulations we investigate magneto-transport in a two-dimensional model with randomly distributed scatterers close to the field-induced localization transition. This transition is generated by percolating…
Using both a continuum Navier-Stokes solver, with the mu(I)-flow-law implemented to model the viscous behavior, and the discrete Contact Dynamics algorithm, the discharge of granular silos is simulated in two dimensions from the early…
Monte Carlo methods play important part in modern statistical physics. The application of these methods suffer from two main difficulties.The first is caused by the relatively small number of particles that can participate in any numerical…
Two kinetic models are proposed for high-temperature rarefied (or non-equilibrium) gas flows with radiation. One of the models uses the Boltzmann collision operator to model the translational motion of gas molecules, which has the ability…
We study ionic and mass transport in a liquid crystalline fluid film in its nematic phase under an applied electrostatic field. Both analytic and numerical solutions are given for some prototypical configurations of interest in…