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The effective, fast transport of matter through porous media is often characterized by complex dispersion effects. To describe in mathematical terms such situations, instead of a simple macroscopic equation (as in the classical Darcy's…
The crystal-melt interfaces of a binary hard-sphere fluid mixture in coexistence with a single-component hard-sphere crystal is investigated using molecular-dynamics simulation. In the system under study, the fluid phase consists of a…
Mechanical contact between solids is almost exclusively modeled in Lagrangian frameworks. While these frameworks have been developed extensively and applied successfully to numerous contact problems, they generally require complex…
In this paper we present an approach to approximate numerically the solution of coupled hyperbolic conservation laws. The coupling is achieved through a fixed interface, in which interface conditions are linking the traces of both sides.…
A variety of models for the membrane-mediated interaction of particles in lipid membranes, mostly well-established in theoretical physics, is reviewed from a mathematical perspective. We provide mathematically consistent formulations in a…
Our paper proposes an innovative approach for modeling Fluid-Structure Interaction (FSI). Our method combines both traditional monolithic and partitioned approaches, creating a hybrid solution that facilitates FSI. At each time iteration,…
This work concerns the numerical approximation with a finite volume method of inviscid, nonequilibrium, high-temperature flows in multiple space dimensions. It is devoted to the analysis of the numerical scheme for the approximation of the…
This work demonstrates a computational framework for simulating vaporizing, liquid-gas flows. It is developed for the general vaporization problem which solves the vaporization rate based as from the local thermodynamic equilibrium of the…
We present a parallel-scalable method for simulating non-dilute suspensions of deformable particles immersed in Stokesian fluid in three dimensions. A critical component in these simulations is robust and accurate collision handling. This…
We review recent simulation studies of interfaces between immiscible homopolymer phases. Special emphasis is given to the presentation of efficient simulation techniques and powerful methods of data analysis, such as the analysis of…
A new method is presented for mesoscopic simulations of particle dispersions in liquid crystal solvents. It allows efficient first-principle simulations of the dispersions involving many particles with many-body interactions mediated by the…
The multiphase flow mechanism in miscible displacement through porous media is an important topic in various applications, such as petroleum engineering, low Reynolds number suspension flows, dusty gas dynamics, and fluidized beds. To…
The paper deals with the rebound of an elastic solid off a rigid wall of a container filled with an incompressible Newtonian fluid. Our study focuses on a collision-free bounce, meaning a rebound without topological contact between the…
A technique to simulate the spex-mixer/mill system as a macroscopic ensemble rather than a pure dynamical system is proposed. The treatment is suitable especially for comminution processes generating the nanomaterial up to nanometers scale…
In this paper, a thermal-dynamical consistent model for mass transfer across permeable moving interfaces is proposed by using the energy variation method. We consider a restricted diffusion problem where the flux across the interface…
Discrete Element Methods (DEM) are a useful tool to model the fracture of cohesive granular materials. For this kind of application, simple particle shapes (discs in 2D, spheres in 3D) are usually employed. However, dealing with more…
The numerical simulation of the 3D incompressible Euler equation is analyzed with respect to different integration methods. The numerical schemes we considered include spectral methods with different strategies for dealiasing and two…
The paper deals with modelling fluid saturated porous media subject to large deformation. An Eulerian incremental formulation is derived using the problem imposed in the spatial configuration in terms of the equilibrium equation and the…
We present a multi-scale computational framework suitable for designing solid lubricant interfaces fully in silico. The approach is based on stochastic thermodynamics founded on the classical thermally activated two-dimensional…
We propose here a model and a numerical scheme to compute the motion of rigid particles interacting through the lubrication force. In the case of a particle approaching a plane, we propose an algorithm and prove its convergence towards the…