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We present a method for computing stationary distributions for activated processes in equilibrium and non-equilibrium systems using Forward Flux Sampling (FFS). In this method, the stationary distributions are obtained directly from the…
We address in this paper a model for the simulation of turbulent deflagrations in industrial applications. The flow is governed by the Euler equations for a variable composition mixture and the combustion modelling is based on a…
A modified method of functional constraints is used to construct the exact solutions of nonlinear equations of reaction-diffusion type with delay and which are associated with variable coefficients. This study considers a most generalized…
In Computational Fluid Dynamics (CFD) studies composed of the coupling of different simulations, the uncertainty in one stage may be propagated to the following stage and affect the accuracy of the prediction. In this paper, a framework for…
We analyzed conditions for Hopf and Turing instabilities to occur in two-component fractional reaction-diffusion systems. We showed that the eigenvalue spectrum and fractional derivative order mainly determine the type of instability and…
Stochastic chemical systems with diffusion are modeled with a reaction-diffusion master equation. On a macroscopic level, the governing equation is a reaction-diffusion equation for the averages of the chemical species. On a mesoscopic…
We study the numerical behaviour of a particle method for gradient flows involving linear and nonlinear diffusion. This method relies on the discretisation of the energy via non-overlapping balls centred at the particles. The resulting…
We study front propagation in stirred media using a simplified modelization of the turbulent flow. Computer simulations reveal the existence of the two limiting propagation modes observed in recent experiments with liquid phase isothermal…
Pinched flow fractionation is shown to be an efficient and selective way to quickly separate particles by size in a very polydisperse semi-concentrated suspension. In an effort to optimize the method, we discuss the quantitative influence…
A stabilized finite element method is introduced for the simulation of time-periodic creeping flows, such as those found in the cardiorespiratory systems. The new technique, which is formulated in the frequency rather than time domain,…
Solving chemistry is an integral part of reacting flow simulations, usually dominating the computational cost. Among the different strategies to accelerate the solution of chemistry and to achieve realizable simulations, the use of Dynamic…
This paper concerns the analysis and implementation of a novel iterative staggered scheme for quasi-static brittle fracture propagation models, where the fracture evolution is tracked by a phase field variable. The model we consider is a…
Reactive sputtering is a plasma-based technique to deposit a thin film on a substrate. This contribution presents a novel parameter-interval estimation method for a well-established model that describes the uncertain and nonlinear reactive…
The impact of chemical reactions on the robustness and accuracy of projection-based Reduced-Order Models (ROMs) of fluid flows is investigated. Both Galerkin and Least-Squares Petrov Galerkin ROMs are shown to be less robust in reacting…
We consider the estimation of a non-linear reaction term in the stochastic heat or more generally in a semi-linear stochastic partial differential equation (SPDE). Consistent inference is achieved by studying a small diffusivity level,…
In this paper we present a mathematical model and a numerical workflow for the simulation of a thermal single-phase flow with reactive transport in porous media, in the presence of fractures. The latter are thin regions which might behave…
A new time discretization scheme for the numerical simulation of two-phase flow governed by a thermodynamically consistent diffuse interface model is presented. The scheme is consistent in the sense that it allows for a discrete in time…
Experiments with pedestrians could depend strongly on initial conditions. Comparisons of the results of such experiments require to distinguish carefully between transient state and steady state. In this work, a feasible algorithm -…
We establish the fractional diffusion limit of the kinetic scattering equation with diffusive boundary condition in a strongly convex bounded domain $\mathcal{D}\subset\mathbb{R}^d$. According to the nature of the boundary condition, two…
Classical transition state theory (TST) is the cornerstone of reaction rate theory. It postulates a partition of phase space into reactant and product regions, which are separated by a dividing surface that reactive trajectories must cross.…