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The reversible reactions like A+B <-> C in the many-component diffusive system affect the diffusive properties of the constituents. The effective conjugation of irreversible processes of different dimensionality takes place due to the…
In this paper, we consider a continuous fragmentation--coagulation model in which the reacting particles can be transported in physical space through either advection or diffusion. We prove new results on the generation of $C_0$-semigroups…
This work discusses the correct modeling of the fully nonlinear free surface boundary conditions to be prescribed in water waves flow simulations based on potential flow theory. The main goal of such a discussion is that of identifying a…
We introduce a semi-implicit Milstein approximation scheme for some class of non-colliding particle systems modeled by systems of stochastic differential equations with non-constant diffusion coefficients. We show that the scheme converges…
This paper introduces a novel approach for the construction of bulk--surface splitting schemes for semi-linear parabolic partial differential equations with dynamic boundary conditions. The proposed construction is based on a reformulation…
We present an energy/entropy stable and high order accurate finite difference (FD) method for solving the nonlinear (rotating) shallow water equations (SWEs) in vector invariant form using the newly developed dual-pairing and…
Turbulence modeling within the RANS equations' framework is essential in engineering due to its high efficiency. Field inversion and machine learning (FIML) techniques have improved RANS models' predictive capabilities for separated flows.…
The Random Batch Method (RBM) is an effective technique to reduce the computational complexity when solving certain stochastic differential problems (SDEs) involving interacting particles. It can transform the computational complexity from…
A novel smooth immersed boundary method (IBM) based on a direct-forcing formulation is proposed to simulate incompressible dense particle-laden flows. This IBM relies on a regularization of the transfer function between the Eulerian grid…
In this paper subgrid multiscale stabilized finite element method for Advection-Diffusion-Reaction (ADR) equation coupled with Stokes-Darcy flow problem has been studied. Here the advection velocity involved in ADR equation obeys…
Computing accurate rate constants for catalytic events occurring at the surface of a given material represents a challenging task with multiple potential applications in chemistry. To address this question, we propose an approach based on a…
A low-Mach-number flow, in the laminar regime, has intrinsically two characteristic spatial scales for a given time scale, or two characteristic temporal scales for a given spatial scale, and these dual scales are very different due to the…
We present a novel computational framework for diffusive-reactive systems that satisfies the non-negative constraint and maximum principles on general computational grids. The governing equations for the concentration of reactants and…
We consider a system of nonlinear partial differential equations modelling the steady motion of an incompressible non-Newtonian fluid, which is chemically reacting. The governing system consists of a steady convection-diffusion equation for…
We discuss two aspects of turbulent Rayleigh-B\'{e}nard convection (RBC) on the basis of high-resolution direct numerical simulations in a unique setting; a closed cylindrical cell of aspect ratio of one. First, we present a comprehensive…
The pseudopotential lattice Boltzmann method (LBM) is a prominent approach for simulating multiphase flows, valued for its physical intuitiveness and computational tractability. However, existing immiscible pseudopotential methods for…
SAM, a plant-level system analysis tool for advanced reactors (SFR, LFR, MSR/FHR) is under development at Argonne. As a modern system code, SAM aims to improve the predictions of 3D flows relevant to reactor safety during transient…
Existing numerical models of the swash zone are relatively inflexible in dealing with sediment transport due to a high dependence of the deployed numerical schemes on empirical sediment transport relations. Moreover, these models are…
In this paper we present a high-order kernel method for numerically solving diffusion and reaction-diffusion partial differential equations (PDEs) on smooth, closed surfaces embedded in $\mathbb{R}^d$. For two-dimensional surfaces embedded…
The Surface Cauchy-Born (SCB) method is a computational multi-scale method for the simulation of surface-dominated crystalline materials. We present an error analysis of the SCB method, focused on the role of surface relaxation. In a…