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In this paper, we consider multipoint flux mixed finite element discretizations for slightly compressible Darcy flow in porous media. The methods are formulated on general meshes composed of triangles, quadrilaterals, tetrahedra or…
Integration of physics principles with data-driven methods has attracted great attention in recent few years. In this study, a physics-informed dynamic mode decomposition (piDMD) method, where the mass conservation law is integrated with a…
We present a thermodynamically consistent phase-field model for simulating fluid transport across semi-permeable membranes, with a particular focus on osmotic pressure effects. The model extends the classical Navier-Stokes-Cahn-Hilliard…
The goal of this thesis is the development and implementation of a non-perturbative solution method for Wegner's flow equations. We show that a parameterization of the flowing Hamiltonian in terms of a scalar function allows the flow…
In this paper, an upwind GFDM is developed for the coupled heat and mass transfer problems in porous media. GFDM is a meshless method that can obtain the difference schemes of spatial derivatives by using Taylor expansion in local node…
We review a dynamical approach to non-equilibrium MD (D-NEMD). We show how, using a proper simulation setup, is possible to treat interesting cases in which the initial condition is a stationary non-equilibrium state produced by a suitable…
A very simple and accurate numerical method which is applicable to systems of differentio-integral equations with quite general boundary conditions has been devised. Although the basic idea of this method stems from the Keller Box method,…
Solidification, coupled with melt flow, plays a critical role in determining the microstructure and properties of materials in several manufacturing processes. Phase-field models coupled with the Navier-Stokes equations are widely used to…
While various phase-field models have recently appeared for two-phase fluids with different densities, only some are known to be thermodynamically consistent, and practical stable schemes for their numerical simulation are lacking. In this…
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…
In this work, a thermodynamically consistent and conservative diffuse-interface model for gas-liquid-solid multiphase flows is proposed. In this model, a novel free energy for the gas-liquid-solid multiphase flows is established according…
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…
Understanding the flow of deformable particles such as liquid drops, synthetic capsules and vesicles, and biological cells confined in a small channel is essential to a wide range of potential chemical and biomedical engineering…
A numerical model is presented, designed to simulate the kinetic and thermal behaviour of a porous pellet in which any gas-solid reaction is taking place. Its novelty consists in the fact that it can deal with reactions whether they are…
Several methods in nonadiabatic molecular dynamics are based on Madelung's hydrodynamic description of nuclear motion, while the electronic component is treated as a finite-dimensional quantum system. In this context, the quantum potential…
In this paper, we study the large--time behavior of a numerical scheme discretizing drift-- diffusion systems for semiconductors. The numerical method is finite volume in space, implicit in time, and the numerical fluxes are a…
A new and very general technique for simulating solid-fluid suspensions is described; its most important feature is that the computational cost scales linearly with the number of particles. The method combines Newtonian dynamics of the…
In this work the authors study the multiphase flow soft-sensing problem based on a previously established framework. There are three functional modules in this framework, namely, a transient well flow model that describes the response of…
A phase-field method for unstructured grids that is accurate, conservative, and robust is proposed in this work. The proposed method also results in bounded transport of volume fraction, and the interface thickness adapts automatically to…
Radiative processes play a pivotal role in shaping the thermal and chemical states of gas across diverse astrophysical environments, from the interstellar medium (ISM) to the intergalactic medium. We present a hybrid cooling model for…