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It is a promising extension of the quantum mechanical/molecular mechanical (QM/MM) approach to incorporate the solvent molecules surrounding the QM solute into the QM region to ensure the adequate description of the electronic polarization…
We propose a new parametric finite element method, referred to as the BGN-MDR method, for simulating both mean curvature flow and surface diffusion for closed hypersurfaces, as well as open hypersurfaces with moving contact lines in three…
The phase-field method is used as a basis to develop a strictly mass conserving, yet simple, model for simulation of two-phase flow. The model is aimed to be applied for the study of structure evolution in metallic foams. In this regard,…
We theoretically investigate the role of solutal free convection on the diffusion of a buoyant solute at the microfluidic scales, $\simeq 5$--$500~\mu$m. We first consider a horizontal microfluidic slit, one half of which initially filled…
Repulsive Bose-Bose mixtures are known to either mix or phase-separate into pure components. Here we predict a mixed-bubble regime in which bubbles of the mixed phase coexist with a pure phase of one of the components. This is a…
This paper proposes two contributions to the calculation of free surface flows using the particle finite element method (PFEM). The PFEM is based on a Lagrangian approach: a set of particles defines the fluid. Then, unlike a pure Lagrangian…
In this article we consider the filtering problem associated to partially observed diffusions, with observations following a marked point process. In the model, the data form a point process with observation times that have its intensity…
This study explores heat and turbulent modulation in three-dimensional multiphase Rayleigh-B\'enard convection using direct numerical simulations. Two immiscible fluids with identical reference density undergo systematic variations in…
In this paper, a boundary value problem for a singularly perturbed linear system of two second order ordinary differential equations of convection- diffusion type is considered on the interval [0, 1]. The components of the solution of this…
We present an accurate and efficient boundary integral (BI) method for simulating the deformation of drops and bubbles in Stokes flow with soluble surfactant. Soluble surfactant advects and diffuses in bulk fluids while adsorbing and…
In this paper, we establish an a priori error analysis of HDG methods with two types of stabilization parameter applied to convection dominated diffusion problem. We show that, using polynomials of degree no greater than k, L2 error of the…
In this paper, we propose a novel unstructured mesh control volume method to deal with the space fractional derivative on arbitrarily shaped convex domains, which to the best of our knowledge is a new contribution to the literature.…
A framework of finite-velocity model based Boltzmann equation has been developed for convection-diffusion equations. These velocities are kept flexible and adjusted to control numerical diffusion. A flux difference splitting based kinetic…
We design and analyze an approximation method for advection-diffusion-reaction equations where the (generalized) degrees of freedom are polynomials of order $k\ge0$ at mesh faces. The method hinges on local discrete reconstruction operators…
A novel residual-type {\it a posteriori} error analysis technique is developed for multipoint flux mixed finite element methods for flow in porous media in two or three space dimensions. The derived {\it a posteriori} error estimator for…
Error estimates of finite element methods for reaction-diffusion problems are often realised in the related energy norm. In the singularly perturbed case, however, this norm is not adequate. A different scaling of the $H^m$ seminorm for…
A semidiscrete Galerkin finite element method applied to time-fractional diffusion equations with time-space dependent diffusivity on bounded convex spatial domains will be studied. The main focus is on achieving optimal error results with…
We hypothesize that dynamical systems concepts used to study the transition to turbulence in shear flows are applicable to other transition phenomena in fluid mechanics. In this paper, we consider a finite air bubble that propagates within…
This paper presents a finite volume method for simulating two-phase flows using a level set approach coupled with volume of fluid method capable of simulating sharp fluid interfaces. The efficiency of the method is a result of the fact that…
We propose and analyse a novel surface finite element method that preserves the invariant regions of systems of semilinear parabolic equations on closed compact surfaces in $\mathbb{R}^3$ under discretisation. We also provide a…