Well-balanced finite volume schemes for hydrodynamic equations with general free energy

Well balanced and free energy dissipative first- and second-order accurate finite volume schemes are proposed for a general class of hydrodynamic systems with linear and nonlinear damping. The natural Liapunov functional of the system, given by its free energy, allows for a characterization of the stationary states by its variation. An analog property at the discrete level enables us to preserve stationary states at machine precision while keeping the dissipation of the discrete free energy. These schemes allow for analysing accurately the stability properties of stationary states in challeging problems such as: phase transitions in collective behavior, generalized Euler-Poisson systems in chemotaxis and astrophysics, and models in dynamic density functional theories; having done a careful validation in a battery of relevant test cases.Comment: Videos from the simulations of this work are available at https://sergioperezresearch.wordpress.com/well-balance

The finite-volume method in computational rheology

The finite volume method (FVM) is widely used in traditional computational fluid dynamics (CFD), and many commercial CFD codes are based on this technique which is typically less demanding in computational resources than finite element methods (FEM). However, for historical reasons, a large number of Computational Rheology codes are based on FEM. There is no clear reason why the FVM should not be as successful as finite element based techniques in Computational Rheology and its applications, such as polymer processing or, more recently, microfluidic systems using complex fluids. This chapter describes the major advances on this topic since its inception in the early 1990’s, and is organized as follows. In the next section, a review of the major contributions to computational rheology using finite volume techniques is carried out, followed by a detailed explanation of the methodology developed by the authors. This section includes recent developments and methodologies related to the description of the viscoelastic constitutive equations used to alleviate the high-Weissenberg number problem, such as the log-conformation formulation and the recent kernel-conformation technique. At the end, results of numerical calculations are presented for the well-known benchmark flow in a 4:1 planar contraction to ascertain the quality of the predictions by this method

Review of Summation-by-parts schemes for initial-boundary-value problems

High-order finite difference methods are efficient, easy to program, scales well in multiple dimensions and can be modified locally for various reasons (such as shock treatment for example). The main drawback have been the complicated and sometimes even mysterious stability treatment at boundaries and interfaces required for a stable scheme. The research on summation-by-parts operators and weak boundary conditions during the last 20 years have removed this drawback and now reached a mature state. It is now possible to construct stable and high order accurate multi-block finite difference schemes in a systematic building-block-like manner. In this paper we will review this development, point out the main contributions and speculate about the next lines of research in this area

Modeling transport of charged species in pore networks: solution of the Nernst-Planck equations coupled with fluid flow and charge conservation equations

A pore network modeling (PNM) framework for the simulation of transport of charged species, such as ions, in porous media is presented. It includes the Nernst-Planck (NP) equations for each charged species in the electrolytic solution in addition to a charge conservation equation which relates the species concentration to each other. Moreover, momentum and mass conservation equations are adopted and there solution allows for the calculation of the advective contribution to the transport in the NP equations. The proposed framework is developed by first deriving the numerical model equations (NMEs) corresponding to the partial differential equations (PDEs) based on several different time and space discretization schemes, which are compared to assess solutions accuracy. The derivation also considers various charge conservation scenarios, which also have pros and cons in terms of speed and accuracy. Ion transport problems in arbitrary pore networks were considered and solved using both PNM and finite element method (FEM) solvers. Comparisons showed an average deviation, in terms of ions concentration, between PNM and FEM below $5\%$ with the PNM simulations being over ${10}^{4}$ times faster than the FEM ones for a medium including about ${10}^{4}$ pores. The improved accuracy is achieved by utilizing more accurate discretization schemes for both the advective and migrative terms, adopted from the CFD literature. The NMEs were implemented within the open-source package OpenPNM based on the iterative Gummel algorithm with relaxation. This work presents a comprehensive approach to modeling charged species transport suitable for a wide range of applications from electrochemical devices to nanoparticle movement in the subsurface

Non-Linear Shallow Water Equations numerical integration on curvilinear boundary-conforming grids

An Upwind Weighted Essentially Non-Oscillatory scheme for the solution of the Shallow Water Equations on generalized curvilinear coordinate systems is proposed. The Shallow Water Equations are expressed in a contravariant formulation in which Christoffel symbols are avoided. The equations are solved by using a high-resolution finite-volume method incorporated with an exact Riemann Solver. A procedure developed in order to correct errors related to the difficulties of numerically satisfying the metric identities on generalized boundary-conforming grids is presented; this procedure allows the numerical scheme to satisfy the freestream preservation property on highly-distorted grids. The capacity of the proposed model is verified against test cases present in literature. The results obtained are compared with analytical solutions and alternative numerical solutions