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Showing papers in "Communications in Computational Physics in 2011"


Journal ArticleDOI
TL;DR: A new version of the Osher-Solomon Riemann solver is concerned with a numerical integration of the path-dependent dissipation matrix and is applicable to general hyperbolic conservation laws, while retaining the attractive features of the original solver.
Abstract: This paper is concerned with a new version of the Osher-Solomon Riemann solver and is based on a numerical integration of the path-dependent dissipation matrix. The resulting scheme is much simpler than the original one and is applicable to general hyperbolic conservation laws, while retaining the attractive features of the original solver: the method is entropy-satisfying, differentiable and complete in the sense that it attributes a different numerical viscosity to each characteristic field, in particular to the intermediate ones, since the full eigenstructure of the underlying hyperbolic system is used. To illustrate the potential of the proposed scheme we show applications to the following hyperbolic conservation laws: Euler equations of compressible gas-dynamics with ideal gas and real gas equation of state, classical and relativistic MHD equations as well as the equations of nonlinear elasticity. To the knowledge of the authors, apart from the Euler equations with ideal gas, an Osher-type scheme has never been devised before for any of these complicated PDE systems. Since our new general Riemann solver can be directly used as a building block of high order finite volume and discontinuous Galerkin schemes we also show the extension to higher order of accuracy and multiple space dimensions in the new framework of PNPM schemes on unstructured meshes recently proposed in [9].

143 citations


Journal ArticleDOI
TL;DR: In this paper, an all speed semi-implicit time discretization scheme for the Isentropic Euler equations is presented, in which the low Mach number stiff term is divided into two parts, one being treated explicitly and the other one implicitly.
Abstract: An all speed scheme for the Isentropic Euler equations is presented in this paper. When the Mach number tends to zero, the compressible Euler equations converge to their incompressible counterpart, in which the density becomes a constant. Increasing approximation errors and severe stability constraints are the main difficulty in the low Mach regime. The key idea of our all speed scheme is the special semi-implicit time discretization, in which the low Mach number stiff term is divided into two parts, one being treated explicitly and the other one implicitly. Moreover, the flux of the density equation is also treated implicitly and an elliptic type equation is derived to obtain the density. In this way, the correct limit can be captured without requesting the mesh size and time step to be smaller than the Mach number. Compared with previous semi-implicit methods, firstly, nonphysical oscillations can be suppressed by choosing proper parameter, besides, only a linear elliptic equation needs to be solved implicitly which reduces much computational cost. We develop this semi-implicit time discretization in the framework of a first order Local Lax-Friedrichs (or Rusanov) scheme and numerical tests are displayed to demonstrate its performances.

136 citations


Journal ArticleDOI
William Heidbrink, D. Liu, Y. Luo, E. Ruskov, Benedikt Geiger1 
TL;DR: In this article, a code that predicts the efflux to a neutral particle analyzer (NPA) diagnostic and the photon radiance of Balmer-alpha light to a fast ion Dα (FIDA) diagnostic is described.
Abstract: A code that models signals produced by charge-exchange reactions between fast ions and injected neutral beams in tokamak plasmas is described. With the fast- ion distribution function as input, the code predicts the efflux to a neutral particle analyzer (NPA) diagnostic and the photon radiance of Balmer-alpha light to a fast- ion Dα (FIDA) diagnostic. Reactions with both the primary injected neutrals and with the cloud of secondary "halo" neutrals that surround the beam are treated. Accurate calculation of the fraction of neutrals that occupy excited atomic states (the collisional- radiative transition equations) is an important element of the code. Comparison with TRANSP output and other tests verify the solutions. Judicious selection of grid size and other parameters facilitate efficient solutions. The output of the code has been validated by FIDA measurements on DIII-D but further tests are warranted.

125 citations


Journal ArticleDOI
TL;DR: Two commonly used classes of finite volume weighted essentially non-oscillatory (WENO) schemes in two dimensional Cartesian meshes are considered in terms of accuracy, performance for smooth and shocked solutions, and efficiency in CPU timing.
Abstract: In this paper we consider two commonly used classes of finite volume weighted essentially non-oscillatory (WENO) schemes in two dimensional Cartesian meshes. We compare them in terms of accuracy, performance for smooth and shocked solutions, and efficiency in CPU timing. For linear systems both schemes are high order accurate, however for nonlinear systems, analysis and numerical simulation results verify that one of them (Class A) is only second order accurate, while the other (Class B) is high order accurate. The WENO scheme in Class A is easier to implement and costs less than that in Class B. Numerical experiments indicate that the resolution for shocked problems is often comparable for schemes in both classes for the same building blocks and meshes, despite of the difference in their formal order of accuracy. The results in this paper may give some guidance in the application of high order finite volume schemes for simulating shocked flows.

116 citations


Journal ArticleDOI
TL;DR: A momentum-conserving sub-stepping technique is intro- duced into the fluid-particle coupling procedure, so that problems with a wide range of time scales can be solved without resorting to excessively small time steps in the CFD solver.
Abstract: A robust and efficient solver coupling computational fluid dynamics (CFD) with discrete element method (DEM) is developed to simulate particle-laden flows in various physical settings. An interpolation algorithm suitable for unstructured meshes is proposed to translate between mesh-based Eulerian fields and particle-based La- grangian quantities. The interpolation scheme reducesthemesh-dependence of the av- eraging and interpolation procedures. In addition, the fluid-particle interaction terms are treated semi-implicitly in this algorithm to improve stability and to maintain accu- racy. Finally, it is demonstrated that sub-stepping is desirable forfluid-particle systems with small Stokes numbers. A momentum-conserving sub-stepping technique is intro- duced into the fluid-particle coupling procedure, so that problems with a wide range of time scales can be solved without resorting to excessively small time steps in the CFD solver. Several numerical examples are presented to demonstrate the capabilities of the solver and the merits of the algorithm.

83 citations


Journal ArticleDOI
TL;DR: In this paper, three different multiphase models based on the lattice Boltzmann method (LBM) are discussed, in order to assess the capability of the method to deal with multi-phase flows on a wide spectrum of operating conditions and multiple-phase phenomena.
Abstract: The simulation of multiphase flows is an outstanding challenge, due to the inherent complexity of the underlying physical phenomena and to the fact that multiphase flows are very diverse in nature, and so are the laws governing their dynamics. In the last two decades, a new class of mesoscopic methods, based on minimal lattice formulation of Boltzmann kinetic equation, has gained significant interest as an efficient alternative to continuum methods based on the discretisation of the NS equations for non ideal fluids. In this paper, three different multiphase models based on the lattice Boltzmann method (LBM) are discussed, in order to assess the capability of the method to deal with multiphase flows on a wide spectrum of operating conditions and multiphase phenomena. In particular, the range of application of each method is highlighted and its effectiveness is qualitatively assessed through comparison with numerical and experimental literature data.

73 citations


Journal ArticleDOI
TL;DR: The main contribution of this work lies in the fact that the subcell force is derived invoking Galilean invariance and thermodynamic consistency, and it deduce a general form of the sub-cell force so that a cell entropy inequality is satisfied.
Abstract: The aim of the present work is to develop a general formalism to derive staggered discretizations for Lagrangian hydrodynamics on two-dimensional unstruc- tured grids. To this end, we make use of the compatible discretizationthat has been ini- tially introduced by E. J. Caramana et al., in J. Comput. Phys., 146 (1998). Namely, mo- mentum equation is discretized by means of subcell forces and specific internal energy equation is obtained using total energy conservation. The main contribution of this work lies in the fact that the subcell force is derived invoking Galilean invariance and thermodynamic consistency. That is, we deduce a general form of the sub-cell force so that a cell entropy inequality is satisfied. The subcell force writes as a pressure con- tribution plus a tensorial viscous contribution which is proportional to the difference between the nodal velocity and the cell-centered velocity. This cell-centered velocity is a supplementary degree of freedom that is solved by means of a cell-centered approx- imate Riemann solver. To satisfy the second law of thermodynamics, the local subcell tensor involved in the viscous part of the subcell force must be symmetric positive definite. This subcell tensor is the cornerstone of the scheme. One particular expres- sion of this tensor is given. A high-order extension of this discretization is provided. Numerical tests are presented in order to assess the efficiency of this approach. The results obtained for various representative configurations of one and two-dimensional compressible fluid flows show the robustness and the accuracy of this scheme. AMS subject classifications: 52B10, 65D18, 68U05, 68U07

70 citations


Journal ArticleDOI
TL;DR: A new Finite Volume Evolution Galerkin (FVEG) scheme for the solution of the shallow water equations (SWE) with the bottom topography as a source term and a new entropy fix is introduced that improves the reproduction of sonic rarefaction waves.
Abstract: We present a new Finite Volume Evolution Galerkin (FVEG) scheme for the solution of the shallow water equations (SWE) with the bottom topography as a source term. Our new scheme will be based on the FVEG methods presented in (Noelle and Kraft, J. Comp. Phys., 221 (2007)), but adds the possibility to handle dry boundaries. The most important aspect is to preserve the positivity of the water height. We present a general approach to ensure this for arbitrary finite volume schemes. The main idea is to limit the outgoing fluxes of a cell whenever they would create negative water height. Physically, this corresponds to the absence of fluxes in the presence of vacuum. Wellbalancing is then re-established by splitting gravitational and gravity driven parts of the flux. Moreover, a new entropy fix is introduced that improves the reproduction of sonic rarefaction waves.

66 citations


Journal ArticleDOI
TL;DR: In this paper, the Stokes-Brinkman equations were used to compute the effective free-flow permeability of a set of idealized 2D models with more than 8 million cells.
Abstract: Cavities and fractures significantly affect the flow paths in carbonate reservoirs and should be accurately accounted for in numerical models. Herein, we consider the problem of computing the effective permeability of rock samples based on high-resolution 3D CT scans containing millions of voxels. We use the Stokes-Brinkman equations in the entire domain, covering regions of free flow governed by the Stokes equations, porous Darcy flow, and transitions between them. The presence of different length scales and large (ten orders of magnitude) contrasts in permeability leads to highly ill-conditioned linear systems of equations, which are difficult to solve. To obtain a problem that is computationally tractable, we first analyze the relative importance of the Stokes and Darcy terms for a set of idealized 2D models. We find that, in terms of effective permeability, the Stokes-Brinkman equations are only applicable for a special parameter set where the effective free-flow permeability is less than four orders of magnitude different from the matrix permeability. All other cases can be accurately modeled with either the Stokes or the Darcy end-member flows, depending on if there do or do not exist percolating free-flow regions. The insights obtained are used to perform a direct computation of the effective permeability of a rock sample model with more than 8 million cells.

63 citations


Journal ArticleDOI
TL;DR: The numerical results demonstrate that this RDG method is third-order accurate at a cost slightly higher than its underlying second-order DG method, at the same time providing a better performance than the third order DG method in terms of both computing costs and storage requirements.
Abstract: A reconstruction-based discontinuous Galerkin method is presented for the solution of the compressible Navier-Stokes equations on arbitrary grids. In this method, an in-cell reconstruction is used to obtain a higher-order polynomial representation of the underlying discontinuous Galerkin polynomial solution and an inter-cell reconstruction is used to obtain a continuous polynomial solution on the union of two neighboring, interface-sharing cells. The in-cell reconstruction is designed to enhance the accuracy of the discontinuous Galerkin method by increasing the order of the underlying polynomial solution. The inter-cell reconstruction is devised to remove an interface discontinuity of the solution and its derivatives and thus to provide a simple, accurate, consistent, and robust approximation to the viscous and heat fluxes in the Navier-Stokes equations. A parallel strategy is also devised for the resulting reconstruction discontinuous Galerkin method, which is based on domain partitioning and Single Program Multiple Data (SPMD) parallel programming model. The RDG method is used to compute a variety of compressible flow problems on arbitrary meshes to demonstrate its accuracy, efficiency, robustness, and versatility. The numerical results demonstrate that this RDG method is third-order accurate at a cost slightly higher than its underlying second-order DG method, at the same time providing a better performance than the third order DG method, in terms of both computing costs and storage requirements.

60 citations


Journal ArticleDOI
TL;DR: An a-posteriori error/smoothness indicator for standard semi-discrete finite volume schemes for systems of conservation laws, based on the numerical production of entropy is proposed.
Abstract: We propose an a-posteriori error/smoothness indicator for standard semi-discrete finite volume schemes for systems of conservation laws, based on the numerical production of entropy. This idea extends previous work by the first author limited to central finite volume schemes on staggered grids. We prove that the indicator converges to zero with the same rate of the error of the underlying numerical scheme on smooth flows under grid refinement. We construct and test an adaptive scheme for systems of equations in which the mesh is driven by the entropy indicator. The adaptive scheme uses a single nonuniform grid with a variable timestep. We show how to implement a second order scheme on such a space-time non uniform grid, preserving accuracy and conservation properties. We also give an example of a p-adaptive strategy.

Journal ArticleDOI
TL;DR: Finite element algorithms are derived for both mass- Conserving and non mass-conserving problems, and results shown for a number of multidimensional nonlinear test problems, including the second order porous medium equation and the fourth order thin film equation as well as a two-phase problem.
Abstract: This article describes a number of velocity-based moving mesh numerical methods for multidimensional nonlinear time-dependent partial differentialequations (PDEs). It consists of a short historical review followed by a detailed description of a recently developed multidimensional moving mesh finite element method based on conservation. Finite element algorithms are derived for both mass-conserving and non mass-conserving problems, and results shown for a number of multidimensional nonlinear test problems, including the second order porous medium equation and the fourth order thin film equation as well as a two-phase problem. Further applications and extensions are referenced. AMS subject classifications: 35R35, 65M60, 76M10

Journal ArticleDOI
TL;DR: A comparative study of several well-known or recently-developed lowdissipation Euler fluxes coupled with a preconditioned LU-SGS (Lower-Upper Symmetric GaussSeidel) implicit time integration scheme to compute steady flows is carried out.
Abstract: In low speed flow computations, compressible finite-volume solvers are known to a) fail to converge in acceptable time and b) reach unphysical solutions. These problems are known to be cured by A) preconditioning on the time-derivative term, and B) control of numerical dissipation, respectively. There have been several methods of A) and B) proposed separately. However, it is unclear which combination is the most accurate, robust, and efficient for low speed flows. We carried out a comparative study of several well-known or recently-developed lowdissipation Euler fluxes coupled with a preconditioned LU-SGS (Lower-Upper Symmetric GaussSeidel) implicit time integration scheme to compute steady flows. Through a series of numerical experiments, accurate, efficient, and robust methods are suggested for low speed flow computations.

Journal ArticleDOI
TL;DR: In this paper, a new conservative semi-Lagrangian (SL) finite difference (FD) WENO scheme was proposed for linear advection equations, which can serve as a base scheme for the Vlasov equation by Strang splitting.
Abstract: In this paper, we propose a new conservative semi-Lagrangian (SL) finite difference (FD) WENO scheme for linear advection equations, which can serve as a base scheme for the Vlasov equation by Strang splitting [4]. The reconstruction procedure in the proposed SL FD scheme is the same as the one used in the SL finite volume (FV) WENO scheme [3]. However, instead of inputting cell averages and approximate the integral form of the equation in a FV scheme, we input point values and approximate the differential form of equation in a FD spirit, yet retaining very high order (fifth order in our experiment) spatial accuracy. The advantage of using point values, rather than cell averages, is to avoid the second order spatial error, due to the shearing in velocity (v) and electrical field (E) over a cell when performing the Strang splitting to the Vlasov equation. As a result, the proposed scheme has very high spatial accuracy, compared with second order spatial accuracy for Strang split SL FV scheme for solving the Vlasov-Poisson (VP) system. We perform numerical experiments on linear advection, rigid body rotation problem; and on the Landau damping and two-stream instabilities by solving the VP system. For comparison, we also apply (1) the conservative SL FD WENO scheme, proposed in [22] for incompressible advection problem, (2) the conservative SL FD WENO scheme proposed in [21] and (3) the non-conservative version of the SL FD WENO scheme in [3] to the same test problems. The performances of different schemes are compared by the error table, solution resolution of sharp interface, and by tracking the conservation of physical norms, energies and entropies, which should be physically preserved.

Journal ArticleDOI
TL;DR: In this article, a new adaptive cell average spectral element method (SEM) is proposed to solve the time-dependent Wigner equation for transport in quantum devices, which allows adaptive non-uniform meshes in phase spaces to reduce the high-dimensional computational cost of WIGNer functions while preserving exactly the mass conservation for numerical solutions.
Abstract: A new adaptive cell average spectral element method (SEM) is proposed to solve the time-dependent Wigner equation for transport in quantum devices. The proposed cell average SEM allows adaptive non-uniform meshes in phase spaces to reduce the high-dimensional computational cost of Wigner functions while preserving exactly the mass conservation for the numerical solutions. The key feature of the proposed method is an analytical relation between the cell averages of the Wigner function in the k-space (local electron density for finite range velocity) and the point values of the distribution, resulting in fast transforms between the local electron density and local fluxes of the discretized Wigner equation via the fast sine and cosine transforms. Numerical results with the proposed method are provided to demonstrate its high accuracy, conservation, convergence and a reduction of the cost using adaptive meshes.

Journal ArticleDOI
Zhaoqin Huang1, Jun Yao1, Yajun Li1, Chenchen Wang1, Xinrui Lv1 
TL;DR: Based on two-scale homogenization theory, an equivalent macroscopic Darcy's law on coarse scale isained from fine-scale discrete fracture-vug network model to model the realistic fluid flow in fractured vuggy porous medium on fine scale.
Abstract: A numerical procedure for the evaluation of equivalent permeability tensor for fractured vuggy porous media is presented. At first we proposed a new conceptual model, i.e., discrete fracture-vug network model, to model the realistic fluid flow in fractured vuggy porous medium on fine scale. This new model consists of three systems: rock matrix system, fractures system, and vugs system. The fractures and vugs are embedded in porous rock, and the isolated vugs could be connected via discrete fracture network. The flow in porous rock and fractures follows Darcy’s law, and the vugs system is free fluid region. Based on two-scale homogenization theory, we obtained an equivalent macroscopic Darcy’s law on coarse scale from fine-scale discrete fracture-vug network model. A finite element numerical formulation for homogenization equations is developed. The method is verified through application to a periodic model problem and then is applied to the calculation of equivalent permeability tensor of porous media with complex fracture-vug networks. The applicability and validity of the method for these more general fractured vuggy systems are assessed through a simple test of the coarse-scale model.

Journal ArticleDOI
TL;DR: An explicit formula for evaluating a Lagrange basis interpolating polynomial associated with the Chebyshev extrema is recovered which allows one to manipulate the sparse grid collocation results in a highly efficient manner.
Abstract: The stochastic collocation method using sparse grids has become a popular choice for performing stochastic computations in high dimensional (random) parame- ter space. In addition to providing highly accurate stochastic solutions, the sparse grid collocation results naturally contain sensitivity information with respect to the input random parameters. In this paper, we use the sparse grid interpolation and cubature methods of Smolyak together with combinatorial analysis to give a computationally efficient method for computing the global sensitivity values of Sobol'. This method al- lows for approximation of all main effect and total effect values from evaluation of f on a single set of sparse grids. We discuss convergence of this method, apply it to several test cases and compare to existing methods. As a result which may be of independent interest, we recover an explicit formula for evaluating a Lagrange basis interpolating polynomial associated with the Chebyshev extrema. This allows one to manipulate the sparse grid collocation results in a highly efficient manner.

Journal ArticleDOI
TL;DR: In this paper, a discontinuous Galerkin method for the ideal 5 moment two-fluid plasma system is presented, which uses a second or third order discontinuous GK spatial discretization and a third order TVD Runge-Kutta time stepping scheme.
Abstract: A discontinuous Galerkin method for the ideal 5 moment two-fluid plasma system is presented. The method uses a second or third order discontinuous Galerkin spatial discretization and a third order TVD Runge-Kutta time stepping scheme. The method is benchmarked against an analytic solution of a dispersive electron acoustic square pulse as well as the two-fluid electromagnetic shock (1) and existing numerical solutions to the GEM challenge magnetic reconnection problem (2). The algorithm can be generalized to arbitrary geometries and three dimensions. An approach to main- taining small gauge errors based on error propagation is suggested.

Journal ArticleDOI
TL;DR: In this paper, the authors developed a new compact scheme that is provably fourth order accurate even for these problems, and they presented numerical results that corroborate the fourth order convergence rate for several model problems.
Abstract: In many problems, one wishes to solve the Helmholtz equation with vari- able coefficients within the Laplacian-like term and use a high order accurate method (e.g., fourth order accurate) to alleviate the points-per-wavelength constraint by re- ducing the dispersion errors. The variation of coefficients in the equation may be due to an inhomogeneous medium and/or non-Cartesian coordinates. This renders exist- ing fourth order finite difference methods inapplicable. We develop a new compact scheme that is provably fourth order accurate even for these problems. We present numerical results that corroborate the fourth order convergence rate for several model problems.

Journal ArticleDOI
TL;DR: In this article, the authors investigated the dependence of the contact angle on the simulation parameters and quantitatively compared different approaches to determine it, and found that the a priori determination of contact angle is depending on simulation parameters with an uncertainty of 10 to 20%.
Abstract: Droplets on hydrophobic surfaces are ubiquitous in microfluidic applications and there exists a number of commonly used multicomponent and multiphase lattice Boltzmann schemes to study such systems. In this paper we focus on a popular implementation of a multicomponent model as introduced by Shan and Chen. Here, interactions between different components are implemented as repulsive forces whose strength is determined by model parameters. In this paper we present simulations of a droplet on a hydrophobic surface. We investigate the dependence of the contact angle on the simulation parameters and quantitatively compare different approaches to determine it. Results show that the method is capable of modelling the whole range of contact angles. We find that the a priori determination of the contact angle is depending on the simulation parameters with an uncertainty of 10 to 20%.

Journal ArticleDOI
TL;DR: Li et al. as mentioned in this paper proposed a finite volume solver to solve 2D steady Euler equations, but the numerical accuracy is degraded by using Venkatakrishnan limiter, and the WENO type reconstruction is employed to gain both the accurate approximations in smooth region and non-oscillatory sharp profiles near the shock discontinuity.
Abstract: A recent work of Li et al. [Numer. Math. Theor. Meth. Appl., 1(2008), pp. 92-112] proposed a finite volume solver to solve 2D steady Euler equations. Although the Venkatakrishnan limiter is used to prevent the non-physical oscillations nearby the shock region, the overshoot or undershoot phenomenon can still be observed. Moreover, the numerical accuracy is degraded by using Venkatakrishnan limiter. To fix the problems, in this paper the WENO type reconstruction is employed to gain both the accurate approximations in smooth region and non-oscillatory sharp profiles near the shock discontinuity. The numerical experiments will demonstrate the efficiency and robustness of the proposed numerical strategy.

Journal ArticleDOI
TL;DR: In this article, the authors review the history of the Gibbs phenomenon and the story of its resolution and show that these slowly and non-uniformly convergent global approximations retain high order information which can be recovered with suitable post-processing.
Abstract: Givena piecewise smooth function, it is possible toconstruct a global expan- sion in some complete orthogonal basis, such as the Fourier basis. However, the local discontinuities of the function will destroy the convergence of global approximations, even in regions for which the underlying function is analytic. The global expansions are contaminated by the presence of a local discontinuity, and the result is that the partial sums are oscillatory and feature non-uniform convergence. This characteristic behavior is called the Gibbs phenomenon. However, David Gottlieb and Chi-Wang Shu showed that these slowly and non-uniformly convergent global approximations retain within them high order information which can be recovered with suitable post- processing. In this paper we review the history of the Gibbs phenomenon and the story of its resolution.

Journal ArticleDOI
TL;DR: In this article, a boundary treatment model based on the perfectly matched layer (PML) approach is proposed to accurately describe dynamics of chemical reactions including dissociative states, and a numerical method that allows for spatial adaptivity is presented, based on summation-by-parts-simultaneous approximation term (SBP-SAT) methodology.
Abstract: The investigation of the dynamics of chemical reactions, both from the theoretical and experimental side, has drawn an increasing interest since Ahmed H. Zewail was awarded the 1999 Nobel Prize in Chemistry for his work on femtochemistry. On the experimental side, new techniques such as femtosecond lasers and attosecond lasers enable laser control of chemical reactions. Numerical simulations serve as a valuable complement to experimental techniques, not only for validation of experimental results, but also for simulation of processes that cannot be investigated through experiments. With increasing computer capacity, more and more physical phenomena fall within the range of what is possible to simulate. Also, the development of new, efficient numerical methods further increases the possibilities. The focus of this thesis is twofold; numerical methods for chemical reactions including dissociative states and methods that can deal with coexistence of spatial regions with very different physical properties. Dissociative chemical reactions are reactions where molecules break up into smaller components. The dissociation can occur spontaneously, e.g. by radioactive decay, or be induced by adding energy to the system, e.g. in terms of a laser field. Quantities of interest can for instance be the reaction probabilities of possible chemical reactions. This thesis discusses a boundary treatment model based on the perfectly matched layer (PML) approach to accurately describe dynamics of chemical reactions including dissociative states. The limitations of the method are investigated and errors introduced by the PML are quantified. The ability of a numerical method to adapt to different scales is important in the study of more complex chemical systems. One application of interest is long-range molecules, where the atoms are affected by chemical attractive forces that lead to fast movement in the region where they are close to each other and exhibits a relative motion of the atoms that is very slow in the long-range region. A numerical method that allows for spatial adaptivity is presented, based on the summation-by-parts-simultaneous approximation term (SBP-SAT) methodology. The accuracy and the robustness of the numerical method are investigated.

Journal ArticleDOI
TL;DR: A novel numerical approach is proposed which is able to take advantage of some features of the underlying inverse gravimetry problem such as the potential density being constant inside the unknown domain so that the computational speed is accelerated by an order of magnitude.
Abstract: We propose a fast local level set method for the inverse problem of gravime- try. The theoretical foundation for our approach is based on the following uniqueness result: if an open set D is star-shaped or x3-convex with respect to its center of grav- ity, then its exterior potential uniquely determines the open set D. To achieve this purpose constructively, the first challenge is how to parametrize this open set D as its boundary may have a variety of possible shapes. To describe those different shapes we propose to use a level-set function to parametrize the unknown boundary of this open set. The second challenge is how to deal with the issue of partial data as gravimetric measurements are only made on a part of a given reference domain W. To overcome this difficulty, we propose a linear numerical continuation approach based on the sin- gle layer representation to find potentials on the boundary of some artificial domain containing the unknown set D. The third challenge is how to speed up the level set in- version process. Basedon some featuresof the underlying inverse gravimetry problem such as the potential density being constant inside the unknown domain, we propose a novel numerical approach which is able to take advantage of these features so that the computational speed is accelerated by an order of magnitude. We carry out numerical experiments for both two- and three-dimensional cases to demonstrate the effective- ness of the new algorithm. AMS subject classifications: 52B10, 65D18, 68U05, 68U07

Journal ArticleDOI
TL;DR: (hierarchical, Lagrange) reduced basis approximation and a posteriori error estimation for potential flows in affinely parametrized geometries are considered and three illustrative results are presented.
Abstract: In this paper we consider (hierarchical, Lagrange) reduced basis approximation and a posteriori error estimation for potential flows in affinely parametrized geometries. We review the essential ingredients: i) a Galerkin projection onto a low dimensional space associated with a smooth “parametric manifold” in order to get a dimension reduction; ii) an efficient and effective greedy sampling method for identification of optimal and numerically stable approximations to have a rapid convergence; iii) an a posteriori error estimation procedure: rigorous and sharp bounds for the linearfunctional outputs of interest and over the potential solution or related quantities of interest like velocity and/or pressure; iv) an Offline-Online computational decomposition strategies to achieve a minimum marginal computational cost for high performance in the real-time and many-query (e.g., design and optimization) contexts. We present three illustrative results for inviscid potential flows in parametrized geometries representing a Venturi channel, a circular bend and an added mass problem.

Journal ArticleDOI
TL;DR: This scheme exactly conserves hydrodynamic fluxes across local reference frame interface and the accuracy and robustness of this scheme are demonstrated by benchmark validations.
Abstract: In this paper we present a generalized lattice Boltzmann based approach for sliding-mesh local reference frame. This scheme exactly conserves hydrodynamic fluxes across local reference frame interface. The accuracy and robustness of our scheme are demonstrated by benchmark validations.

Journal ArticleDOI
TL;DR: It is shown that it is important to discretize the Godunov-Powell source term in the right way, and that the HLL-type solvers naturally provide a stable upwind discretization, and to extend the discrete source term to second order while maintaining stability requires non-standard techniques, which are presented.
Abstract: We design stable and high-order accurate finite volume schemes for the ideal MHD equations in multi-dimensions. We obtain excellent numerical stability due to some new elements in the algorithm. The schemes are based on three- and five-wave approximate Riemann solvers of the HLL-type, with the novelty that we allow a varying normal magnetic field. This is achieved by considering the semi-conservative Godunov-Powell form of the MHD equations. We show that it is important to discretize the Godunov-Powell source term in the right way, and that the HLL-type solvers naturally provide a stable upwind discretization. Second-order versions of the ENO- and WENO-type reconstructions are proposed, together with precise modifications necessary to preserve positive pressure and density. Extending the discrete source term to second order while maintaining stability requires non-standard techniques, which we present. The first- and second-order schemes are tested on a suite of numerical experiments demonstrating impressive numerical resolution as well as stability, even on very fine meshes.

Journal ArticleDOI
TL;DR: In this paper, numerical simulations have been performed to understand the dynamics of droplet formation in a microfluidic cross-junction using the lattice Boltzmann multiphase model.
Abstract: Using the lattice Boltzmann multiphase model, numerical simulations have been performed to understand the dynamics of droplet formation in a microfluidic cross-junction. The influence of capillary number, flow rate ratio, viscosity ratio, and viscosity of the continuous phase on droplet formation has been systematically studied over a wide range of capillary numbers. Two different regimes, namely the squeezing-like regime and the dripping regime, are clearly identified with the transition occurring at a critical capillary number Cacr. Generally, large flow rate ratio is expected to produce big droplets, while increasing capillary number will reduce droplet size. In the squeezing-like regime (Ca ≤ Cacr), droplet breakup process is dominated by the squeezing pressure and the viscous force; while in the dripping regime (Ca > Cacr), the viscous force is dominant and the droplet size becomes independent of the flow rate ratio as the capillary number increases. In addition, the droplet size weakly depends on the viscosity ratio in both regimes and decreases when the viscosity of the continuous phase increases. Finally, a scaling law is established to predict the droplet size.

Journal ArticleDOI
TL;DR: The LDG method for solving the Degasperis-Procesi equation which contains nonlinear high order derivatives, and possibly discontinuous or sharp transition solutions has the flexibility for arbitrary h and p adaptivity and the L2 stability for general solutions is proved.
Abstract: In this paper, we develop, analyze and test local discontinuous Galerkin (LDG) methods for solving the Degasperis-Procesi equation which contains nonlinear high order derivatives, and possibly discontinuous or sharp transition solutions. The LDG method has the flexibility for arbitrary h and p adaptivity. We prove the L2 stability for general solutions. The proof of the total variation stability of the schemes for the piecewise constant P0 case is also given. The numerical simulation results for different types of solutions of the nonlinear Degasperis-Procesi equation are provided to illustrate the accuracy and capability of the LDG method.

Journal ArticleDOI
TL;DR: In this article, the effect of element distortion on the numerical dispersion error and the distortion range in which an accurate solution is obtained for a given error tolerance were investigated, and a double-grid calculation of the spectral element matrices was proposed to preserve accuracy in deformed geometries.
Abstract: Spectral element methods are well established in the field of wave propagation, in particular because they inherit the flexibility of finite element methods and have low numerical dispersion error. The latter is experimentally acknowledged, but has been theoretically shown only in limited cases, such as Cartesian meshes. It is well known that a finite element mesh can contain distorted elements that generate numerical errors for very large distortions. In the present work, we study the effect of element distortion on the numerical dispersion error and determine the distortion range in which an accurate solution is obtained for a given error tolerance. We also discuss a double-grid calculation of the spectral element matrices that preserves accuracy in deformed geometries.