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Highlights • Anisotropic p-FEM is an efficient scheme for time-harmonic wave propagation problems. • An a priori adaptive strategy is devised to assign the orders automatically. • Local mesh curvature and medium properties are incorporated. • It reduces cost on anisotropically behaved solutions. • The simulation is less dependent on the quality of the finite element mesh. Abstract This paper deals with the a-priori assignment of polynomial order in the p -version of the FEM for the efficient simulation of time-harmonic acoustics problems. Anisotropic p -refinement, allowing direction-dependent polynomial approximations is examined, including for unstructured meshes with curved elements. A methodology to automatically choose the order repartition in the model is proposed and verified. These features are important for two main reasons. First, they allow to better control the accuracy on distorted elements with large aspect ratios. This in turn makes the numerical model less sensitive to the quality of the finite element mesh. Secondly, this allows to deal efficiently with problems where the wave properties are anisotropic. The restriction on the numerical resolution can be relaxed to obtain significant reductions in the computational cost compared to classical, isotropic order adaptivity. The paper presents several examples of the efficiency and robustness of the method for the propagation of acoustic waves on distorted meshes and/or in the presence of strong background mean flows. [ABSTRACT FROM AUTHOR]

In this paper, three multiscale methods for coupling of mesoscopic (compartment-based) and microscopic (molecular-based) stochastic reaction–diffusion simulations are investigated. Two of the three methods that will be discussed in detail have been previously reported in the literature; the two-regime method (TRM) and the compartment–placement method (CPM). The third method that is introduced and analysed in this paper is called the ghost cell method (GCM), since it works by constructing a “ghost cell” in which molecules can disappear and jump into the compartment-based simulation. Presented is a comparison of sources of error. The convergent properties of this error are studied as the time step Δ t (for updating the molecular-based part of the model) approaches zero. It is found that the error behaviour depends on another fundamental computational parameter h , the compartment size in the mesoscopic part of the model. Two important limiting cases, which appear in applications, are considered: (i) Δ t → 0 and h is fixed; (ii) Δ t → 0 and h → 0 such that Δ t / h is fixed. The error for previously developed approaches (the TRM and CPM) converges to zero only in the limiting case (ii), but not in case (i). It is shown that the error of the GCM converges in the limiting case (i). Thus the GCM is superior to previous coupling techniques if the mesoscopic description is much coarser than the microscopic part of the model. [ABSTRACT FROM AUTHOR]

With wide applications, the smoothed particle hydrodynamics method (abbreviated as SPH) has become an important numerical tool for solving complex flows, in particular those with a rapidly moving free surface. For such problems, the incompressible Smoothed Particle Hydrodynamics (ISPH) has been shown to yield better and more stable pressure time histories than the traditional SPH by many papers in literature. However, the existing ISPH method directly approximates the second order derivatives of the functions to be solved by using the Poisson equation. The order of accuracy of the method becomes low, especially when particles are distributed in a disorderly manner, which generally happens for modelling violent water waves. This paper introduces a new formulation using the Rankine source solution. In the new approach to the ISPH, the Poisson equation is first transformed into another form that does not include any derivative of the functions to be solved, and as a result, does not need to numerically approximate derivatives. The advantage of the new approach without need of numerical approximation of derivatives is obvious, potentially leading to a more robust numerical method. The newly formulated method is tested by simulating various water waves, and its convergent behaviours are numerically studied in this paper. Its results are compared with experimental data in some cases and reasonably good agreement is achieved. More importantly, numerical results clearly show that the newly developed method does need less number of particles and so less computational costs to achieve the similar level of accuracy, or to produce more accurate results with the same number of particles compared with the traditional SPH and existing ISPH when it is applied to modelling water waves. [ABSTRACT FROM AUTHOR]

In this paper, we propose a self-adaptive algorithm of physics-informed neural networks (PINNs) for 2D and 3D linear and nonlinear Biot models, including solving the forward and inverse problems. Firstly, we apply the original PINNs algorithm to 2D and 3D linear and nonlinear Biot models. Secondly, we explore the performance of PINNs in solving Biot model when λ → ∞ to show the potential of PINNs in avoiding locking phenomenon for displacement and pressure oscillation compared to the traditional numerical algorithms. Then, we propose a self-adaptive PINNs algorithm to solve the Biot model with high spatial-temporal complexity and apply the proposed algorithm to simulate the brain pressure distribution problem with irregular boundary. And the numerical results show that the physics-informed neural network has good precision in solving nonlinear problems, inverse problems and high-dimensional problems. Finally, we draw conclusions to summarize the main results of this work. [ABSTRACT FROM AUTHOR]

Abstract: This paper presents a development of the direction splitting algorithm for flows in complex geometries proposed in [2] to the case of flows containing rigid particles. The main novelty of this method is that the grid is fit to the time-dependent domain at each time step which allows for an optimal spatial approximation of the Navier–Stokes equations. In general, this is a very hard task for multidimensional problems. However, it is significantly simplified if the momentum equations are discretized by a direction splitting scheme. Such a scheme requires only solving a set of one-dimensional problems, and the grid can be easily fit to the boundary in the direction of each of these problems. Here we use a MAC discretization stencil but the same idea can be applied to other discretizations. The equations of motion of each particle are discretized explicitly and the computed particle velocities are imposed as Dirichlet boundary conditions for the Navier–Stokes equations on the adapted grid. The pressure is extended within the particles in a fictitious domain fashion, but the divergence stencil is fit to the particle boundaries. In this paper, the direction splitting algorithm with boundary fitting is compared to pure fictitious domain methods. [Copyright &y& Elsevier]

Abstract: In this paper, we propose a general approach called Generalized Multiscale Finite Element Method (GMsFEM) for performing multiscale simulations for problems without scale separation over a complex input space. As in multiscale finite element methods (MsFEMs), the main idea of the proposed approach is to construct a small dimensional local solution space that can be used to generate an efficient and accurate approximation to the multiscale solution with a potentially high dimensional input parameter space. In the proposed approach, we present a general procedure to construct the offline space that is used for a systematic enrichment of the coarse solution space in the online stage. The enrichment in the online stage is performed based on a spectral decomposition of the offline space. In the online stage, for any input parameter, a multiscale space is constructed to solve the global problem on a coarse grid. The online space is constructed via a spectral decomposition of the offline space and by choosing the eigenvectors corresponding to the largest eigenvalues. The computational saving is due to the fact that the construction of the online multiscale space for any input parameter is fast and this space can be re-used for solving the forward problem with any forcing and boundary condition. Compared with the other approaches where global snapshots are used, the local approach that we present in this paper allows us to eliminate unnecessary degrees of freedom on a coarse-grid level. We present various examples in the paper and some numerical results to demonstrate the effectiveness of our method. [Copyright &y& Elsevier]

Abstract: This paper presents a new computational framework for the simulation of solid mechanics on general overlapping grids with adaptive mesh refinement (AMR). The approach, described here for time-dependent linear elasticity in two and three space dimensions, is motivated by considerations of accuracy, efficiency and flexibility. We consider two approaches for the numerical solution of the equations of linear elasticity on overlapping grids. In the first approach we solve the governing equations numerically as a second-order system (SOS) using a conservative finite-difference approximation. The second approach considers the equations written as a first-order system (FOS) and approximates them using a second-order characteristic-based (Godunov) finite-volume method. A principal aim of the paper is to present the first careful assessment of the accuracy and stability of these two representative schemes for the equations of linear elasticity on overlapping grids. This is done by first performing a stability analysis of analogous schemes for the first-order and second-order scalar wave equations on an overlapping grid. The analysis shows that non-dissipative approximations can have unstable modes with growth rates proportional to the inverse of the mesh spacing. This new result, which is relevant for the numerical solution of any type of wave propagation problem on overlapping grids, dictates the form of dissipation that is needed to stabilize the scheme. Numerical experiments show that the addition of the indicated form of dissipation and/or a separate filter step can be used to stabilize the SOS scheme. They also demonstrate that the upwinding inherent in the Godunov scheme, which provides dissipation of the appropriate form, stabilizes the FOS scheme. We then verify and compare the accuracy of the two schemes using the method of analytic solutions and using problems with known solutions. These latter problems provide useful benchmark solutions for time dependent elasticity. We also consider two problems in which exact solutions are not available, and use a posterior error estimates to assess the accuracy of the schemes. One of these two problems is additionally employed to demonstrate the use of dynamic AMR and its effectiveness for resolving elastic “shock” waves. Finally, results are presented that compare the computational performance of the two schemes. These demonstrate the speed and memory efficiency achieved by the use of structured overlapping grids and optimizations for Cartesian grids. [Copyright &y& Elsevier]

Abstract: Simulation of charged-particle beam devices using particle-in-cell methods in (r, z) cylindrical coordinates can be extremely efficient, incorporating a majority of the physics and yielding high resolution with minimal computational costs. However, accuracy requires adjustment of solution coefficients and particle/current weights with radius, especially near the cylindrical axis. Prior algorithms have been based on special models and approximations with no consistent method for computing coefficients in general cases. The Local Taylor Polynomial (LTP) technique presented in this paper provides a general framework for determination of coefficients and development of PDE solution algorithms. The LTP method employs a local (polynomial) solution of the continuum PDE to construct numerical algorithms. As a result, LTP systematically generates accurate coefficients and incorporates fields and sources on an equal basis. This paper focuses on the scalar Poisson PDE in cylindrical coordinates to illustrate the LTP technique, coefficient derivation, electric field calculation and handling of space charge effects. Application of LTP to non-conformal boundaries and non-uniform grids is presented. Although focused on cylindrical coordinates in this paper, the LTP technique has general applicability to other PDE’s and geometries, and is broadly applicable to problems in beam/field simulation. [Copyright &y& Elsevier]

Abstract: An efficient approach for the simulation of finite-size particles with interface resolution was presented by Uhlmann [M. Uhlmann, An immersed boundary method with direct forcing for the simulation of particulate flows, J. Comput. Phys. 209 (2005) 448–476.]. The present paper proposes several enhancements of this method which considerably improve the results and extend the range of applicability. An important step is a simple low-cost iterative procedure for the Euler–Lagrange coupling yielding a substantially better imposition of boundary conditions at the interface, even for large time steps. Furthermore, it is known that the basic method is restricted to ratios of particle density and fluid density larger than some critical value above 1, hence excluding, for example, non-buoyant particles. This can be remedied by an efficient integration step for the artificial flow field inside the particles to extend the accessible density range down to 0.3. This paper also shows that the basic scheme is inconsistent when moving surfaces are allowed to approach closer than twice the step size. A remedy is developed based on excluding from the force computation all surface markers whose stencil overlaps with the stencil of a marker located on the surface of a collision partner. The resulting algorithm is throughly validated and is demonstrated to substantially improve upon the original method. [Copyright &y& Elsevier]

Abstract: In the present work, we present a novel numerical algorithm to couple the Direct Simulation Monte Carlo method (DSMC) for the solution of the Boltzmann equation with a finite volume like method for the solution of the Euler equations. Recently we presented in different methodologies which permit to solve fluid dynamics problems with localized regions of departure from thermodynamical equilibrium. The methods rely on the introduction of buffer zones which realize a smooth transition between the kinetic and the fluid regions. In this paper we extend the idea of buffer zones and dynamic coupling to the case of the Monte Carlo methods. To facilitate the coupling and avoid the onset of spurious oscillations in the fluid regions which are consequences of the coupling with a stochastic numerical scheme, we use a new technique which permits to reduce the variance of the particle methods . In addition, the use of this method permits to obtain estimations of the breakdowns of the fluid models less affected by fluctuations and consequently to reduce the kinetic regions and optimize the coupling. In the last part of the paper several numerical examples are presented to validate the method and measure its computational performances. [Copyright &y& Elsevier]

Abstract Many codes have been developed to study highly relativistic, magnetized flows around and inside compact objects. Depending on the adopted formalism, some of these codes evolve the vector potential A , and others evolve the magnetic field B = ∇ × A directly. Given that these codes possess unique strengths, sometimes it is desirable to start a simulation using a code that evolves B and complete it using a code that evolves A. Thus transferring the data from one code to another would require an inverse curl algorithm. This paper describes two new inverse curl techniques in the context of Cartesian numerical grids: a cell-by-cell method, which scales approximately linearly with the numerical grid, and a global linear algebra approach, which has worse scaling properties but is generally more robust (e.g., in the context of a magnetic field possessing some nonzero divergence). We demonstrate these algorithms successfully generate smooth vector potential configurations in challenging special and general relativistic contexts. Highlights • Our solution consists of a numerical implementation of the "inverse curl" operator. • We use two different methods that have different strengths and weaknesses. • The cell-by-cell technique is very fast and scales with the number of gridpoints. • The global linear algebra method is slower but has better symmetry properties. [ABSTRACT FROM AUTHOR]

Highlights • Accurate and efficient numerical simulation of granular flow. • Two regularized models of the μ (I) -rheology. • Application of the PFEM to frictional material simulation. • Validation against 3D experimental tests. Abstract This paper proposes two regularized models of the μ (I) -rheology and shows their application to the numerical simulation of 3D dense granular flows. The proposed regularizations are inspired by the Papanastasiou and Bercovier–Engleman methods, typically used to approximate the Bingham law. The key idea is to keep limited the value of the apparent viscosity for low shear rates without introducing a fixed cutoff. The proposed techniques are introduced into the Particle Finite Element Method (PFEM) framework to deal with the large deformations expected in free-surface granular flows. After showing the numerical drawbacks associated to the standard μ (I) -rheology, the two regularization strategies are derived and discussed. The regularized μ (I) -rheology is then applied to the simulation of the collapse of 2D and 3D granular columns. The numerical results show that the regularization techniques improve substantially the conditioning of the linear system without affecting the solution accuracy. A good agreement with the experimental tests and other numerical methods is obtained in all the analyzed problems. [ABSTRACT FROM AUTHOR]

Abstract In this work, we propose and test the validity of a modified Phase Field Method (PFM), which is specifically developed for large scale simulations of turbulent flows with large and deformable surfactant-laden droplets. The time evolution of the phase field, ϕ , and of the surfactant concentration field, ψ , are obtained from two Cahn–Hilliard-like equations together with a two-order-parameter Time-Dependent Ginzburg–Landau (TDGL) free energy functional. The modifications introduced circumvent existing limitations of current approaches based on PFM and improve the well-posedness of the model. The effect of surfactant on surface tension is modeled via an Equation Of State (EOS), further improving the flexibility of the approach. This method can efficiently handle topological changes, i.e. breakup and coalescence, and describe adsorption/desorption of surfactant. The capabilities of the proposed approach are tested in this paper against previous experimental results on the effects of surfactant on the deformation of a single droplet and on the interactions between two droplets. Finally, to appreciate the performances of the model on a large scale complex simulation, a qualitative analysis of the behavior of surfactant-laden droplets in a turbulent channel flow is presented and discussed. [ABSTRACT FROM AUTHOR]

Abstract In cylindrical/spherical geometries, MHD solvers using explicit finite-volume methods face restrictive time steps imposed by the CFL condition due to the clustering of cells in the azimuthal direction near the pole/axis. We use a conservative averaging-reconstruction method (Ring Average) on structured cylindrical/spherical mesh to remove this severe time step restriction for multi-dimensional curvilinear finite-volume MHD solvers. The Ring Average technique is implemented as a post-processing step and thus requires no changes to the existing data structure, grid definition or numerical methods in the original MHD solver. This paper describes the Ring Average algorithm and presents simulation results using field loop advection and MHD blast waves in cylindrical/spherical geometries for validation. The algorithm is shown to be inexpensive and easily implemented in existing curvilinear finite-volume MHD solvers. Highlights • Ring Average is a "post-processing" module without modifying the original solver. • Ring Average relaxes time-step restrictions in MHD solvers with axis singularities. • Ring Average conserves mass, momentum and energy for proper shock propagations. • Ring Average works for codes with either divergence cleaning or constrained transport. [ABSTRACT FROM AUTHOR]

Abstract: The present paper aims to provide an efficient and flexible method for the initialization of a zonal RANS/LES type calculation when the resolution of the near wall region is treated in RANS mode. Indeed, when part of the boundary layer must be resolved in LES mode, one generally experiences a very long transient state, which makes this approach inapplicable to industrial applications. The skillful combination of a Zonal Detached Eddy Simulation method (ZDES), a Synthetic Eddy Method (SEM) and a self-adaptative dynamic forcing approach enables this. The two former being taken as framework, while the latter, based on innovative considerations, is the purpose of the paper. The main strength of the dynamic forcing method comes from its local nature, enabling to treat geometrically complex applications. A new definition of the dynamic forcing method, based on error, is derived from the original one. It dramatically increases the efficiency of the inflow generation. Indeed, the dynamic forcing method allows to reduce the transition distance up to 76%, compared to the SEM inflow by itself, when a RANS/LES type resolution is employed. Thus the use of a synthetic turbulence generation method is now affordable for industrial applications both technically and economically. A particular attention is brought to the behavior and the parametrization of such an approach, with regards to the other simulation parameters. The authors will try to give all the information required to successfully apply the present strategy on a particular case. [Copyright &y& Elsevier]

Abstract: In this paper, we propose a semi-Lagrangian finite difference formulation for approximating conservative form of advection equations with general variable coefficients. Compared with the traditional semi-Lagrangian finite difference schemes , which approximate the advective form of the equation via direct characteristics tracing, the scheme proposed in this paper approximates the conservative form of the equation. This essential difference makes the proposed scheme naturally conservative for equations with general variable coefficients. The proposed conservative semi-Lagrangian finite difference framework is coupled with high order essentially non-oscillatory (ENO) or weighted ENO (WENO) reconstructions to achieve high order accuracy in smooth parts of the solution and to capture sharp interfaces without introducing spurious oscillations. The scheme is extended to high dimensional problems by Strang splitting. The performance of the proposed schemes is demonstrated by linear advection, rigid body rotation, swirling deformation, and two dimensional incompressible flow simulation in the vorticity stream-function formulation. As the information is propagating along characteristics, the proposed scheme does not have the CFL time step restriction of the Eulerian method, allowing for a more efficient numerical realization for many application problems. [ABSTRACT FROM AUTHOR]

Abstract While high order methods became very popular as they allow to perform very accurate solutions with low computational time and memory cost, there is a lack of tools to visualize and post-treat the solutions given by these methods. Originally, visualization softwares were developed to post-process results from methods such that finite differences or usual finite elements and therefore process linear primitives. In this paper, we present a methodology to visualize results of high order methods. Our approach is based on the construction of an optimized affine approximation of the high order solution which can therefore be handled by any visualization software. A representation mesh is constructed and the process is guided by an a posteriori estimate which control the error between the numerical solution and its representation pointwise. This point by point control is crucial as under their picture form, data correspond to values mapped on elements where anyone can pick up a pointwise information. A strategy is established to ensure that discontinuities are well represented. These discontinuities come either from the physical problem (material change) or the numerical method (Discontinuous Galerkin method) and are pictured accurately. Several numerical examples are presented to demonstrate the potential of the method. Highlights • Objectives to faithfully represent high order solutions are defined. • An algorithm to obtain the representation is given. • Under assumptions, the representation is proved to satisfy the objectives. • Specific developments for approximation spaces based on curved elements are led. • Relevancy and benefits are outlined with several numerical examples. [ABSTRACT FROM AUTHOR]

Abstract High resolution simulation of viscous fingering can offer an accurate and detailed prediction for subsurface engineering processes involving fingering phenomena. The fully implicit discontinuous Galerkin (DG) method has been shown to be an accurate and stable method to model viscous fingering with high Peclet number and mobility ratio. In this paper, we present two techniques to speedup large scale simulations of this kind. The first technique relies on a simple p -adaptive scheme in which high order basis functions are employed only in elements near the finger fronts where the concentration has a sharp change. As a result, the number of degrees of freedom is significantly reduced and the simulation yields almost identical results to the more expensive simulation with uniform high order elements throughout the mesh. The second technique for speedup involves improving the solver efficiency. We present an algebraic multigrid (AMG) preconditioner which allows the DG matrix to leverage the robust AMG preconditioner designed for the continuous Galerkin (CG) finite element method. The resulting preconditioner works effectively for fixed order DG as well as p -adaptive DG problems. With the improvements provided by the p -adaptivity and AMG preconditioning, we can perform high resolution three-dimensional viscous fingering simulations required for miscible displacement with high Peclet number and mobility ratio in greater detail than before for well injection problems. Highlights • Two techniques to speedup large scale simulations of viscous fingering using implicit DG are presented. • The first technique relies on a simple p -adaptive scheme and results in significant reduction in the problem size. • In the second technique, we design an algebraic multigrid (AMG) to improve the solver efficiency. • The new techniques enable high resolution 3D viscous fingering simulations in greater detail than before. [ABSTRACT FROM AUTHOR]

In this paper we develop and implement anisotropic radial basis function methods for simulating the dynamics of ice sheets and glaciers. We test the methods on two problems: the well-known benchmark ISMIP-HOM B that corresponds to a glacier size ice and a synthetic ice sheet whose geometry is inspired by the EISMINT benchmark that corresponds to a continental size ice sheet. We illustrate the advantages of the radial basis function methods over a standard finite element method. We also show how the use of anisotropic radial basis functions allows for accurate simulation of the velocities on a large ice sheet, which was not possible with standard isotropic radial basis function methods due to a small ratio between the typical thickness and length of an ice sheet. Additionally, we implement a partition of unity method in order to improve the computational efficiency of the radial basis function methods. [ABSTRACT FROM AUTHOR]

In this paper we develop a conservative interface-interaction method dedicated to simulating multiple compressible fluids with sharp interfaces. Numerical models for finite-volume cells cut by more than two material-interface are proposed. First, we simplify the interface interaction inside such a cell to avoid the need for explicit interface reconstruction and very complex flux calculation. Second, conservation is strictly preserved by an efficient conservation correction procedure for the cut cell. To improve robustness, a multi-material scale separation model is developed to remove consistently non-resolved interface scales. In addition, a multi-resolution method and a local time-stepping scheme are incorporated into the proposed multi-material method to speed up high-resolution simulations. Various numerical test cases, including the multi-material shock tube problem, inertial confinement fusion implosion, triple-point shock interaction and shock interaction with multi-material bubbles, show that the method is suitable for a wide range of complex compressible multi-material flows. [ABSTRACT FROM AUTHOR]

Meta- (or surrogate-) models constructed from meso-scale simulations can be used in place of empirical correlations to close macro-scale equations. In shocked particulate flows, surrogate models for drag are constructed as functions of shock Mach number ( Ma ), particle volume fraction ( ϕ ), Reynolds number ( Re ), etc. The computational cost of the high-fidelity meso-scale simulations is a challenge in construction of surrogates in such hierarchical multi-scale frameworks. Here multifidelity surrogate-modeling techniques are evaluated as inexpensive alternatives to high-fidelity surrogate models for obtaining closure laws for drag in shock–particle interactions. Preliminary surrogates for drag as a function of Ma and ϕ are constructed from ensembles of low-fidelity (coarse grid) mesoscale computations. The low-fidelity surrogates are subsequently corrected using only a few ( N h f ) high-fidelity computations to obtain multifidelity surrogate models. The paper evaluates three different methods for correcting an initial low-fidelity surrogate; Space Mapping (SM), Radial Basis Functions (RBF) and Modified Bayesian Kriging (MBKG). Of these methods, MBKG is found to provide the best multi-fidelity surrogate model, simultaneously minimizing the computational cost and error in the constructed surrogate. [ABSTRACT FROM AUTHOR]

Spectral methods are becoming increasingly prevalent in solving time-varying partial differential equations due to their fast convergence properties. However, they typically use regular computational meshes that do not account for spatially varying resolution requirements. This can significantly increase the overall grid density when resolution requirements vary sharply over the modelled domain. Moving mesh methods offer a remedy for this, by allowing the position of mesh nodes to adapt to the simulated model solution. In this paper, a mesh specification is presented that is based on a local measure of the spatial bandwidth of the model solution. This addresses the rate of decay of the model solution's frequency components by producing high-sampling rates when this decay is slow. The spatial bandwidth is computed using a combination of the original solution and its Riesz transformed counterparts. It is then integrated into a Fourier spectral moving mesh method, using the parabolic Monge–Ampère equation for mesh control. This method is used to solve a multidimensional version of the viscous Burgers equation, and a heterogeneous advection equation. The performance of bandwidth-based mesh adaptation is compared with arclength- and curvature-based adaptation, and against a static mesh. These numerical experiments show that the bandwidth-based approach produces superior convergence rates, and hence requires fewer mesh nodes for a given level of solution accuracy. [ABSTRACT FROM AUTHOR]

Compressive sampling has become a widely used approach to construct polynomial chaos surrogates when the number of available simulation samples is limited. Originally, these expensive simulation samples would be obtained at random locations in the parameter space. It was later shown that the choice of sample locations could significantly impact the accuracy of resulting surrogates. This motivated new sampling strategies or design-of-experiment approaches, such as coherence-optimal sampling, which aim at improving the coherence property. In this paper, we propose a sampling strategy that can identify near-optimal sample locations that lead to improvement in local-coherence property and also enhancement of cross-correlation properties of measurement matrices. We provide theoretical motivations for the proposed sampling strategy along with several numerical examples that show that our near-optimal sampling strategy produces substantially more accurate results, compared to other sampling strategies. [ABSTRACT FROM AUTHOR]

In this paper, we consider a diffuse-interface gas–liquid two-phase flow model with inhomogeneous temperatures, in which we employ the Peng–Robinson equation of state and the temperature-dependent influence parameter instead of the van der Waals equation of state and the constant influence parameter used in the existing models. As a result, our model can characterize accurately the physical behaviors of numerous realistic gas–liquid fluids, especially hydrocarbons. Furthermore, we prove a relation associating the pressure gradient with the gradients of temperature and chemical potential, thereby deriving a new formulation of the momentum balance equation, which shows that gradients of the chemical potential and temperature become the primary driving force of the fluid motion. It is rigorously proved that the new formulations of the model obey the first and second laws of thermodynamics. To design efficient numerical methods, we prove that Helmholtz free energy density is a concave function with respect to the temperature under certain physical conditions. Based on the proposed modeling formulations and the convex–concave splitting of Helmholtz free energy density, we propose a novel thermodynamically stable numerical scheme. We rigorously prove that the proposed method satisfies the first and second laws of thermodynamics. Finally, numerical tests are carried out to verify the effectiveness of the proposed simulation method. [ABSTRACT FROM AUTHOR]

This paper reports the development and convergence analysis in steady-state of an effective and robust implicit finite-volume solver for compressible Euler equations on three-dimensional unstructured grids. A second-order upwind scheme (MUSCL) was employed based on Roe's approximate Flux-Difference Scheme (FDS) by using Venkatrakishnan flux limiters. The construction of the linear system for the implicit scheme was performed by applying the backward Euler on the left-hand side of the conservation equation and Newton-type linearization on the right-hand side. The Jacobian matrix that resulted from the linearization process was computed analytically using Roe flux terms. In this phase, the defect-correction technique was employed allowing effective time-dependent computations by an implicit time-integration scheme. In this approach, the flux integral on the right-hand side is computed based on a high-order of accuracy whilst the left-hand side the Jacobian is performed based on the low-order. The resulting sparse and large system of linear equations is solved by a sequential Gauss–Seidel iterative method. Simulations were performed and the developed implicit defect-correction solver was validated and verified. In addition, convergence analysis comparing the implicit solver and the explicit Runge–Kutta of 5-steps using Implicit Residual Smoothing (IRS) were performed showing the significant speed-up of the implicit solver over the explicit one. Simulations were performed for case studies to demonstrate the robustness of the developed implicit defect-correction solver in solving typical problems of aerodynamic involving transonic condition and shock wave captures for internal and external flows. Finally, the main particularities of the implicit scheme were investigated and discussed considering the simulation results, showing also its capacity to serve as an effective preconditioner (start-up method) to other implicit techniques. [ABSTRACT FROM AUTHOR]

Centroidal Voronoi tessellation (CVT)-based mesh generation is a very effective technique for creating high-quality Voronoi meshes and their dual Delaunay triangulations that often play a crucial role in applications, including ocean and atmospheric simulations using finite volume schemes. In the next generation climate models, the spacing scales change dramatically across the whole sphere and require ultra-high resolution and smooth transitions from coarse to fine grid regions. Thus fast and robust spherical CVT (SCVT) meshing algorithms become highly desirable. In this paper, we first propose a Lloyd-preconditioned limited-memory BFGS method for constructing SCVTs that is also applicable to the construction of CVTs of general domains. This method is then parallelized based on overlapping domain decomposition, enabling excellent scalability on distributed systems. Results of several computational experiments show that the new method could incur computational time costs one order of magnitude smaller compared with some existing methods for generating large-scale highly variable-resolution meshes, while also providing significant improvements in mesh quality. [ABSTRACT FROM AUTHOR]

Abstract: We consider numerical algorithms for the simulation of hydrodynamics of two-dimensional vesicles suspended in a viscous Stokesian fluid. The motion of vesicles is governed by the interplay between hydrodynamic and elastic forces. Continuum models of vesicles use a two-phase fluid system with interfacial forces that include tension (to maintain local “surface” inextensibility) and bending. Vesicle flows are challenging to simulate. On the one hand, explicit time-stepping schemes suffer from a severe stability constraint due to the stiffness related to high-order spatial derivatives in the bending term. On the other hand, implicit time-stepping schemes can be expensive because they require the solution of a set of nonlinear equations at each time step. Our method is an extension of the work of Veerapaneni et al. [S.K. Veerapaneni, D. Gueyffier, D. Zorin, G. Biros, A boundary integral method for simulating the dynamics of inextensible vesicles suspended in a viscous fluid in 2D, Journal of Computational Physics 228(7) (2009) 2334–2353], in which a semi-implicit time-marching scheme based on a boundary integral formulation of the Stokes problem for vesicles in an unbounded medium was proposed. In this paper, we consider two important generalizations: (i) confined flows within arbitrary-shaped stationary/moving geometries; and (ii) flows in which the interior (to the vesicle) and exterior fluids have different viscosity. In the rest of the paper, we will refer to this as the “viscosity contrast”. These two problems require solving additional integral equations and cause nontrivial modifications to the previous numerical scheme. Our method does not have severe time-step stability constraints and its computational cost-per-time-step is comparable to that of an explicit scheme. The discretization is pseudo-spectral in space, and multistep BDF in time. We conduct numerical experiments to investigate the stability, accuracy and the computational cost of the algorithm. Overall, our method achieves several orders of magnitude speed-up compared to standard explicit schemes. As a preliminary validation of our scheme, we study the dependence of the inclination angle of a single vesicle in shear flow on the viscosity contrast and the reduced area of the vesicle, the lateral migration of vesicles in shear flow, the dispersion of two vesicles, and the effective viscosity of a dilute suspension of vesicles. [Copyright &y& Elsevier]

Abstract: This paper contributes to the state of the art in Cartesian-grid methods through development of new advection and reconstruction Volume-of-Fluid (VOF) algorithms which are applicable to two and three-dimensional flows. A computationally efficient and second-order VOF reconstruction method is presented which uses no inversions to determine the interface normal direction. Next, the lack of conservation of fluid volume in previous VOF advection methods are shown to be due to improper treatment of one-dimensional stretching in the velocity field. This paper uses simple explicit time stepping and a cell-center estimate of the volume fraction in the dilatation term to achieve a completely conservative advection method. The new methods are simple, robust and shown to out perform existing approaches for canonical test problems relevant to breaking wave flows. [Copyright &y& Elsevier]

Abstract: In this paper we report an efficient numerical method combining a staggered arbitrary Lagrangian Eulerian (ALE) formulation with the adaptive mesh refinement (AMR) method for materials modeling including elastic–plastic flows, material failure, and fragmentation predictions. Unlike traditional AMR applied on fixed domains, our investigation focuses on the application to moving and deforming meshes resulting from Lagrangian motion. We give details of this numerical method with a capability to simulate elastic–plastic flows and predict material failure and fragmentation, and our main focus of this paper is to create an efficient method which combines ALE and AMR methods to simulate the dynamics of material responses with deformation and failure mechanisms. The interlevel operators and boundary conditions for these problems in AMR meshes have been investigated, and error indicators to locate material deformation and failure regions are studied. The method has been applied on several test problems, and the solutions of the problems obtained with the ALE–AMR method are reported. Parallel performance and software design for the ALE–AMR method are also discussed. [Copyright &y& Elsevier]

Abstract: This paper presents a parallel Eulerian/Lagrangian multi-scale coupling procedure for two-phase flows. At the fully resolved scale, the dynamically evolving phase interface is tracked using a Eulerian approach. In regions of the flow, where the phase interface geometry can no longer be resolved adequately, separated, small scale liquid structures are described by a Lagrangian point particle approach. The coupling procedure of these two descriptions consists of an efficient parallel algorithm that identifies tracked liquid candidate structures, removes them from the resolved Eulerian description, and inserts them into the Lagrangian description preserving their position, mass, momentum, and lower order shape. While in principle applicable to level set, Volume of Fluid, and marker particle interface tracking methods for the fully resolved scale, this paper focuses on examples from atomization simulations using the refined level set grid method. [Copyright &y& Elsevier]

Abstract: The effects of complex boundary conditions on flows are represented by a volume force in the immersed boundary methods. The problem with this representation is that the volume force exhibits non-physical oscillations in moving boundary simulations. A smoothing technique for discrete delta functions has been developed in this paper to suppress the non-physical oscillations in the volume forces. We have found that the non-physical oscillations are mainly due to the fact that the derivatives of the regular discrete delta functions do not satisfy certain moment conditions. It has been shown that the smoothed discrete delta functions constructed in this paper have one-order higher derivative than the regular ones. Moreover, not only the smoothed discrete delta functions satisfy the first two discrete moment conditions, but also their derivatives satisfy one-order higher moment condition than the regular ones. The smoothed discrete delta functions are tested by three test cases: a one-dimensional heat equation with a moving singular force, a two-dimensional flow past an oscillating cylinder, and the vortex-induced vibration of a cylinder. The numerical examples in these cases demonstrate that the smoothed discrete delta functions can effectively suppress the non-physical oscillations in the volume forces and improve the accuracy of the immersed boundary method with direct forcing in moving boundary simulations. [Copyright &y& Elsevier]

Abstract: In this paper, a finite difference code for Direct and Large Eddy Simulation (DNS/LES) of incompressible flows is presented. This code is an intermediate tool between fully spectral Navier–Stokes solvers (limited to academic geometry through Fourier or Chebyshev representation) and more versatile codes based on standard numerical schemes (typically only second-order accurate). The interest of high-order schemes is discussed in terms of implementation easiness, computational efficiency and accuracy improvement considered through simplified benchmark problems and practical calculations. The equivalence rules between operations in physical and spectral spaces are efficiently used to solve the Poisson equation introduced by the projection method. It is shown that for the pressure treatment, an accurate Fourier representation can be used for more flexible boundary conditions than periodicity or free-slip. Using the concept of the modified wave number, the incompressibility can be enforced up to the machine accuracy. The benefit offered by this alternative method is found to be very satisfactory, even when a formal second-order error is introduced locally by boundary conditions that are neither periodic nor symmetric. The usefulness of high-order schemes combined with an immersed boundary method (IBM) is also demonstrated despite the second-order accuracy introduced by this wall modelling strategy. In particular, the interest of a partially staggered mesh is exhibited in this specific context. Three-dimensional calculations of transitional and turbulent channel flows emphasize the ability of present high-order schemes to reduce the computational cost for a given accuracy. The main conclusion of this paper is that finite difference schemes with quasi-spectral accuracy can be very efficient for DNS/LES of incompressible flows, while allowing flexibility for the boundary conditions and easiness in the code development. Therefore, this compromise fits particularly well for very high-resolution simulations of turbulent flows with relatively complex geometries without requiring heavy numerical developments. [Copyright &y& Elsevier]

Abstract: In this paper, a second-order scheme for the Quiet Direct Simulation (QDS) of Eulerian fluids is proposed. The QDS method replaces the random sampling method used in Direct Simulation Monte Carlo (DSMC) methods with a technique whereby particles are moved, have their properties distributed onto a mesh, are destroyed and then are recreated deterministically from the properties stored on the mesh using Gauss–Hermite quadrature weights and abscissas. Particles are permitted to move in physically realistic directions so flux exchange is not limited to cells sharing an adjacent interface as in conventional, direction decoupled finite volume solvers. In this paper the method is extended by calculating the fluxes of mass, momentum and energy between cells assuming a linear variation of density, temperature and velocity in each cell and using these fluxes to update the mass, velocity and internal energy carried by each particle. This Euler solver has several advantages including large dynamic range, no statistical scatter in the results, true direction fluxes to all nearby neighbors and is computationally inexpensive. The second-order method is found to reduce the numerical diffusion of QDS as demonstrated in several verification studies. These include unsteady shock tube flow, a two-dimensional blast wave and of the development of Mach 3 flow over a forward facing step in a wind tunnel, which are compared with previous results from the literature wherever is possible. Finally the implementation of QUIETWAVE, a rapid method of simulating blast events in urban environments, is introduced and the results of a test case are presented. [Copyright &y& Elsevier]

Abstract: A new immersed boundary method based on vorticity–velocity formulations for the simulation of 2D incompressible viscous flow is proposed in present paper. The velocity and vorticity are respectively divided into two parts: one is the velocity and vorticity without the influence of the immersed boundary, and the other is the corrected velocity and the corrected vorticity derived from the influence of the immersed boundary. The corrected velocity is obtained from the multi-direct forcing to ensure the well satisfaction of the no-slip boundary condition at the immersed boundary. The corrected vorticity is derived from the vorticity transport equation. The third-order Runge–Kutta for time stepping, the fourth-order finite difference scheme for spatial derivatives and the fourth-order discretized Poisson for solving velocity are applied in present flow solver. Three cases including decaying vortices, flow past a stationary circular cylinder and an in-line oscillating cylinder in a fluid at rest are conducted to validate the method proposed in this paper. And the results of the simulations show good agreements with previous numerical and experimental results. This indicates the validity and the accuracy of present immersed boundary method based on vorticity–velocity formulations. [Copyright &y& Elsevier]

Upwind schemes were judged inappropriate for performing accurate large eddy simulations of turbulent flow owing to the artificial dissipation that is present at high wavenumbers of the energy content. Such a conclusion has been drawn also from some results obtained by adopting Finite Difference schemes. The present paper illustrates the performances of some new Finite Volume upwind discretization of the convective terms in the case of the 1-D Burgers model equation while studying the effects of numerical discretization on several Sub-Grid Scales turbulence models, starting from the classical static and dynamic eddy viscosity models through the recent deconvolution-based ones. Basing on previously published papers, large eddy simulations along with a deconvolution-based procedure for de-filtering the evolving variable, have been originally developed and applied. It will be shown how the coherent application of the procedure allows us to develop high-order accurate Finite Volume upwind schemes, which maintain a good spectral resolution in the entire range of resolved scale. Such schemes can be candidate for performing accurate simulations of real turbulence. [Copyright &y& Elsevier]

Vesicle suspensions appear in many biological and industrial applications. These suspensions are characterized by rich and complex dynamics of vesicles due to their interaction with the bulk fluid, and their large deformations and nonlinear elastic properties. Many existing state-of-the-art numerical schemes can resolve such complex vesicle flows. However, even when using provably optimal algorithms, these simulations can be computationally expensive, especially for suspensions with a large number of vesicles. These high computational costs can limit the use of simulations for parameter exploration, optimization, or uncertainty quantification. One way to reduce the cost is to use low-resolution discretizations in space and time. However, it is well-known that simply reducing the resolution results in vesicle collisions, numerical instabilities, and often in erroneous results. In this paper, we investigate the effect of a number of algorithmic empirical fixes (which are commonly used by many groups) in an attempt to make low-resolution simulations more stable and more predictive. Based on our empirical studies for a number of flow configurations, we propose a scheme that attempts to integrate these fixes in a systematic way. This low-resolution scheme is an extension of our previous work [51,53] . Our low-resolution correction algorithms (LRCA) include anti-aliasing and membrane reparametrization for avoiding spurious oscillations in vesicles' membranes, adaptive time stepping and a repulsion force for handling vesicle collisions and, correction of vesicles' area and arc-length for maintaining physical vesicle shapes. We perform a systematic error analysis by comparing the low-resolution simulations of dilute and dense suspensions with their high-fidelity, fully resolved, counterparts. We observe that the LRCA enables both efficient and statistically accurate low-resolution simulations of vesicle suspensions, while it can be 10× to 100× faster. [ABSTRACT FROM AUTHOR]

Hourglassing is a well-known pathological numerical artifact affecting the robustness and accuracy of Lagrangian methods. There exist a large number of hourglass control/suppression strategies. In the community of the staggered compatible Lagrangian methods, the approach of sub-zonal pressure forces is among the most widely used. However, this approach is known to add numerical strength to the solution, which can cause potential problems in certain types of simulations, for instance in simulations of various instabilities. To avoid this complication, we have adapted the multi-scale residual-based stabilization typically used in the finite element approach for staggered compatible framework. In this paper, we describe two discretizations of the new approach and demonstrate their properties and compare with the method of sub-zonal pressure forces on selected numerical problems. [ABSTRACT FROM AUTHOR]

In this paper, we develop a high order semi-Lagrangian (SL) discontinuous Galerkin (DG) method for nonlinear Vlasov–Poisson (VP) simulations without operator splitting. In particular, we combine two recently developed novel techniques: one is the high order non-splitting SLDG transport method (Cai et al. (2017) [4] ), and the other is the high order characteristics tracing technique proposed in Qiu and Russo (2017) [29] . The proposed method with up to third order accuracy in both space and time is locally mass conservative, free of splitting error, positivity-preserving, stable and robust for large time stepping size. The SLDG VP solver is applied to classic benchmark test problems such as Landau damping and two-stream instabilities for VP simulations. Efficiency and effectiveness of the proposed scheme is extensively tested. Tremendous CPU savings are shown by comparisons between the proposed SL DG scheme and the classical Runge–Kutta DG method. [ABSTRACT FROM AUTHOR]

In this paper, we study porous media flows in heterogeneous stochastic media. We propose an efficient forward simulation technique that is tailored for variational Bayesian inversion. As a starting point, the proposed forward simulation technique decomposes the solution into the sum of separable functions (with respect to randomness and the space), where each term is calculated based on a variational approach. This is similar to Proper Generalized Decomposition (PGD). Next, we apply a multiscale technique to solve for each term (as in [1] ) and, further, decompose the random function into 1D fields. As a result, our proposed method provides an approximation hierarchy for the solution as we increase the number of terms in the expansion and, also, increase the spatial resolution of each term. We use the hierarchical solution distributions in a variational Bayesian approximation to perform uncertainty quantification in the inverse problem. We conduct a detailed numerical study to explore the performance of the proposed uncertainty quantification technique and show the theoretical posterior concentration. [ABSTRACT FROM AUTHOR]

This paper presents a method for simulating evaporation in a compressible, interface-resolved framework appropriate for modeling problems of engineering interest. In order to achieve robustness and broad applicability, the method has been designed to discretely enforce consistent mass and thermal energy transport at the phase interface, to globally conserve mass, momentum, and energy, and to be capable of modeling compressible and incompressible systems. Verification is performed via the Sod-shock test, one-dimensional heat conduction, evaporation from a planar interface, and evaporation of three-dimensional droplets. Convergence with increasing mesh resolution is demonstrated in all tested configurations, and conservation is maintained near machine precision for a translating droplet. Conservation and accurate phase change rates are preserved at the low numerical resolutions commonly encountered in engineering calculations. Following verification, the method is validated by comparison to an empirical correlation for evaporating droplets in high temperature crossflow, and the presentation concludes with the simulation of an iso-octane spray at conditions representative of gasoline direct injection. Successful verification, validation, and demonstrated practical utility suggest the method to be an accurate, efficient, and robust approach for the study of phase change in engineering systems. • Conservative, sharp-interface model for compressible phase change. • Discretely consistent interfacial transport with phase change. • Mixed implicit/explicit time integration at sharp interface. [ABSTRACT FROM AUTHOR]

In this paper, we proposed a new efficient high-order finite volume method for 3D elastic wave simulation on unstructured tetrahedral meshes. With the relative coarse tetrahedral meshes, we make subdivision in each tetrahedron to generate a stencil for the high-order polynomial reconstruction. The subdivision algorithm guarantees the number of subelements is greater than the degrees of freedom of a complete polynomial. We perform the reconstruction on this stencil by using cell-averaged quantities based on the hierarchical orthonormal basis functions. Unlike the traditional high-order finite volume method, our new method has a very local property like DG and can be written as an inner-split computational scheme which is beneficial to reducing computational amount. Moreover, the stencil in our method is easy to generate for all tetrahedrons especially in the three-dimensional case. The resulting reconstruction matrix is invertible and remains unchanged for all tetrahedrons and thus it can be pre-computed and stored before time evolution. These special advantages facilitate the parallelization and high-order computations. We show convergence results obtained with the proposed method up to fifth order accuracy in space. The high-order accuracy in time is obtained by the Runge–Kutta method. Comparisons between numerical and analytic solutions show the proposed method can provide accurate wavefield information. Numerical simulation for a realistic model with complex topography demonstrates the effectiveness and potential applications of our method. Though the method is proposed based on the 3D elastic wave equation, it can be extended to other linear hyperbolic system. [ABSTRACT FROM AUTHOR]

The fully implicit (FI) method is widely used for numerical modeling of multiphase flow and transport in porous media. The FI method is unconditionally stable, but that comes at the cost of a low-order approximation and high computational cost. The FI method entails iterative linearization and solution of fully-coupled linear systems with mixed elliptic/hyperbolic character. However, in methods that treat the near-elliptic (flow) and hyperbolic (transport) separately, such as multiscale formulations, sequential solution strategies are used to couple the flow (pressures and velocities) and the transport (saturations/compositions). The most common sequential schemes are: the implicit pressure explicit saturation (IMPES), and the sequential fully implicit (SFI) schemes. Problems of practical interest often involve tightly coupled nonlinear interactions between the multiphase flow and the multi-component transport. For such problems, the IMPES approach usually suffers from prohibitively small timesteps in order to obtain stable numerical solutions. The SFI method, on the other hand, does not suffer from a temporal stability limit, but the convergence rate can be extremely slow. This slow convergence rate of SFI can offset the gains obtained from separate and specialized treatments of the flow and transport problems. In this paper, we analyze the nonlinear coupling between flow and transport for compressible, compositional systems with complex interphase mass transfer. We isolate the nonlinear effects related to transmissibility and compressibility from those due to interphase mass transfer, and we propose a modified SFI (m-SFI) method. The new scheme involves enriching the ‘standard’ pressure equation with coupling between the pressure and the saturations/compositions. The modification resolves the convergence problems associated with SFI and provides a strong basis for using sequential formulations for general-purpose simulation. For a wide parameter range, we show that the proposed m-SFI algorithm is as robust as the FI method with a comparable convergence rate. [ABSTRACT FROM AUTHOR]

This paper examines linear algebraic solvers for a given general purpose compositional simulator. In particular, the decoupling stage of the constraint pressure residual (CPR) preconditioner for linear systems arising from the fully implicit scheme is evaluated. An asymptotic analysis of the convergence behavior is given when Δ t approaches zero. Based on this analysis, we propose an analytical decoupling technique, from which the pressure equation is directly related to an elliptic equation and can be solved efficiently. We show that this method ensures good convergence behavior of the algebraic solvers in a two-stage CPR-type preconditioner. We also propose a semi-analytical decoupling strategy that combines the analytical method and alternate block factorization method. Numerical experiments demonstrate the superior performance of the analytical and semi-analytical decoupling methods compared to existing methods. [ABSTRACT FROM AUTHOR]

In this paper, we propose a novel domain decomposition method for large-scale simulations in continuum mechanics by merging the concepts of Centroidal Voronoi Tessellation (CVT) and Voronoi Particle dynamics (VP). The CVT is introduced to achieve a high-level compactness of the partitioning subdomains by the Lloyd algorithm which monotonically decreases the CVT energy. The number of computational elements between neighboring partitioning subdomains, which scales the communication effort for parallel simulations, is optimized implicitly as the generated partitioning subdomains are convex and simply connected with small aspect-ratios. Moreover, Voronoi Particle dynamics employing physical analogy with a tailored equation of state is developed, which relaxes the particle system towards the target partition with good load balance. Since the equilibrium is computed by an iterative approach, the partitioning subdomains exhibit locality and the incremental property. Numerical experiments reveal that the proposed Centroidal Voronoi Particle (CVP) based algorithm produces high-quality partitioning with high efficiency, independently of computational-element types. Thus it can be used for a wide range of applications in computational science and engineering. [ABSTRACT FROM AUTHOR]

In this paper, we develop new techniques for solving the large, coupled linear systems that arise from fully implicit Runge–Kutta methods. This method makes use of the iterative preconditioned GMRES algorithm for solving the linear systems, which has seen success for fluid flow problems and discontinuous Galerkin discretizations. By transforming the resulting linear system of equations, one can obtain a method which is much less computationally expensive than the untransformed formulation, and which compares competitively with other time-integration schemes, such as diagonally implicit Runge–Kutta (DIRK) methods. We develop and test several ILU-based preconditioners effective for these large systems. We additionally employ a parallel-in-time strategy to compute the Runge–Kutta stages simultaneously. Numerical experiments are performed on the Navier–Stokes equations using Euler vortex and 2D and 3D NACA airfoil test cases in serial and in parallel settings. The fully implicit Radau IIA Runge–Kutta methods compare favorably with equal-order DIRK methods in terms of accuracy, number of GMRES iterations, number of matrix–vector multiplications, and wall-clock time, for a wide range of time steps. [ABSTRACT FROM AUTHOR]

Architect, a time explicit hybrid code designed to perform quick simulations for electron driven plasma wakefield acceleration, is described. In order to obtain beam quality acceptable for applications, control of the beam-plasma-dynamics is necessary. Particle in Cell (PIC) codes represent the state-of-the-art technique to investigate the underlying physics and possible experimental scenarios; however PIC codes demand the necessity of heavy computational resources. Architect code substantially reduces the need for computational resources by using a hybrid approach: relativistic electron bunches are treated kinetically as in a PIC code and the background plasma as a fluid. Cylindrical symmetry is assumed for the solution of the electromagnetic fields and fluid equations. In this paper both the underlying algorithms as well as a comparison with a fully three dimensional particle in cell code are reported. The comparison highlights the good agreement between the two models up to the weakly non-linear regimes. In highly non-linear regimes the two models only disagree in a localized region, where the plasma electrons expelled by the bunch close up at the end of the first plasma oscillation. [ABSTRACT FROM AUTHOR]

For many simulation models, it can be prohibitively expensive or physically infeasible to obtain a complete set of experimental data to calibrate model parameters. In such cases, one can alternatively employ validated higher-fidelity codes to generate simulated data, which can be used to calibrate the lower-fidelity code. In this paper, we employ an information-theoretic framework to determine the reduction in parameter uncertainty that is obtained by evaluating the high-fidelity code at a specific set of design conditions. These conditions are chosen sequentially, based on the amount of information that they contribute to the low-fidelity model parameters. The goal is to employ Bayesian experimental design techniques to minimize the number of high-fidelity code evaluations required to accurately calibrate the low-fidelity model. We illustrate the performance of this framework using heat and diffusion examples, a 1-D kinetic neutron diffusion equation, and a particle transport model, and include initial results from the integration of the high-fidelity thermal-hydraulics code Hydra-TH with a low-fidelity exponential model for the friction correlation factor. [ABSTRACT FROM AUTHOR]

In this paper we perform a Fourier stability analysis of MC-CMFD, a hybrid Monte Carlo k -eigenvalue method that utilizes coarse mesh finite difference (CMFD) feedback. The MC-CMFD method is nonlinear and contains random statistical errors; both of these features are inconsistent with the direct application of a Fourier stability analysis. To accomplish this analysis, we first formulate a non-random iteration method that approximates MC-CMFD, by assuming an infinite number of Monte Carlo particles per cycle. Then we (i) linearize this method, and (ii) Fourier-analyze the linearized method to theoretically predict its convergence properties. Finally, we demonstrate by direct numerical simulations that the Fourier analysis of the linearized non-random method accurately predicts the stability and fission source convergence rate (during the inactive cycles) of the original nonlinear MC-CMFD method. We do this by comparing the predictions of the Fourier analysis to simulations that utilize (i) a high-fidelity S N -CMFD code (which has no random statistical errors), and (ii) a MC-CMFD code (which has random statistical errors). The Fourier analysis and our two test codes confirm that the MC-CMFD method is stable if the optical thickness of the coarse grid (in the low-order CMFD calculation) is sufficiently small. However, the spectral radius increases monotonically with the coarse grid size, and if the latter exceeds a critical value, the MC-CMFD method becomes unstable. We discuss some implications of our results for practical MC-CMFD simulations. [ABSTRACT FROM AUTHOR]

The new code TOKAM3X simulates plasma turbulence in full torus geometry including the open field lines of the Scrape-off Layer (SOL) and the edge closed field lines region in the vicinity of the separatrix. Based on drift-reduced Braginskii equations, TOKAM3X is able to simulate both limited and diverted plasmas. Turbulence is flux driven by incoming particles from the core plasma and no scale separation between the equilibrium and the fluctuations is assumed so that interactions between large scale flows and turbulence are consistently treated. Based on a domain decomposition, specific numerical schemes are proposed using conservative finite-differences associated to a semi-implicit time advancement. The process computation is multi-threaded and based on MPI and OpenMP libraries. In this paper, fluid model equations are presented together with the proposed numerical methods. The code is verified using the manufactured solution technique and validated through documented simple experiments. Finally, first simulations of edge plasma turbulence in X-point geometry are also introduced in a JET geometry. [ABSTRACT FROM AUTHOR]

The invariant preserving property is one of the guiding principles for numerical algorithms in solving wave equations, in order to minimize phase and amplitude errors after long time simulation. In this paper, we design, analyze and numerically validate a Hamiltonian preserving discontinuous Galerkin method for solving the Korteweg–de Vries (KdV) equation. For the generalized KdV equation, the semi-discrete formulation is shown to preserve both the first and the third conserved integrals, and approximately preserve the second conserved integral; for the linearized KdV equation, all the first three conserved integrals are preserved, and optimal error estimates are obtained for polynomials of even degree. The preservation properties are also maintained by the fully discrete DG scheme. Our numerical experiments demonstrate both high accuracy of convergence and preservation of all three conserved integrals for the generalized KdV equation. We also show that the shape of the solution, after long time simulation, is well preserved due to the Hamiltonian preserving property. [ABSTRACT FROM AUTHOR]