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We introduce a high-order space-time approximation of the Shallow Water Equations with sources that is invariant-domain preserving (IDP) and well-balanced with respect to rest states. The employed time-stepping technique is a novel explicit Runge-Kutta (ERK) approach which is an extension of the class of ERK-IDP methods introduced by Ern and Guermond (SIAM J. Sci. Comput. 44(5), A3366--A3392, 2022) for systems of non-linear conservation equations. The resulting method is then numerically illustrated through verification and validation., Comment: 29 pages, 9 figures

We study numerically and analytically how the Dyakonov-Shur instability for a two-dimensional (2D) inviscid electronic fluid in a long channel can be affected by an external, out-of-plane static magnetic field. By linear stability analysis for a model based on the shallow-water equations, we describe the discrete spectrum of frequencies. When the fluid system is near the subsonic-to-supersonic transition point, a magnetically controlled gap between the stability and instability spectra of the complex eigen-frequencies is evident by our computations. This suggests that, within this model, the passage from stability to instability (and vice versa) is no longer continuous in the effective Mach parameter of the boundary conditions. We also demonstrate that the growth exponents are enhanced by the magnetic field. In a regime of weak magnetic fields, we derive a scaling law for the eigen-frequencies by perturbation theory. We discuss theoretical implications of our results in efforts to generate terahertz electromagnetic radiation by 2D electronic transport.

We present a graph-based numerical method for solving hyperbolic systems of conservation laws using discontinuous finite elements. This work fills important gaps in the theory as well as practice of graph-based schemes. In particular, four building blocks required for the implementation of flux-limited graph-based methods are developed and tested: a first-order method with mathematical guarantees of robustness; a high-order method based on the entropy viscosity technique; a procedure to compute local bounds; and a convex limiting scheme. Two important features of the current work are the fact that (i) boundary conditions are incorporated into the mathematical theory as well as the implementation of the scheme. For instance, the first-order version of the scheme satisfies pointwise entropy inequalities including boundary effects for any boundary data that is admissible; (ii) sub-cell limiting is built into the convex limiting framework. This is in contrast to the majority of the existing methodologies that consider a single limiter per cell providing no sub-cell limiting capabilities. From a practical point of view, the implementation of graph-based methods is algebraic, meaning that they operate directly on the stencil of the spatial discretization. In principle, these methods do not need to use or invoke loops on cells or faces of the mesh. Finally, we verify convergence rates on various well-known test problems with differing regularity. We propose a simple test in order to verify the implementation of boundary conditions and their convergence rates.

The paper focuses on first-order invariant-domain preserving approximations of hyperbolic systems. We propose a new way to estimate the artificial viscosity that has to be added to make explicit, conservative, consistent numerical methods invariant-domain preserving and entropy inequality compliant. Instead of computing an upper bound on the maximum wave speed in Riemann problems, we estimate a minimum wave speed in the said Riemann problems such that the approximation satisfies predefined invariant-domain properties and predefined entropy inequalities. This technique eliminates non-essential fast waves from the construction of the artificial viscosity, while preserving pre-assigned invariant-domain properties and entropy inequalities.

This paper describes a class of shape optimization problems for optical metamaterials comprised of periodic microscale inclusions composed of a dielectric, low-dimensional material suspended in a non-magnetic bulk dielectric. The shape optimization approach is based on a homogenization theory for time-harmonic Maxwell's equations that describes effective material parameters for the propagation of electromagnetic waves through the metamaterial. The control parameter of the optimization is a deformation field representing the deviation of the microscale geometry from a reference configuration of the cell problem. This allows for describing the homogenized effective permittivity tensor as a function of the deformation field. We show that the underlying deformed cell problem is well-posed and regular. This, in turn, proves that the shape optimization problem is well-posed. In addition, a numerical scheme is formulated that utilizes an adjoint formulation with either gradient descent or BFGS as optimization algorithms. The developed algorithm is tested numerically on a number of prototypical shape optimization problems with a prescribed effective permittivity tensor as the target.

This paper is concerned with the approximation of the compressible Euler equations supplemented with an arbitrary or tabulated equation of state. The proposed approximation technique is robust, formally second-order accurate in space, invariant-domain preserving, and works for every equation of state, tabulated or analytic, provided the pressure is nonnegative. An entropy surrogate functional that grows across shocks is proposed. The numerical method is verified with novel analytical solutions and then validated with several computational benchmarks seen in the literature.

We discuss structure-preserving numerical discretizations for repulsive and attractive Euler-Poisson equations that find applications in fluid-plasma and self-gravitation modeling. The scheme is fully discrete and structure preserving in the sense that it maintains a discrete energy law, as well as hyperbolic invariant domain properties, such as positivity of the density and a minimum principle of the specific entropy. A detailed discussion of algorithmic details is given, as well as proofs of the claimed properties. We present computational experiments corroborating our analytical findings and demonstrating the computational capabilities of the scheme.

This paper describes in detail the implementation of a finite element technique for solving the compressible Navier-Stokes equations that is provably robust and demonstrates excellent performance on modern computer hardware. The method is second-order accurate in time and space. Robustness here means that the method is proved to be invariant domain preserving under the hyperbolic CFL time step restriction, and the method delivers results that are reproducible. The proposed technique is shown to be accurate on challenging 2D and 3D realistic benchmarks.

We explain the Lorentz resonances in plasmonic crystals that consist of 2D nano dielectric inclusions as the interaction between resonant material properties and geometric resonances of electrostatic nature. One example of such plasmonic crystals are graphene nanosheets that are periodically arranged within a non-magnetic bulk dielectric. We identify local geometric resonances on the length scale of the small scale period. From a materials perspective, the graphene surface exhibits a dispersive surface conductance captured by the Drude model. Together these phenomena conspire to generate Lorentz resonances at frequencies controlled by the surface geometry and the surface conductance. The Lorentz resonances found in the frequency response of the effective dielectric tensor of the bulk metamaterial is shown to be given by an explicit formula, in which material properties and geometric resonances are decoupled. This formula is rigorous and obtained directly from corrector fields describing local electrostatic fields inside the heterogeneous structure. Our analytical findings can serve as an efficient computational tool to describe the general frequency dependence of periodic optical devices. As a concrete example, we investigate two prototypical geometries composed of nanotubes and nanoribbons.

We present a fully discrete approximation technique for the compressible Navier-Stokes equations that is second-order accurate in time and space, semi-implicit, and guaranteed to be invariant domain preserving. The restriction on the time step is the standard hyperbolic CFL condition, ie $\tau \lesssim \mathcal{O}(h)/V$ where $V$ is some reference velocity scale and $h$ the typical meshsize.

We discuss the efficient implementation of a high-performance second-order collocation-type finite-element scheme for solving the compressible Euler equations of gas dynamics on unstructured meshes. The solver is based on the convex limiting technique introduced by Guermond et al. (SIAM J. Sci. Comput. 40, A3211-A3239, 2018). As such it is invariant-domain preserving, i.e., the solver maintains important physical invariants and is guaranteed to be stable without the use of ad-hoc tuning parameters. This stability comes at the expense of a significantly more involved algorithmic structure that renders conventional high-performance discretizations challenging. We develop an algorithmic design that allows SIMD vectorization of the compute kernel, identify the main ingredients for a good node-level performance, and report excellent weak and strong scaling of a hybrid thread/MPI parallelization.

We study optical coefficients that characterize wave propagation through layered structures called plasmonic crystals. These consist of a finite number of stacked metallic sheets embedded in dielectric hosts with a subwavelength spacing. By adjustment of the frequency, spacing, number as well as geometry of the layers, these structures may exhibit appealing transmission properties in a range of frequencies from the terahertz to the mid-infrared regime. Our approach uses a blend of analytical and numerical methods for the distinct geometries with infinite, translation invariant, flat sheets and nanoribbons. We describe the transmission of plane waves through a plasmonic crystal in comparison to an effective dielectric slab of equal total thickness that emerges from homogenization, in the limit of zero interlayer spacing. We demonstrate numerically that the replacement of the discrete plasmonic crystal by its homogenized counterpart can accurately capture a transmission coefficient akin to the extinction spectrum, even for a relatively small number of layers. We point out the role of a geometry-dependent corrector field, which expresses the effect of subwavelength surface plasmons. In particular, by use of the corrector we describe lateral resonances inherent to the nanoribbon geometry.

We discuss a quartic eigenvalue problem arising in the context of an optical waveguiding problem involving atomically thick 2D materials. The waveguide configuration we consider consists of a gradient-index (spatially dependent) dielectric equipped with conducting interior interfaces. This leads to a quartic eigenvalue problem with mixed transverse electric and transverse magnetic modes, and strongly coupled electric and magnetic fields. We derive a weak formulation of the quartic eigenvalue problem and introduce a numerical solver based on a quadratification approach in which the quartic eigenvalue problem is transformed to a spectrally equivalent companion problem. We verify our numerical framework against analytical solutions for prototypical geometries. As a practical example, we demonstrate how an improved quality factor (defined by the ratio of the real and the imaginary part of the computed eigenvalues) can be obtained for a family of gradient-index host materials with internal conducting interfaces. We outline how this result lays the groundwork for solving related shape optimization problems.

deal.II is a state-of-the-art finite element library focused on generality, dimension-independent programming, parallelism, and extensibility. Herein, we outline its primary design considerations and its sophisticated features such as distributed meshes, $hp$-adaptivity, support for complex geometries, and matrix-free algorithms. But deal.II is more than just a software library: It is also a diverse and worldwide community of developers and users, as well as an educational platform. We therefore also discuss some of the technical and social challenges and lessons learned in running a large community software project over the course of two decades., Comment: 36 pages, 3 figures

By an integral equation approach to the time-harmonic classical Maxwell equations, we describe the dispersion in the nonretarded frequency regime of the edge plasmon-polariton (EPP) on a semi-infinite flat sheet. The sheet has an arbitrary, physically admissible, tensor valued and spatially homogeneous conductivity, and serves as a model for a family of two-dimensional conducting materials. We formulate a system of integral equations for the electric field tangential to the sheet in a homogeneous and isotropic ambient medium. We show how this system is simplified via a length scale separation. This view entails the quasi-electrostatic approximation, by which the tangential electric field is replaced by the gradient of a scalar potential, $\varphi$. By the Wiener-Hopf method, we solve an integral equation for $\varphi$ in some generality. The EPP dispersion relation comes from the elimination of a divergent limiting Fourier integral for $\varphi$ at the edge. We connect the existence, or lack thereof, of the EPP dispersion relation to the index for Wiener-Hopf integral equations, an integer of topological character. We indicate that the values of this index may express an asymmetry due to the material anisotropy in the number of wave modes propagating on the sheet away from the edge with respect to the EPP direction of propagation. We discuss extensions such as the setting of two semi-infinite, coplanar sheets. Our theory forms a generalization of the treatment by Volkov and Mikhailov (1988 Sov. Phys. JETP 67 1639).

Plasmonic crystals are a class of optical metamaterials that consist of engineered structures at the sub-wavelength scale. They exhibit optical properties that are not found under normal circumstances in nature, such as negative-refractive-index and epsilon-near-zero (ENZ) behavior. Graphene-based plasmonic crystals present linear, elliptical, or hyperbolic dispersion relations that exhibit ENZ behavior, normal or negative-index diffraction. The optical properties can be dynamically tuned by controlling the operating frequency and the doping level of graphene. We propose a construction approach to expand the frequency range of the ENZ behavior. We demonstrate how the combination of a host material with an optical Lorentzian response in combination with a graphene conductivity that follows a Drude model leads to an ENZ condition spanning a large frequency range.

By using an asymptotic analysis and numerical simulations, we derive and investigate a system of homogenized Maxwell's equations for conducting material sheets that are periodically arranged and embedded in a heterogeneous and anisotropic dielectric host. This structure is motivated by the need to design plasmonic crystals that enable the propagation of electromagnetic waves with no phase delay (epsilon-near-zero effect). Our microscopic model incorporates the surface conductivity of the two-dimensional (2D) material of each sheet and a corresponding line charge density through a line conductivity along possible edges of the sheets. Our analysis generalizes averaging principles inherent in previous Bloch-wave approaches. We investigate physical implications of our findings. In particular, we emphasize the role of the vector-valued corrector field, which expresses microscopic modes of surface waves on the 2D material. We demonstrate how our homogenization procedure may set the foundation for computational investigations of: effective optical responses of reasonably general geometries, and complicated design problems in the plasmonics of 2D materials.

We discuss analytically and numerically the propagation and energy transmission of electromagnetic waves caused by the coupling of surface plasmon polaritons (SPPs) between two spatially separated layers of 2D materials, such as graphene, at subwavelength distances. We construct an adaptive finite-element method to compute the ratio of energy transmitted within these waveguide structures reliably and efficiently. At its heart, the method is built upon a goal-oriented a posteriori error estimation with the dual-weighted residual method (DWR). Further, we derive analytic solutions of the two-layer system, compare those to (known) single-layer configurations, and compare and validate our numerical findings by comparing numerical and analytical values for optimal spacing of the two-layer configuration. Additional aspects of our numerical treatment, such as local grid refinement, and the utilization of perfectly matched layers (PMLs) are examined in detail.

We carry out the homogenization of time-harmonic Maxwell's equations in a periodic, layered structure made of two-dimensional (2D) metallic sheets immersed in a heterogeneous and in principle anisotropic dielectric medium. In this setting, the tangential magnetic field exhibits a jump across each sheet. Our goal is the rigorous derivation of the effective dielectric permittivity of the system from the solution of a local cell problem via suitable averages. Each sheet has a fine-scale, inhomogeneous and possibly anisotropic surface conductivity that scales linearly with the microstructure scale, $d$. Starting with the weak formulation of the requisite boundary value problem, we prove the convergence of its solution to a homogenization limit as $d$ approaches zero. The effective permittivity and cell problem express a bulk average from the host dielectric and a surface average germane to the 2D material (metallic layer). We discuss implications of this analysis in the modeling of plasmonic crystals.

We demonstrate analytically and numerically that the dispersive Dirac cone emulating an epsilon-near-zero (ENZ) behavior is a universal property within a family of plasmonic crystals consisting of two-dimensional (2D) metals. Our starting point is a periodic array of 2D metallic sheets embedded in an inhomogeneous and anisotropic dielectric host that allows for propagation of transverse-magnetic (TM) polarized waves. By invoking a systematic bifurcation argument for arbitrary dielectric profiles in one spatial dimension, we show how TM Bloch waves experience an effective dielectric function that averages out microscopic details of the host medium. The corresponding effective dispersion relation reduces to a Dirac cone when the conductivity of the metallic sheet and the period of the array satisfy a critical condition for ENZ behavior. Our analytical findings are in excellent agreement with numerical simulations.

The hyperbolic phonon-polaritons within the Reststrahlen band of hBN are of great interest for applications in nanophotonics as they are capable of propagating light signals with low losses over large distances. However, due to the phononic nature of the polaritons in hBN, amplitude modulation of its signal proves to be difficult and has been underexplored. In this paper, we propose theoretically a broadband efficient amplitude modulator for hyperbolic rays in hBN operating in the frequency range between 1450 cm$^{-1}$ and 1550 cm$^{-1}$. The modulating region comprises a few tens of nanometers wide gap carved within the hBN slab and covered by a graphene layer, where electrostatically gated graphene serves as a mediator that facilitates the coupling between phonon-polaritons on each side of the gap through plasmonic modes within graphene. We demonstrate that such an ultra compact modulator has insertion losses as low as 3 dB and provides modulation depth varying between 14 and 20 dB within the type-II hyperbolicity region of hBN.

We propose a new heuristic goal-oriented a posteriori error estimator that connects the dual weighted residual method with equilibrated a posteriori error estimation. Our numerical experiments demonstrate the practical reliability of the error estimator, confirming theoretical predictions, as well as optimally convergent adaptivity even over singular domains and coarse meshes. The central algorithm is a localized flux reconstruction, which has been implemented in the finite element library deal.II. For a solid preparation we assess the performance of the equilibrated a posteriori error estimator of the energy norm in numerical experiments. Moreover, we give what seems to be first rigorous discussion in the numerical literature of localized flux reconstruction over quadrilateral meshes with hanging nodes., Comment: 28 pages

By using numerical and analytical methods, we describe the generation of fine-scale lateral electromagnetic waves, called surface plasmon-polaritons (SPPs), on atomically thick, metamaterial conducting sheets in two spatial dimensions (2D). Our computations capture the two-scale character of the total field and reveal how each edge of the sheet acts as a source of an SPP that may dominate the diffracted field. We use the finite element method to numerically implement a variational formulation for a weak discontinuity of the tangential magnetic field across a hypersurface. An adaptive, local mesh refinement strategy based on a posteriori error estimators is applied to resolve the pronounced two-scale character of wave propagation and radiation over the metamaterial sheet. We demonstrate by numerical examples how a singular geometry, e.g., sheets with sharp edges, and sharp spatial changes in the associated surface conductivity may significantly influence surface plasmons in nanophotonics.

By formally invoking the Wiener-Hopf method, we explicitly solve a one-dimensional, singular integral equation for the excitation of a slowly decaying electromagnetic wave, called surface plasmon-polariton (SPP), of small wavelength on a semi-infinite, flat conducting sheet irradiated by a plane wave in two spatial dimensions. This setting is germane to wave diffraction by edges of large sheets of single-layer graphene. Our analytical approach includes: (i) formulation of a functional equation in the Fourier domain; (ii) evaluation of a split function, which is expressed by a contour integral and is a key ingredient of the Wiener-Hopf factorization; and (iii) extraction of the SPP as a simple-pole residue of a Fourier integral. Our analytical solution is in good agreement with a finite-element numerical computation.

This paper introduces a novel framework for model adaptivity in the context of heterogeneous multiscale problems. The framework is based on the idea to interpret model adaptivity as a minimization problem of local error indicators, that are derived in the general context of the Dual Weighted Residual (DWR) method. Based on the optimization approach a post-processing strategy is formulated that lifts the requirement of strict a priori knowledge about applicability and quality of effective models. This allows for the systematic, "goal-oriented" tuning of effective models with respect to a quantity of interest. The framework is tested numerically on elliptic diffusion problems with different types of heterogeneous, random coefficients, as well as an advection-diffusion problem with strong microscopic, random advection field.

We formulate and validate a finite element approach to the propagation of a slowly decaying electromagnetic wave, called surface plasmon-polariton, excited along a conducting sheet, e.g., a single-layer graphene sheet, by an electric Hertzian dipole. By using a suitably rescaled form of time-harmonic Maxwell's equations, we derive a variational formulation that enables a direct numerical treatment of the associated class of boundary value problems by appropriate curl-conforming finite elements. The conducting sheet is modeled as an idealized hypersurface with an effective electric conductivity. The requisite weak discontinuity for the tangential magnetic field across the hypersurface can be incorporated naturally into the variational formulation. We carry out numerical simulations for an infinite sheet with constant isotropic conductivity embedded in two spatial dimensions; and validate our numerics against the closed-form exact solution obtained by the Fourier transform in the tangential coordinate. Numerical aspects of our treatment such as an absorbing perfectly matched layer, as well as local refinement and a-posteriori error control are discussed.

This paper provides an overview of the new features of the finite element library deal.II version 8.1., Comment: v4: for deal.II version 8.1 v3: minor fixes. v2: correct the citation inside the article