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At least 91 records · Page 5

Preserving Superconvergence of Spectral Elements for Curved Domains via $h$ and $p$-Geometric Refinement

Spectral element methods (SEM), extensions of finite element methods (FEM), have emerged as significant techniques for solving partial differential equations in physics and engineering. SEM can potentially deliver superior accuracy due to the potential superconvergence in nodal solutions for well-shaped tensor-product elements. However, the accuracy of SEM often degrades in complex geometries due to geometric inaccuracies near curved boundaries and the loss of superconvergence with simplicial or non-tensor-product elements. To overcome the first issue, we propose using h- and p-geometric refinement, which refines the mesh near high-curvature regions and increases the degree of geometric basis functions, respectively. We show that when using mixed-element meshes with tensor-product elements in the interior of the domain, curvature-based geometric refinement near boundaries can improve the accuracy of the interior elements by reducing pollution errors and preserving the superconvergence in nodal solutions. To address the second issue, we introduce a post-processing technique using the adaptive extended stencil finite element method (AES-FEM) to recover the accuracy near the curved boundaries. The combination of curvature-based geometric refinement and accurate post-processing offers an effective and easier-to-implement alternative to methods reliant on exact geometries. We demonstrate our techniques by solving the convection-diffusion equation in 2D and show up to two orders of magnitude of improvement in the solution accuracy, even when the elements are poorly shaped near boundaries.

97 MATHEMATICS AND COMPUTING↗

NekRS, a GPU-accelerated spectral element Navier–Stokes solver

The development of NekRS, a GPU-oriented thermal-fluids simulation code based on the spectral element method (SEM) is described. For performance portability, the code is based on the open concurrent compute abstraction and leverages scalable developments in the SEM code Nek5000 and in libParanumal, which is a library of high-performance kernels for high-order discretizations and PDE-based miniapps. Critical performance sections of the Navier–Stokes time advancement are addressed. Performance results on several platforms are presented here, including scaling to 27,648 V100s on OLCF Summit, for calculations of up to 60B gridpoints.

97 MATHEMATICS AND COMPUTING↗

Preserving Superconvergence of Spectral Elements for Curved Domains via h and p-Geometric Refinement [Slides]

Spectral element methods (SEM) are extensions of finite element methods (FEM) that employ Gauss-Lobatto or similar nodes instead of equidistant nodes for high-order elements. SEM can deliver superior accuracy compared to equidistant FEM due to potential superconvergence. However, significant challenges remain for domains with curved boundaries, which have limited the advantages of SEM for real-world applications. In this work, we propose a novel approach to bolster the overall accuracy and preserve the superconvergence of SEM over curved domains.

97 MATHEMATICS AND COMPUTING↗

Mortandad Canyon seismic modeling (Progress Report)

The goal of this project is to assess site amplification for LANL through modeling of site and topography effects. Such assessment is difficult due to the lack of data documenting site effects for large normal faulting earthquakes such as the Pajarito Fault System that was found to be governing the seismic hazard at LANL. LANL site is also characterized by unique geologic settings, a series of mesa at the edge of the huge volcanic complex of the Jemez caldera. The latter has produced a series of successive and intertwined deposits of volcanic flow and sedimentary layer. Such layering of material with different elastic properties is expected to create large amplification effects magnified further by the presence at the surface of tuff materials. In 2014, a seismic campaign was performed in the Mortandad Canyon with a network of sensors on and near a local mesa. That campaign was designed to provide experimental data to estimation and prediction of amplification and site effects at LANL. An analysis on the seismic noise records of that campaign shows evidence of amplification of the seismic amplitude for the stations on the top of the mesa. Our goal is to reproduce the effect observed (both retrieving the resonance frequencies and amplification levels). We also plan to test if amplification effects observed for seismic noise can be extended to shaking produced by earthquakes. We are using a 3D modeling tool based on the Spectral Element Method (SEM) that is a particular type of high-order finite element modeling. Two types of seismic sources will be considered: (1) earthquakes for purpose of seismic hazard evaluation, (2) ambient noise. We show 2 series of numerical computations: (1) seismic waves are generated by random sources to simulate ambient noise. (2) seismic waves are planar waves to simulate a distant earthquake. We plan in the future to model rupture scenario on the Pajarito Fault System.

58 GEOSCIENCES↗

Turbulence Modeling with Nek5000/RS, SOD2D and Alya

We present Validation and Verification (V & V) study of two high-order spectral element method (SEM) based Computational Fluid Dyanimcs (CFD) codes that we will utilize for work on turbulence modeling: Nek5000 and SOD2D. While the former solves the incompressible form of Navier-Stokes equation, the latter works with compressible set of equations and uses an entropy-viscosity formulation to account for the discontinuities for high Mach number flows. We demonstrate the accuracy of these codes for two benchmark sub-sonic turbulent flows: periodic channel and pipe flow, by carrying out first and second order statistical analysis, grid convergence and turbulent structure analysis using wall-resolved large eddy simulations (WRLES). Later, we report on the implementation and testing of various wall-modeling strategies for large eddy simulation of turbulent flows in Nek5000. These include both classical log-law based and decision-tree based machine-learning models. Accuracy of these closure strategies are analyzed and necessary future work is outlined.

97 MATHEMATICS AND COMPUTING↗

NeuroSEM: A hybrid framework for simulating multiphysics problems by coupling PINNs and spectral elements

Multiphysics problems that are characterized by complex interactions among fluid dynamics, heat transfer, structural mechanics, and electromagnetics, are inherently challenging due to their coupled nature. While experimental data on certain state variables may be available, integrating these data with numerical solvers remains a significant challenge. Physics-informed neural networks (PINNs) have shown promising results in various engineering disciplines, particularly in handling noisy data and solving inverse problems in partial differential equations (PDEs). However, their effectiveness in forecasting nonlinear phenomena in multiphysics regimes, particularly involving turbulence, is yet to be fully established. Here, this study introduces NeuroSEM, a hybrid framework integrating PINNs with the highfidelity Spectral Element Method (SEM) solver, Nektar++. NeuroSEM leverages the strengths of both PINNs and SEM, providing robust solutions for multiphysics problems. PINNs are trained to assimilate data and model physical phenomena in specific subdomains, which are then integrated into the Nektar++ solver. We demonstrate the efficiency and accuracy of NeuroSEM for thermal convection in cavity flow and flow past a cylinder. The framework effectively handles data assimilation by addressing those subdomains and state variables where the data is available. We applied NeuroSEM to the Rayleigh-B´enard convection system, including cases with missing thermal boundary conditions and noisy datasets. Finally, we applied the proposed NeuroSEM framework to real particle image velocimetry (PIV) data to capture flow patterns characterized by horseshoe vortical structures. Our results indicate that NeuroSEM accurately models the physical phenomena and assimilates the data within the specified subdomains. The framework’s plug-and-play nature facilitates its extension to other multiphysics or multiscale problems. Furthermore, NeuroSEM is optimized for efficient execution on emerging integrated GPU-CPU architectures. This hybrid approach enhances the accuracy and efficiency of simulations, making it a powerful tool for tackling complex engineering challenges in various scientific domains.

42 ENGINEERING↗

Development of MOSCATO: A CFD-Level Electrochemistry and Corrosion Simulator for Molten Salt Systems

For both coolant and fueled variants of molten salt reactors (MSRs), the corrosion of structural materials is a significant challenge. The corrosion stems from chemical and electrochemical reactions initiated by fissile material, fission products, and impurities in the salt. Lower-fidelity models rely on empirical correlations for mass transfer, simplified lumped temperature profiles, and similar assumptions. They do not capture detailed spatial variations in complex geometries, creating the need for high-fidelity modeling to bridge this gap.As we approach the demonstration and possible deployment of MSRs in this decade, the development of a high-fidelity, high-performance simulator becomes imperative. To simulate the complex electrochemical environment and corrosion within molten salt systems, we have developed the Molten Salt Chemistry And TranspOrt (MOSCATO) code. This endeavor is comprised of three essential components. First, mass transfer equations are coupled with the Navier-Stokes equations in order to account for the transport of species in the salt. Second, the diffusion of alloy constituents, such as Cr, Fe, Ni, etc. is simulated within the structural metals. Third, the alloy and salt domains are coupled to account for the heterogeneous chemical and electrochemical reactions that occur at the salt-alloy interface.MOSCATO manages all three components within the framework of the highly scalable, open-source spectral element method computational fluid dynamics code Nek5000/NekRS. This integration enables MOSCATO to harness the immense computational power of modern high-performance computing resources, ensuring both high fidelity and computational speed.In addition to code development, we have initiated a comprehensive verification and validation campaign, utilizing data from diverse sources. First, MOSCATO's electrochemical solver was verified with reference numerical data. Then validation occurred against experiments: one of a thermal galvanic cell and the other for corrosion in flowing molten salt of FLiNaK (LiF-NaF-KF). This campaign verified and validated MOSCATO as a reliable tool for simulating electrochemical environments and corrosion in molten salt systems.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Simulations of Seismic Wave Propagation on Mars

In this paper, we present global and regional synthetic seismograms computed for 1D and 3D Mars models based on the spectral-element method. For global simulations, we implemented a radially-symmetric Mars model with a 110 km thick crust. For this 1D model, we successfully benchmarked the 3D seismic wave propagation solver SPECFEM3D_GLOBE against the 2D axisymmetric wave propagation solver AxiSEM at periods down to 10 s. We also present higher-resolution body-wave simulations with AxiSEM down to 1 s in a model with a more complex 1D crust, revealing wave propagation effects that would have been difficult to interpret based on ray theory. For 3D global simulations based on SPECFEM3D_GLOBE, we superimposed 3D crustal thickness variations capturing the distinct crustal dichotomy between Mars’ northern and southern hemispheres, as well as topography, ellipticity, gravity, and rotation. The global simulations clearly indicate that the 3D crust speeds up body waves compared to the reference 1D model, whereas it significantly changes surface waveforms and their dispersive character depending on its thickness. We also perform regional simulations with the solver SES3D based on 3D crustal models derived from surface composition, thereby addressing the effects of various distinct crustal features down to 2 s. The regional simulations confirm the strong effects of crustal variations on waveforms. Finally, we conclude that the numerical tools are ready for examining more scenarios, including various other seismic models and sources.

58 GEOSCIENCES↗

Inverse Subspace Iteration for Spectral Stochastic Finite Element Methods

We study random eigenvalue problems in the context of spectral stochastic finite elements. In particular, given a parameter-dependent, symmetric positive-definite matrix operator, we explore the performance of algorithms for computing its eigenvalues and eigenvectors represented using polynomial chaos expansions. We formulate a version of stochastic inverse subspace iteration, which is based on the stochastic Galerkin finite element method, and we compare its accuracy with that of Monte Carlo and stochastic collocation methods. The coefficients of the eigenvalue expansions are computed from a stochastic Rayleigh quotient. Our approach allows the computation of interior eigenvalues by deflation methods, and we can also compute the coefficients of multiple eigenvectors using a stochastic variant of the modified Gram-Schmidt process. The effectiveness of the methods is illustrated by numerical experiments on benchmark problems arising from vibration analysis.

97 MATHEMATICS AND COMPUTING↗

Spectral simulations of reacting turbulent flows

Spectral methods for simulating flows are reviewed, emphasizing their recent applications to reacting flow problems. Various classifications of spectral methods and their convergence properties are described and the 'spectral element' method is presented, highlighting its flexibility in dealing with complex flow geometries. The applications considered include chemical reactions in homogeneous turbulence, temporally evolving mixing layers, variable-density simulations, nonequilibrium chemistry, and spatially evolving mixing layers.

Mcmurtry, Patrick A.↗

Adaptive mesh refinement for steady flows in Nek5000

Adaptive mesh refinement is performed in the framework of the spectral element method augmented by approaches to error estimation and control. The h-refinement technique is used for adapting the mesh, where selected grid elements are split by a quadtree (2D) or octree (3D) structure. Continuity between parent-child elements is enforced by high-order interpolation of the solution across the common faces. Parallel mesh partitioning and grid management respectively, are taken care of by the external libraries ParMETIS and p4est. Two methods are considered for estimating and controlling the error of the solution. The first error estimate is local and based on the spectral properties of the solution on each element. This method gives a local measure of the L-2-norm of the solution over the entire computational domain. The second error estimate uses the dual-weighted residuals method - it is based on and takes into account both the local properties of the solution and the global dependence of the error in the solution via an adjoint problem. The objective of this second approach is to optimize the computation of a given functional of physical interest. The simulations are performed by using the code Nek5000 and three steady-state test cases are studied: a two-dimensional lid-driven cavity at Re = 7, 500, a two-dimensional flow past a cylinder at Re = 40, and a three-dimensional lid-driven cavity at Re = 2,000 with a moving lid tilted by an angle of 30 degrees. Finally, the efficiency of both error estimators is compared in terms of refinement patterns and accuracy on the functional of interest. In the case of the adjoint error estimators, the trend on the error of the functional is shown to be correctly represented up to a multiplicative constant.

42 ENGINEERING↗

Triangular spectral elements for incompressible fluid flow

We discuss the use of triangular elements in the spectral element method for direct simulation of incompressible flow. Triangles provide much greater geometric flexibility than quadrilateral elements and are better conditioned and more accurate when small angles arise. We employ a family of tensor product algorithms for triangles, allowing triangular elements to be handled with comparable arithmetic complexity to quadrilateral elements. The triangular discretizations are applied and validated on the Poisson equation. These discretizations are then applied to the incompressible Navier-Stokes equations and a laminar channel flow solution is given. These new triangular spectral elements can be combined with standard quadrilateral elements, yielding a general and flexible high order method for complex geometries in two dimensions.

Mavriplis, C.↗

Triangular spectral elements for incompressible fluid flow

We discuss the use of triangular elements in the spectral element method for direct simulation of incompressible flow. Triangles provide much greater geometric flexibility and are better conditioned and more accurate than quadrilateral elements when small angles arise. We employ a family of tensor product algorithms for triangles, allowing triangular elements to be handled with comparable arithmetic complexity to quadrilateral elements. The triangular discretizations are applied to the Poisson equation and are validated. The triangular discretizations are then applied to the incompressible Navier-Stokes equations, and a laminar channel flow solution is given. The new triangular spectral elements can be combined with standard quadrilateral elements, yielding a general and flexible high order method for complex geometries in two dimensions.

Mavriplis, Catherine↗

A Verification Suite of Test Cases for the Barotropic Solver of Ocean Models

Abstract The development of any atmosphere or ocean model warrants a suite of test cases (TCs) to verify its spatial and temporal discretizations, order of accuracy, stability, reproducibility, portability, scalability, etc. In this paper, we present a suite of shallow water TCs designed to verify the barotropic solver of atmosphere and ocean models. These include the non‐dispersive coastal Kelvin wave; the dispersive inertia‐gravity wave; the dispersive planetary and topographic Rossby waves; the barotropic tide; and a non‐linear manufactured solution. These TCs check the implementation of the linear pressure gradient term; the linear constant or variable‐coefficient Coriolis and bathymetry terms; and the non‐linear advection terms. Simulation results are presented for a variety of time‐stepping methods as well as two spatial discretizations: a mimetic finite volume method based on the TRiSK scheme, and a high‐order discontinuous Galerkin spectral element method. The experimental procedure for conducting these numerical experiments is detailed. It underscores several key considerations that vary depending on the chosen spatial discretization method. Finally, convergence studies of every TC are conducted with refinement in both space and time, only in space, and only in time. The convergence slopes match the expected theoretical predictions.

54 ENVIRONMENTAL SCIENCES↗

Electromagnetic wave propagation based upon spectral-element methodology in dispersive and attenuating media

SUMMARY We build on mathematical equivalences between Maxwell’s wave equations for an electromagnetic medium and elastic seismic wave equations. This allows us to readily model Maxwell’s wave propagation in the spectral-element codes SPECFEM2D and SPECFEM3D, written for acoustic, viscoelastic and poroelastic seismic wave propagation, providing the ability to handle complex geometries, inherent to finite-element methods and retaining the strength of exponential convergence and accuracy due to the use of high-degree polynomials to interpolate field functions on the elements, characteristic to spectral-element methods (SEMs). Attenuation and dispersion processes related to the frequency dependence of dielectric permittivity and conductivity are also included using a Zener model, similar to shear attenuation in viscoelastic media or viscous diffusion in poroelastic media, and a Kelvin–Voigt model, respectively. Ability to account for anisotropic media is also discussed. Here, we limit ourselves to certain dielectric permittivity tensor geometries, in order to conserve a diagonal mass matrix after discretization of the system of equations. Doing so, simulation of Maxwell’s wave equations in the radar frequency range based on SEM can be solved using explicit time integration schemes well suited for parallel computation. We validate our formulation with analytical solutions. In 2-D, our implementation allows for the modelling of both a transverse magnetic (TM) mode, suitable for surface based reflection ground penetration radar type of applications, and a transverse electric (TE) mode more suitable for crosshole and vertical radar profiling setups. Two 2-D examples are designed to demonstrated the use of the TM and TE modes. A 3-D example is also presented, which allows for the full TEM solution, different antenna orientations, and out-of-plane variations in material properties.

58 GEOSCIENCES↗

Aircraft Engine Noise Scattering by Fuselage and Wings: A Computational Approach

The paper presents a time-domain method for computation of sound radiation from aircraft engine sources to the far-field. The effects of nonuniform flow around the aircraft and scattering of sound by fuselage and wings are accounted for in the formulation. The approach is based on the discretization of the inviscid flow equations through a collocation form of the Discontinuous Galerkin spectral element method. An isoparametric representation of the underlying geometry is used in order to take full advantage of the spectral accuracy of the method. Large-scale computations are made possible by a parallel implementation based on message passing. Results obtained for radiation from an axisymmetric nacelle alone are compared with those obtained when the same nacelle is installed in a generic configuration, with and without a wing.

Stanescu, D.↗

Aircraft Engine Noise Scattering by Fuselage and Wings: A Computational Approach

The paper presents a time-domain method for computation of sound radiation from aircraft engine sources to the far field. The effects of non-uniform flow around the aircraft and scattering of sound by fuselage and wings are accounted for in the formulation. The approach is based on the discretization of the inviscid flow equations through a collocation form of the discontinuous Galerkin spectral element method. An isoparametric representation of the underlying geometry is used in order to take full advantage of the spectral accuracy of the method. Large-scale computations are made possible by a parallel implementation based on message passing. Results obtained for radiation from an axisymmetric nacelle alone are compared with those obtained when the same nacelle is installed in a generic configuration, with and without a wing. 0 2002 Elsevier Science Ltd. All rights reserved.

Farassat, F.↗

Design of Unstructured Adaptive (UA) NAS Parallel Benchmark Featuring Irregular, Dynamic Memory Accesses

We describe the design of a new method for the measurement of the performance of modern computer systems when solving scientific problems featuring irregular, dynamic memory accesses. The method involves the solution of a stylized heat transfer problem on an unstructured, adaptive grid. A Spectral Element Method (SEM) with an adaptive, nonconforming mesh is selected to discretize the transport equation. The relatively high order of the SEM lowers the fraction of wall clock time spent on inter-processor communication, which eases the load balancing task and allows us to concentrate on the memory accesses. The benchmark is designed to be three-dimensional. Parallelization and load balance issues of a reference implementation will be described in detail in future reports.

Feng, Hui-Yu↗