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DOE OSTI2025

A High-Order Discontinuous Galerkin Spectral Element Method for Compressible Reacting Flows

High-order methods have recently been shown to be an effective tool for high-fidelity flow computations like direct numerical simulations and large eddy simulations due to their strong balance between accuracy and computational cost. In this work, a high-order discontinuous Galerkin spectral element method (DGSEM) is developed to solve the chemically reactive Euler equations encountered in high-speed combustion. To handle the disparate length and time scales associated with these equations, we develop a novel method which combines the spectral accuracy of the SEM with the flexibility of DG approach. Thus, the framework is well suited to capture turbulence in smooth regions of the flow, while maintaining numerical stability in the presence of shocks. The numerical method is implemented within the spectral element solver Nek5000. Validation cases are conducted for both non-reactive and reactive discontinuous flows to demonstrate the solver capability. In particular, canonical one-dimensional and two-dimensional detonation simulations are performed and the high-order numerical results are validated against available literature data.

computational fluid dynamics (CFD)↗

DOE OSTI2026

PDE-constrained high-order mesh optimization

Here, we present a novel framework for PDE-constrained r-adaptivity of high-order meshes. The proposed method formulates mesh movement as an optimization problem, with an objective function defined as a convex combination of a mesh quality metric and a measure of the accuracy of the PDE solution obtained via finite element discretization. The proposed formulation achieves optimized, well-defined high-order meshes by integrating mesh quality control, PDE solution accuracy, and robust gradient regularization. We adopt the Target-Matrix Optimization Paradigm to control geometric properties across the mesh, independent of the PDE of interest. To incorporate the accuracy of the PDE solution, we introduce error measures that control the finite element discretization error. The implicit dependence of these error measures on the mesh nodal positions is accurately captured by adjoint sensitivity analysis. Additionally, a convolution-based gradient regularization strategy is used to ensure stable and effective adaptation of high-order meshes. We demonstrate that the proposed framework can improve mesh quality and reduce the error by up to 10 times for the solution of Poisson and linear elasto-static problems. The approach is general with respect to the dimensionality, the order of the mesh, the types of mesh elements, and can be applied to any PDE that admits well-defined adjoint operators.

Computer science↗

NASA NTRS1998

A Stable and Conservative Interface Treatment of Arbitrary Spatial Accuracy

Stable and accurate interface conditions are derived for the linear advection-diffusion equation. The conditions are functionally independent of the spatial order of accuracy and rely only on the form of the discrete operator. We focus on high-order finite-difference operators that satisfy the summation-by-parts (SBP) property. We prove that stability is a natural consequence of the SBP operators used in conjunction with the new boundary conditions. In addition, we show that the interface treatments are conservative. New finite-difference operators of spatial accuracy up to sixth order are constructed: these operators satisfy the SBP property. Finite-difference operators are shown to admit design accuracy (p(sup th)-order global accuracy) when (p - 1)(sup th)-order stencil closures are used near the boundaries if the physical boundary conditions are implemented to at least p(sup th)-order accuracy. Stability and accuracy are demonstrated on the nonlinear Burgers' equation for an twelve-subdomain problem with randomly distributed interfaces.

Carpenter, Mark H.↗

NASA NTRSDate not supplied

New Capabilities and Improvements to the High-Order Glenn Flux Reconstruction Code

The Glenn Flux Reconstruction (GFR) code is a computational fluid dynamics (CFD) code under development at NASA Glenn Research Center. GFR is based on the high-order flux reconstruction (FR) method and provides a large-eddy simulation (LES) capability that is both accurate and efficient for complex aeropropulsion flows. Three significant new capabilities have been added to the code that improve its performance and functionality. First, a variety of explicit Runge-Kutta methods, including some with adaptive time stepping, were added to GFR with two methods offering a 33% improvement in time-to-solution. Second, GFR can now utilize fully unstructured, mixed-element meshes to more easily facilitate the grid generation process for complex geometries. Finally, a rotating reference frame capability has been added to GFR for solving rotating turbomachinery problems. A selection of results demonstrating these new capabilities are presented in this work. The Taylor-Green vortex problem is used to verify the new unstructured capability by showing similar accuracy and resolution for all element types. LES of the Turbulent Heat Flux Phase III (THX3) experiment with comparison to another high-order LES code and a popular Reynolds-averaged Navier-Stokes (RANS) code demonstrates the accuracy of the code for complex aeropropulsion flows. Finally, LES of a spacecraft cabin ventilation fan shows the ability of GFR to efficiently establish a fan performance map and identify operating points for further analysis at high orders of accuracy.

High-Order Methods↗

NASA NTRSDate not supplied

New Capabilities and Improvements to the High-Order Glenn Flux Reconstruction Code

Direct Numerical Simulations↗

NASA NTRS2012

Parametric Study of Decay of Homogeneous Isotropic Turbulence Using Large Eddy Simulation

Numerical simulations of decaying homogeneous isotropic turbulence are performed with both low-order and high-order spatial discretization schemes. The turbulent Mach and Reynolds numbers for the simulations are 0.2 and 250, respectively. For the low-order schemes we use either second-order central or third-order upwind biased differencing. For higher order approximations we apply weighted essentially non-oscillatory (WENO) schemes, both with linear and nonlinear weights. There are two objectives in this preliminary effort to investigate possible schemes for large eddy simulation (LES). One is to explore the capability of a widely used low-order computational fluid dynamics (CFD) code to perform LES computations. The other is to determine the effect of higher order accuracy (fifth, seventh, and ninth order) achieved with high-order upwind biased WENO-based schemes. Turbulence statistics, such as kinetic energy, dissipation, and skewness, along with the energy spectra from simulations of the decaying turbulence problem are used to assess and compare the various numerical schemes. In addition, results from the best performing schemes are compared with those from a spectral scheme. The effects of grid density, ranging from 32 cubed to 192 cubed, on the computations are also examined. The fifth-order WENO-based scheme is found to be too dissipative, especially on the coarser grids. However, with the seventh-order and ninth-order WENO-based schemes we observe a significant improvement in accuracy relative to the lower order LES schemes, as revealed by the computed peak in the energy dissipation and by the energy spectrum.

Swanson, R. C.↗

DOE OSTI2024

Arbitrary Order Virtual Element Methods for High‐Order Phase‐Field Modeling of Dynamic Fracture

ABSTRACT Accurate modeling of fracture nucleation and propagation in brittle and ductile materials subjected to dynamic loading is important in predicting material damage and failure under extreme conditions. Phase‐field fracture models have garnered a lot of attention in recent years due to their success in representing damage and fracture processes in a wide class of materials and under a variety of loading conditions. Second‐order phase‐field fracture models are by far the most popular among researchers (and increasingly, among practitioners), but fourth‐order models have started to gain broader acceptance since their more recent introduction. The exact solution corresponding to these high‐order phase‐field fracture models has higher regularity. Thus, numerical solutions of the model equations can achieve improved accuracy and higher spatial convergence rates. In this work, we develop a virtual element framework for the high‐order phase‐field model of dynamic fracture. The virtual element method (VEM) can be regarded as a generalization of the classical finite element method. In addition to many other desirable characteristics, the VEM allows computing on polytopal meshes. Here, we use ‐conforming virtual elements and the generalized‐ time integration method for the momentum balance equation, and adopt ‐conforming virtual elements for the high‐order phase‐field equation. We verify our virtual element framework using classical quasi‐static benchmark problems and demonstrate its capabilities with the aid of numerical simulations of dynamic fracture in brittle materials.

42 ENGINEERING↗

NASA NTRS1974

The effect of centrifugal distortion on CO2-laser frequencies

Values of the coefficient H for the appropriate carbon-dioxide laser levels are estimated on the basis of theoretical considerations. The values are compared with data obtained by Petersen et al. (1973). It is found that very small perturbations become important as the accuracy of the CO2-laser frequencies increases, especially for lines far away from the band center. Careful experimental frequency measurements are mandatory in the high J region if an accuracy of the order of 10 kHz is desired.

Menzies, R. T.↗

NASA NTRS1994

Numerical Simulation of the Instability of an Inviscid Liquid Jet in a Coflowing Compressible Airstream

The nonlinear interfacial instability of a liquid jet in a coflowing compressible airstream is studied numerically. A high-resolution scheme which has second-order accuracy in space and time is coupled with a Lagrangian marker particle algorithm to visualize the large-scale motion of the interfaces in compressible flow. A numerical algorithm based on an approximate equation of state of a compressible liquid is developed to allow this two-fluid system to be governed by the nonlinear unsteady Euler equations in conservative form. The initial growth of small disturbances given by the simulations agrees well with linear theory. The process of jet disruption in compressible flow is demonstrated to consist of the formation of liquid spikes, interweaving of the gas and liquid and stretching and detachment of the liquid main center core.

Li, H. -S.↗

NASA NTRS2004

Discontinuous Spectral Difference Method for Conservation Laws on Unstructured Grids

A new, high-order, conservative, and efficient method for conservation laws on unstructured grids is developed. The concept of discontinuous and high-order local representations to achieve conservation and high accuracy is utilized in a manner similar to the Discontinuous Galerkin (DG) and the Spectral Volume (SV) methods, but while these methods are based on the integrated forms of the equations, the new method is based on the differential form to attain a simpler formulation and higher efficiency. A discussion on the Discontinuous Spectral Difference (SD) Method, locations of the unknowns and flux points and numerical results are also presented.

Liu, Yen↗

NASA NTRS2011

Assessment of Some Atomization Models Used in Spray Calculations

The paper presents the results from a validation study undertaken as a part of the NASA s fundamental aeronautics initiative on high altitude emissions in order to assess the accuracy of several atomization models used in both non-superheat and superheat spray calculations. As a part of this investigation we have undertaken the validation based on four different cases to investigate the spray characteristics of (1) a flashing jet generated by the sudden release of pressurized R134A from cylindrical nozzle, (2) a liquid jet atomizing in a subsonic cross flow, (3) a Parker-Hannifin pressure swirl atomizer, and (4) a single-element Lean Direct Injector (LDI) combustor experiment. These cases were chosen because of their importance in some aerospace applications. The validation is based on some 3D and axisymmetric calculations involving both reacting and non-reacting sprays. In general, the predicted results provide reasonable agreement for both mean droplet sizes (D32) and average droplet velocities but mostly underestimate the droplets sizes in the inner radial region of a cylindrical jet.

Raju, M. S.↗

NASA NTRS2016

Diagonally Implicit Runge-Kutta Methods for Ordinary Differential Equations. A Review

A review of diagonally implicit Runge-Kutta (DIRK) methods applied to rst-order ordinary di erential equations (ODEs) is undertaken. The goal of this review is to summarize the characteristics, assess the potential, and then design several nearly optimal, general purpose, DIRK-type methods. Over 20 important aspects of DIRKtype methods are reviewed. A design study is then conducted on DIRK-type methods having from two to seven implicit stages. From this, 15 schemes are selected for general purpose application. Testing of the 15 chosen methods is done on three singular perturbation problems. Based on the review of method characteristics, these methods focus on having a stage order of two, sti accuracy, L-stability, high quality embedded and dense-output methods, small magnitudes of the algebraic stability matrix eigenvalues, small values of aii, and small or vanishing values of the internal stability function for large eigenvalues of the Jacobian. Among the 15 new methods, ESDIRK4(3)6L[2]SA is recommended as a good default method for solving sti problems at moderate error tolerances.

Kennedy, Christopher A.↗

NASA NTRSDate not supplied

Why Developing A Full-Sun UV Spectrograph Sounding Rocket Is Difficult but Necessary

For a conference focused on a 20-year perspective of where we have been and where we are going, this talk will highlight specifically why we need a sounding rocket to lead the way in obtaining high-resolution UV spectroscopy of our sun-as-a-star. The currently available data is either sparse or at a much lower resolution when compared with Hubble (HST) spectra of other stars. Because of this, we cannot say with certainty if our Sun’s variability is typical. This limitation is hindering our quest to place our Sun in it’s rightful place on our star-charts. Ultraviolet light is a key component in determining this. Elements such as Hydrogen and Iron have strong emission lines here, and from them we can determine many things about the star from which they originate. The width of these spectral features can tell us about the relative plasma activity on the surface of the star, the abundance of those elements, and of course the temperatures. This has of course been done with many instruments that have very narrow field of views and/or narrow bandwidths. The only way to directly compare our Sun’s UV ”fingerprint” with other stars is to take an image of it in the same manner by which HST does: as a point source object. Our team’s aim has been to develop a sounding rocket capable of doing just that. Along the way, the many challenges we face are producing many solutions. A unique take on the traditional Rowland circle spectrograph will allow us to cover a large range of UV spectra with minimal moving parts. A novel in-situ gain calibration technique will be used in order to maintain the high level of radiometric accuracy desired. Naturally, complications arise when one takes UV measurements as you are flying out of earth’s atmosphere and back into it. Though it may be minor, the absorbed UV spectra from the atmosphere will have to be accounted for. In preparing for this, we have stumbled across a way in which those ”telluric” absorption lines may prove useful for spectral calibration purposes. In addition, raw data from previous sounding rocket missions may have hidden within them useful information for the atmospheric-physics community. In this talk, we will highlight the unique calibration problems and solutions we have faced, and how those are of greater importance to the greater heliophysics and atmospheric communities. With these amazing developments at hand, the future of heliophysics instrumentation is looking bright. This material is based upon work supported by the NSF EPSCoR RII-Track-1.2a (Non-invasive plasma diagnostics for LTP) Cooperative Agreement OIA-1655280. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the authors and do not necessarily reflect the views of the National Science Foundation.

NASA, UAH, MSU, Sounding Rocket, Aeronomy, Instrum↗

NASA NTRS1999

Numerical Solution of Incompressible Navier-Stokes Equations Using a Fractional-Step Approach

A fractional step method for the solution of steady and unsteady incompressible Navier-Stokes equations is outlined. The method is based on a finite volume formulation and uses the pressure in the cell center and the mass fluxes across the faces of each cell as dependent variables. Implicit treatment of convective and viscous terms in the momentum equations enables the numerical stability restrictions to be relaxed. The linearization error in the implicit solution of momentum equations is reduced by using three subiterations in order to achieve second order temporal accuracy for time-accurate calculations. In spatial discretizations of the momentum equations, a high-order (3rd and 5th) flux-difference splitting for the convective terms and a second-order central difference for the viscous terms are used. The resulting algebraic equations are solved with a line-relaxation scheme which allows the use of large time step. A four color ZEBRA scheme is employed after the line-relaxation procedure in the solution of the Poisson equation for pressure. This procedure is applied to a Couette flow problem using a distorted computational grid to show that the method minimizes grid effects. Additional benchmark cases include the unsteady laminar flow over a circular cylinder for Reynolds Numbers of 200, and a 3-D, steady, turbulent wingtip vortex wake propagation study. The solution algorithm does a very good job in resolving the vortex core when 5th-order upwind differencing and a modified production term in the Baldwin-Barth one-equation turbulence model are used with adequate grid resolution.

Kiris, Cetin↗

NASA NTRS1995

Edge technique lidar for high accuracy, high spatial resolution wind measurement in the Planetary Boundary Layer

The goal of the Army Research Office (ARO) Geosciences Program is to measure the three dimensional wind field in the planetary boundary layer (PBL) over a measurement volume with a 50 meter spatial resolution and with measurement accuracies of the order of 20 cm/sec. The objective of this work is to develop and evaluate a high vertical resolution lidar experiment using the edge technique for high accuracy measurement of the atmospheric wind field to meet the ARO requirements. This experiment allows the powerful capabilities of the edge technique to be quantitatively evaluated. In the edge technique, a laser is located on the steep slope of a high resolution spectral filter. This produces large changes in measured signal for small Doppler shifts. A differential frequency technique renders the Doppler shift measurement insensitive to both laser and filter frequency jitter and drift. The measurement is also relatively insensitive to the laser spectral width for widths less than the width of the edge filter. Thus, the goal is to develop a system which will yield a substantial improvement in the state of the art of wind profile measurement in terms of both vertical resolution and accuracy and which will provide a unique capability for atmospheric wind studies.

Korb, C. L.↗

DOE OSTI2026

A stiff order condition theory for Runge–Kutta methods applied to semilinear ODEs

Classical convergence theory of Runge–Kutta methods assumes that the time step is small relative to the Lipschitz constant of the ordinary differential equation (ODE). For stiff problems, that assumption is often violated, and a problematic degradation in accuracy, known as order reduction, can arise. Methods with high stage order, e.g., Gauss–Legendre and Radau, are known to avoid order reduction, but they must be fully implicit. For the broad class of semilinear ODEs, which consist of a stiff linear term and non-stiff nonlinear term, we show that weaker conditions suffice. Here, our new semilinear order conditions are formulated in terms of orthogonality relations and can be enumerated by rooted trees. Finally, we prove global error bounds that hold uniformly with respect to stiffness of the linear term.

Mathematics and Computing↗

DOE OSTI2025

Neural chaos: A spectral stochastic neural operator

Building surrogate models for operators with uncertainty quantification capabilities is essential for many engineering applications where randomness–such as variability in material properties, boundary conditions, and initial conditions–is unavoidable. Polynomial Chaos Expansion (PCE) is widely recognized as a go-to method for constructing stochastic surrogates in both intrusive and non-intrusive ways, and it has recently been used in the context of operator learning. However, its application becomes challenging for complex or high-dimensional processes, as achieving accuracy requires higher-order polynomials, which can increase computational demand and/or the risk of overfitting. Furthermore, PCE requires specialized treatments to manage random variables that are not independent, and these treatments may be problem-dependent or may fail with increasing complexity. Here, in this work, we adopt the same formalism as the spectral expansion used in PCE; however, we replace the classical polynomial basis functions with neural network (NN) basis functions to leverage their expressivity. To achieve this, we propose an algorithm that identifies NN-parameterized basis functions in a purely data-driven manner, without any prior assumptions about the joint distribution of the random variables involved, whether independent or dependent, or about their marginal distributions. The proposed algorithm identifies each NN-parameterized basis function sequentially, ensuring they are orthogonal with respect to the data distribution. The basis functions are constructed directly on the joint stochastic variables without requiring a tensor product structure or assuming independence of the random variables. This approach may offer greater flexibility for complex stochastic models, while simplifying implementation compared to the tensor product structures typically used in PCE to handle random vectors. This is particularly advantageous given the current state of open-source packages, where building and training neural networks can be done with just a few lines of code and extensive community support. We demonstrate the effectiveness of the proposed scheme through several numerical examples of varying complexity and provide comparisons with classical PCE.

Polynomial chaos expansion↗

NASA NTRS1982

Gust response of commercial jet aircraft including effects of autopilot operation

A simplified theory of aircraft vertical acceleration gust response based on a model including pitch, vertical displacement and control motions due to autopilot operation is presented. High-order autopilot transfer functions are utilized for improved accuracy in the determination of the overall response characteristics. Four representative commercial jet aircraft were studied over a wide range of operating conditions and comparisons of individual responses are given. It is shown that autopilot operation relative to the controls fixed case causes response attenuation of from 10 percent to approximately 25 percent depending on flight condition and increases in crossing number up to 30 percent, with variations between aircraft of from 5 percent to 10 percent, in general, reflecting the differences in autopilot design. A detailed computer program description and listing of the calculation procedure suitable for the general application of the theory to any airplane autopilot combination is also included.

Goldberg, J. H.↗