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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
NASA NTRS2011

Assessment of CFD-based Response Surface Model for Ares I Supersonic Ascent Aerodynamics

The Ascent Force and Moment Aerodynamic (AFMA) Databases (DBs) for the Ares I Crew Launch Vehicle (CLV) were typically based on wind tunnel (WT) data, with increments provided by computational fluid dynamics (CFD) simulations for aspects of the vehicle that could not be tested in the WT tests. During the Design Analysis Cycle 3 analysis for the outer mold line (OML) geometry designated A106, a major tunnel mishap delayed the WT test for supersonic Mach numbers (M) greater than 1.6 in the Unitary Plan Wind Tunnel at NASA Langley Research Center, and the test delay pushed the final delivery of the A106 AFMA DB back by several months. The aero team developed an interim database based entirely on the already completed CFD simulations to mitigate the impact of the delay. This CFD-based database used a response surface methodology based on radial basis functions to predict the aerodynamic coefficients for M > 1.6 based on only the CFD data from both WT and flight Reynolds number conditions. The aero team used extensive knowledge of the previous AFMA DB for the A103 OML to guide the development of the CFD-based A106 AFMA DB. This report details the development of the CFD-based A106 Supersonic AFMA DB, constructs a prediction of the database uncertainty using data available at the time of development, and assesses the overall quality of the CFD-based DB both qualitatively and quantitatively. This assessment confirms that a reasonable aerodynamic database can be constructed for launch vehicles at supersonic conditions using only CFD data if sufficient knowledge of the physics and expected behavior is available. This report also demonstrates the applicability of non-parametric response surface modeling using radial basis functions for development of aerodynamic databases that exhibit both linear and non-linear behavior throughout a large data space.

Hanke, Jeremy L.↗
NASA NTRS2020

INVESTIGATING THE FEASIBILITY AND STABILITY FOR MODELING ACOUSTIC WAVE SCATTERING USING A TIME-DOMAIN BOUNDARY INTEGRAL EQUATION WITH IMPEDANCE BOUNDARY CONDITION

Reducing aircraft noise is a major objective in the field of computational aeroacoustics. When designing next generation quiet and environmentally friendly aircraft, it is important to be able to accurately and efficiently predict the acoustic scattering by an aircraft body from a given noise source. Acoustic liners are an effective tool for aircraft noise reduction and are characterized by a frequency-dependent impedance. Converted into the time-domain using Fourier transforms, an impedance boundary condition can be used to simulate the acoustic wave scattering by geometric bodies treated with acoustic liners. This work considers using either an impedance or an admittance (inverse of impedance) boundary condition to allow for acoustic scattering problems to be modeled with geometries consisting of both un-lined and lined surfaces. Three acoustic liner models are discussed: the Extended Helmholtz Resonator Model, the Three-Parameter Impedance Model, and the Broadband Impedance Model. In both the Helmholtz and Three-Parameter models, liner impedance is specified at a given frequency, whereas the Broadband model allows for the investigation of multiple frequencies simultaneously. The impedance and admittance boundary conditions for acoustic liners are derived for each model and coupled with a time-domain boundary integral equation. The scattering solution is obtained iteratively using a boundary element method with constant spatial and third-order temporal basis functions. Time-domain boundary integral equations are unfortunately prone to numerical instabilities due to resonant frequencies resulting from non-trivial solutions in the interior domain. When reformulated with the Burton-Miller method, the instabilities are eliminated. Using a Burton-Miller reformulation, the stability of the boundary element method assuming a liner boundary condition is assessed using eigenvalue analysis. The stability of each liner model is discussed, and it is shown that the Three-Parameter and Broadband models are sufficient for modeling an acoustic liner on the surface of scattering bodies. The Helmholtz model demonstrates strict limitations for stability, whereas the Three-Parameter and Broadband models are stable for most cases. Also included in this work is an assessment of the spatial accuracy of the time-domain boundary element method with respect to the surface element basis functions, as well as a performance study of the numerical algorithm.

computational mathematics↗
DOE OSTI2024

Sparse Cholesky factorization for solving nonlinear PDEs via Gaussian processes

In recent years, there has been widespread adoption of machine learning-based approaches to automate the solving of partial differential equations (PDEs). Among these approaches, Gaussian processes (GPs) and kernel methods have garnered considerable interest due to their flexibility, robust theoretical guarantees, and close ties to traditional methods. They can transform the solving of general nonlinear PDEs into solving quadratic optimization problems with nonlinear, PDE-induced constraints. However, the complexity bottleneck lies in computing with dense kernel matrices obtained from pointwise evaluations of the covariance kernel, and its partial derivatives, a result of the PDE constraint and for which fast algorithms are scarce. The primary goal of this paper is to provide a near-linear complexity algorithm for working with such kernel matrices. We present a sparse Cholesky factorization algorithm for these matrices based on the near-sparsity of the Cholesky factor under a novel ordering of pointwise and derivative measurements. The near-sparsity is rigorously justified by directly connecting the factor to GP regression and exponential decay of basis functions in numerical homogenization. We then employ the Vecchia approximation of GPs, which is optimal in the Kullback-Leibler divergence, to compute the approximate factor. This enables us to compute ϵ-approximate inverse Cholesky factors of the kernel matrices with complexity O(N log d (N/ϵ)) in space and O(N log 2d (N/ϵ)) in time. We integrate sparse Cholesky factorizations into optimization algorithms to obtain fast solvers of the nonlinear PDE. We numerically illustrate our algorithm’s near-linear space/time complexity for a broad class of nonlinear PDEs such as the nonlinear elliptic, Burgers, and Monge-Ampère equations. In summary, we provide a fast, scalable, and accurate method for solving general PDEs with GPs and kernel methods.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1995

Exponentially accurate approximations to piece-wise smooth periodic functions

A family of simple, periodic basis functions with 'built-in' discontinuities are introduced, and their properties are analyzed and discussed. Some of their potential usefulness is illustrated in conjunction with the Fourier series representations of functions with discontinuities. In particular, it is demonstrated how they can be used to construct a sequence of approximations which converges exponentially in the maximum norm to a piece-wise smooth function. The theory is illustrated with several examples and the results are discussed in the context of other sequences of functions which can be used to approximate discontinuous functions.

Greer, James↗
NASA NTRS1993

Analytical evaluation of a surface integral expressing the coupling between interior and exterior volumes in a FE-IE approach

Recently an approach which combines the finite element technique and an integral equation to determine the fields scattered by inhomogeneous bodies of complicated shape has been proposed. Basically, a mathematical surface which encloses the scatterers is introduced, thus dividing the space into an interior and an exterior volume, in which the finite element technique and an integral equation for EM scattering, respectively, are applied. The integral equation is set up for the tangential components of the fields at the surface, while the interior volume the unknowns are the total fields. Continuity of the tangential fields at the boundary, as required by Maxwell's equations, is imposed, thus coupling the two methods to obtain a consistent solution. The coupling term is expressed by a surface integral formed by the dot product of a FE basis function and an IE testing function, or viceversa. By choosing the boundary to be a surface of revolution and by making a convenient selection of IE basis (testing) functions, it is possible to evaluate the integrals analytically on surfaces such as curved triangles, curved quadrilaterals and curved pentagons. We will illustrate the salient steps involved in setting up and carrying out these integrals and discuss what class of basis (testing) functions and analytic surfaces of revolution they are applicable to. Analytic calculations offer the advantage of better accuracy than purely numerical ones, and, when combined with them, often shed light on issues of numerical convergence and limiting values. Furthermore, they may reduce computation time and storage requirements.

Zuffada, C.↗
NASA NTRS2003

Further Developments in the MLPG Method for Beam Problems

An accurate and yet simple Meshless Local Petrov-Galerkin (MLPG) formulation for analyzing beam problems is presented. In the formulation, simple weight functions are chosen as test functions as in the conventional MLPG method. Linear test functions are also chosen, leading to a variation of the MLPG method that is computationally efficient compared to the conventional implementation. The MLPG method is evaluated by applying the formulation to a variety of patch tests, thin beam problems, and problems with load discontinuities. The formulation successfully reproduces exact solutions to machine accuracy when higher order power and spline functions are chosen as test functions or when the linear test function is used, and when constructing the trial functions, the order of the basis function is properly balanced by the order of the weight function. For mixed boundary value problems, deflections, slopes, moments, and shear forces are calculated to the same accuracy by the MLPG method without the use of elaborate post-processing techniques. Problems with load discontinuities require special care - when a reasonable number of nodes are used, the method yields very accurate results.

Raju, I. S.↗
NASA NTRS2009

A Finite Element Theory for Predicting the Attenuation of Extended-Reacting Liners

A non-modal finite element theory for predicting the attenuation of an extended-reacting liner containing a porous facesheet and located in a no-flow duct is presented. The mathematical approach is to solve separate wave equations in the liner and duct airway and to couple these two solutions by invoking kinematic constraints at the facesheet that are consistent with a continuum theory of fluid motion. Given the liner intrinsic properties, a weak Galerkin finite element formulation with cubic polynomial basis functions is used as the basis for generating a discrete system of acoustic equations that are solved to obtain the coupled acoustic field. A state-of-the-art, asymmetric, parallel, sparse equation solver is implemented that allows tens of thousands of grid points to be analyzed. A grid refinement study is presented to show that the predicted attenuation converges. Excellent comparison of the numerically predicted attenuation to that of a mode theory (using a Haynes 25 metal foam liner) is used to validate the computational approach. Simulations are also presented for fifteen porous plate, extended-reacting liners. The construction of some of the porous plate liners suggest that they should behave as resonant liners while the construction of others suggest that they should behave as broadband attenuators. In each case the finite element theory is observed to predict the proper attenuation trend.

Watson, W. R.↗
NASA NTRS2011

Experiments in Reconstructing Twentieth-Century Sea Levels

One approach to reconstructing historical sea level from the relatively sparse tide-gauge network is to employ Empirical Orthogonal Functions (EOFs) as interpolatory spatial basis functions. The EOFs are determined from independent global data, generally sea-surface heights from either satellite altimetry or a numerical ocean model. The problem is revisited here for sea level since 1900. A new approach to handling the tide-gauge datum problem by direct solution offers possible advantages over the method of integrating sea-level differences, with the potential of eventually adjusting datums into the global terrestrial reference frame. The resulting time series of global mean sea levels appears fairly insensitive to the adopted set of EOFs. In contrast, charts of regional sea level anomalies and trends are very sensitive to the adopted set of EOFs, especially for the sparser network of gauges in the early 20th century. The reconstructions appear especially suspect before 1950 in the tropical Pacific. While this limits some applications of the sea-level reconstructions, the sensitivity does appear adequately captured by formal uncertainties. All our solutions show regional trends over the past five decades to be fairly uniform throughout the global ocean, in contrast to trends observed over the shorter altimeter era. Consistent with several previous estimates, the global sea-level rise since 1900 is 1.70 +/- 0.26 mm/yr. The global trend since 1995 exceeds 3 mm/yr which is consistent with altimeter measurements, but this large trend was possibly also reached between 1935 and 1950.

Ray, Richard D.↗
NASA NTRS1995

The Schwinger Variational Method

Variational methods have proven invaluable in theoretical physics and chemistry, both for bound state problems and for the study of collision phenomena. The application of the Schwinger variational (SV) method to e-molecule collisions and molecular photoionization has been reviewed previously. The present chapter discusses the implementation of the SV method as applied to e-molecule collisions. Since this is not a review of cross section data, cross sections are presented only to server as illustrative examples. In the SV method, the correct boundary condition is automatically incorporated through the use of Green's function. Thus SV calculations can employ basis functions with arbitrary boundary conditions. The iterative Schwinger method has been used extensively to study molecular photoionization. For e-molecule collisions, it is used at the static exchange level to study elastic scattering and coupled with the distorted wave approximation to study electronically inelastic scattering.

Huo, Winifred M.↗
NASA NTRS2003

Electron Collisional Excitation Rates for OI USING the B-Spline R-Matrix Approach

The B-spline R-matrix approach has been used to calculate electron collisional excitation strengths and rates for transitions between the 3P, 1D, and 1S states of ground configuration and from these states to the states of the excited 2s(sup 2)2p(sup 3)ns (n = 3-5), 2s(sup 2)2p(sup 3)np (n = 3-4), 2s(sup 2)2p(sup 3)nd (n = 3-4), 2s(sup 2)2p(sup 3)4f, and 2s2p(sup 5) configurations. The nonorthogonal orbitals are used for an accurate description of both the target wave functions and the R-matrix basis functions. The thermally averaged collision strengths are obtained from the collision strengths by integrating over a Maxwellian velocity distribution of electron energies, and these are tabulated over a temperature range from 1000 to 60,000 K. The parametric functions of scaled energy have also been obtained to represent collision strengths over a wide energy range or thermally averaged collision strengths at any desired temperature.

Zatsarinny, O.↗
NASA NTRS2006

New Accurate Oscillator Strengths and Electron Excitation Collision Strengths for N1

The nonorthogonal orbitals technique in a multiconfiguration Hartree-Fock approach is used to calculate oscillator strengths and transition probabilities of N(I) lines. The relativistic effects are allowed by means of Breit-Pauli operators. The length and velocity forms of oscillator strengths show good agreement for most transitions. The B-spline R-matrix with pseudostates approach has been used to calculate electron excitation collision strengths and rates. The nonorthogonal orbitals are used for an accurate description of both target wave functions and the R-matrix basis functions. The 24 spectroscopic bound and autoionizing states together with 15 pseudostates are included in the close-coupling expansion. The collision strengths for transitions between fine-structure levels are calculated by transforming the LS-coupled K-matrices to K-matrices in an intermediate coupling scheme. Thermally averaged collision strengths have been determined by integrating collision strength over a Maxwellian distribution of electron energies over a temperature range suitable for the modeling of astrophysical plasmas. The oscillator strengths and thermally averaged collision strengths are presented for transitions between the fine-structure levels of the 2s(sup 2)p(sup 3) (sup 4)S(sup 0), (sup 2)D(sup 0), (sup 2)P(sup 0), 2s2p(sup 4) (sup 4)P, 2s(sup 2)2p(sup 2)3s (sup 4)P, and (sup 2)P terms and from these levels to the levels of the 2s(sup 2)2p(sup 2)3p (sup 2)S(sup 0), (sup 4)D(sup 0), (sup 4)P(sup 0), (sup 4)S(sup 0), (sup 2)D(sup 0), (sup 2)P(sup 0),2s(sup 2)2p(sup 2)3s(sup 2)D, 2s(sup 2)2p(sup 2)4s(sup 4)P, (sup 2)P, 2s(sup 2)2p(sup 2)3d(sup 2)P, (sup 4)F,(sup 2)F,(sup 4)P, (sup 4)D, and (sup 2)D terms. Thermally averaged collision strengths are tabulated over a temperature range from 500 to 50,000 K.

Tayal, S. S.↗
NASA NTRS1994

Scattering from perfectly conducting and resistive strips on a grounded dielectric slab

The scattering properties of perfectly conducting and resistive strips are predicted for strips which are located on a dielectric slab backed by a perfectly conducting ground plane. The spectral domain Green's function is used to relate the currents and fields on the strip, and the resulting integral equation is solved using the method of moments. Both TE and TM strips are examined using piecewise linear and pulse subdomain basis functions, respectively, to model the current on the strip. Calculated results are compared with results measured at the NASA Langley Research Center.

PULSE SUBDOMAIN BASIS FUNCTION↗
DOE OSTI2025

Strong Correlation DMRG and DFT

This project developed new ways to improve computer simulations of materials where electrons interact strongly with each other, a challenge for today’s most widely used method, density functional theory (DFT). We used an exact numerical method, the density matrix renormalization group (DMRG), to create highly accurate reference results for simple model systems, and used these to test DFT, prove when it will converge, and even train machine-learned functionals. We also invented new kinds of localized basis functions (“gausslets” and “multi-sliced gausslets”) and a “sliced-basis” approach that make high-accuracy simulations faster and more practical. These methods were applied to extended hydrogen systems, enabling the direct derivation of accurate low-energy models from first-principles calculations. We also introduced a new formalism, Conditional-Probability DFT, which could bypass traditional approximations. The tools and results from this work, including open-source software releases, will help scientists design and understand complex quantum materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Neural Scaling Laws of Deep ReLU and Deep Operator Network: A Theoretical Study

Neural scaling laws play a pivotal role in the performance of deep neural networks and have been observed in a wide range of tasks. However, a complete theoretical framework for understanding these scaling laws remains underdeveloped. In this paper, we explore the neural scaling laws for deep operator networks, which involve learning mappings between function spaces, with a focus on the Chen and Chen style architecture. These approaches, which include the popular Deep Operator Network (DeepONet), approximate the output functions using a linear combination of learnable basis functions and coefficients that depend on the input functions. We establish a theoretical framework to quantify the neural scaling laws by analyzing its approximation and generalization errors. We articulate the relationship between the approximation and generalization errors of deep operator networks and key factors such as network model size and training data size. Moreover, we address cases where input functions exhibit low-dimensional structures, allowing us to derive tighter error bounds. These results also hold for deep ReLU networks and other similar structures. Our results offer a partial explanation of the neural scaling laws in operator learning and provide a theoretical foundation for their applications.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

A kinetic-based regularization method for data science applications

We propose a physics-based regularization technique for function learning, inspired by statistical mechanics. By drawing an analogy between optimizing the parameters of an interpolator and minimizing the energy of a system, we introduce corrections that impose constraints on the lower-order moments of the data distribution. This minimizes the discrepancy between the discrete and continuum representations of the data, in turn allowing to access more favorable energy landscapes, thus improving the accuracy of the interpolator. Our approach improves performance in both interpolation and regression tasks, even in high-dimensional spaces. Unlike traditional methods, it does not require empirical parameter tuning, making it particularly effective for handling noisy data. We also show that thanks to its local nature, the method offers computational and memory efficiency advantages over Radial Basis Function interpolators, especially for large datasets.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Performance evaluation of CMIP6 models on the Arctic-Siberian Plain teleconnection affecting the East Asian heat waves

The frequency and intensity of summer heat waves in East Asia have increased sharply in recent decades, significantly impacting public health and the economy. The Arctic-Siberian Plain (ASP) teleconnection pattern has been identified as a key driver, with ASP warming amplifying atmospheric circulation patterns conducive to extreme temperatures. This study evaluates the ability of Coupled Model Inter-comparison Project phase 6 models to simulate the ASP pattern across interannual variability (IAV) and intra-seasonal variability (ISV) timescales using the Common Basis Function method. The multi-model mean shows statistically significant pattern correlations with ERA5 reanalysis, with correlation coefficients of 0.90 and 0.99 for IAV and ISV, respectively. While the ASP pattern is generally well captured, models exhibit substantial inter-model diversity in the intensity and position of anticyclonic anomalies over the ASP and East Asia. Models with ASP pattern variability similar to reanalysis better reproduce extreme East Asian temperatures, whereas those over- or underestimating ASP variability exhibit lower skill. These performance differences are related to differences in simulating key variables associated with the development of the ASP pattern. Our findings highlight the role of the ASP pattern in modulating extreme heat events, as models with improved ASP simulations align more closely with observed temperature extremes. Refining ASP representations in models could enhance seasonal heat wave predictions, improving climate adaptation strategies.

Arctic-Siberian Plain (ASP)↗
DOE OSTI2025

The overlapping fragment approach for non-orthogonal configuration interaction with fragments

The non-orthogonal configuration interaction with fragments (NOCI-F) approach is extended opening the possibility to study intramolecular processes and materials with covalent or ionic lattices. So far, NOCI-F has been applied to study intermolecular energy and electron transfer employing ensembles of fragments that do not have atoms or bonds in common. The here presented approach divides the target system into two overlapping fragments that share one or more atoms and/or one or more bonds. After the construction of a collection of (multiconfigurational) fragment wave functions in a state specific optimization procedure, the fragment wave functions are combined to form many-electron basis functions for the non-orthogonal configuration interaction of the whole system. The orbitals in the overlapping fragment are defined by a corresponding orbital transformation of the fragment orbitals through a singular value decomposition. The overlapping fragments approach is first illustrated for a model system and then used to highlight some possible applications of NOCI with overlapping fragments. In conclusion, the results of excited state diffusion in transition metal oxide, intramolecular singlet fission and magnetic interactions in organic biradicals and ionic compounds are discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗