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Results for “Spectral representation”

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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
NASA NTRS1996

A New Class of Finite Difference Schemes

Fluid flows in the transitional and turbulent regimes possess a wide range of length and time scales. The numerical computation of these flows therefore requires numerical methods that can accurately represent the entire, or at least a significant portion, of this range of scales. The inaccurate representation of small scales is inherent to non-spectral schemes. This can be detrimental to computations where the energy in the small scales is comparable to that in the larger scales, e.g. large-eddy simulations of high Reynolds number turbulence. The inaccurate numerical representation of the small scales in these large-eddy simulations can result in the numerical error overwhelming the contribution of the subgrid-scale model.

Mahesh, K.↗
DOE OSTI2023

Nonequilibrium spectral moment sum rules of the Holstein–Hubbard model

Abstract We derive a general procedure for evaluating the n th derivative of a time-dependent operator in the Heisenberg representation and employ this approach to calculate the zeroth to third spectral moment sum rules of the retarded electronic Green’s function and self-energy for a system described by the Holstein–Hubbard model allowing for arbitrary spatial and time variation of all parameters (including spatially homogeneous electric fields and parameter quenches). For a translationally invariant (but time-dependent) Hamiltonian, we also provide sum rules in momentum space. The sum rules can be applied to various different phenomena like time-resolved angle-resolved photoemission spectroscopy and benchmarking the accuracy of numerical many-body calculations. This work also corrects some errors found in earlier work on simpler models.

Physics↗
DOE OSTI2026

Self-supervised and multi-fidelity learning for extended predictive soil spectroscopy

Infrared spectroscopy is a cost-effective, non-destructive, and environmentally benign technology that is increasingly recognized as an important solution for meeting the global demand for soil data. While both near-infrared (NIR) and mid-infrared (MIR) diffuse reflectance spectroscopy enable rapid estimation of soil properties, they present a significant trade-off: NIR offers superior scalability and lower operational costs, whereas MIR provides higher analytical fidelity by capturing fundamental molecular vibrations. In this study, we propose a self-supervised, multi-fidelity learning framework designed to bridge this gap. Our approach leverages large-scale MIR spectral libraries to learn a compact, transferable latent representation, into which NIR spectra are subsequently aligned for downstream prediction. The workflow consists of pretraining a latent model on a large MIR library, adapting the representation using a smaller paired NIR–MIR dataset, and evaluating generalization on an independent external test set. Across a range of chemical and physical soil properties, we found that MIR-derived embeddings improved prediction accuracy relative to baseline models that used raw MIR inputs. Predictions derived from the spectrum conversion (NIR to MIR) task did not match the performance of the original MIR spectra but were similar or superior to predictive performance of NIR-only models, suggesting the unified spectral latent space can effectively leverage the larger and more diverse MIR dataset for prediction of soil properties not well represented in current NIR libraries.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Large-eddy simulation of non-vaporizing sprays using the spectral-element method

Predictive simulations of high-pressure sprays require accurate representation of the turbulent gaseous flow field generated by liquid jet. Typically, the accuracy that can be obtained with low-order numerical methods (e.g. finite volume, finite element) is limited by stability issues in fine grids and the order of convergence of the method. In this work, we resolve the turbulent flow field in an Eulerian manner using the high-order spectral element method, coupled with a Lagrangian parcels approach to model the atomizing liquid jet. Large eddy simulations of single-hole sprays under non-evaporative conditions were conducted and compared against experimental data from Margot et al. (2008) and Spray A data from the Engine Combustion Network. The sensitivity of liquid penetration and droplet sizes to different breakup model parameters was studied. The effect of different numerical parameters, such as polynomial order of the solution (grid resolution), on liquid penetration was also analyzed. The method achieved grid-independent results using p-refinement, achieving finer resolution (by a factor of x 1.7 - x 3.5) in the gas-phase solution than in state-of-the-art simulations using the finite-volume method. Here the results showed good agreement with experimental data, demonstrating the ability of the current method to accurately capture liquid penetration and the shape of the spray.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Parameterization and Explicit Modeling of Cloud Microphysics: Approaches, Challenges, and Future Directions

Cloud microphysical processes occur at the smallest end of scales among cloud-related processes and thus must be parameterized not only in large-scale global circulation models (GCMs) but also in various higher-resolution limited-area models such as cloud-resolving models (CRMs) and large-eddy simulation (LES) models. Instead of giving a comprehensive review of existing microphysical parameterizations that have been developed over the years, this study concentrates purposely on several topics that we believe are understudied but hold great potential for further advancing bulk microphysics parameterizations: multi-moment bulk microphysics parameterizations and the role of the spectral shape of hydrometeor size distributions; discrete vs “continuous” representation of hydrometeor types; turbulence-microphysics interactions including turbulent entrainment-mixing processes and stochastic condensation; theoretical foundations for the mathematical expressions used to describe hydrometeor size distributions and hydrometeor morphology; and approaches for developing bulk microphysics parameterizations. Also presented are the spectral bin scheme and particle-based scheme (especially, super-droplet method) for representing explicit microphysics. Their advantages and disadvantages are elucidated for constructing cloud models with detailed microphysics that are essential to developing processes understanding and bulk microphysics parameterizations. Particle-resolved direct numerical simulation (DNS) models are described as an emerging technique to investigate turbulence-microphysics interactions at the most fundamental level by tracking individual particles and resolving the smallest turbulent eddies in turbulent clouds. Outstanding challenges and future research directions are explored as well.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1985

An algorithm for computing the number of distinct spectral vectors in thematic mapper data

A computationally efficient method was developed to compute the number of distinct spectral vectors and their frequency of occurrence in Landsat-4 Thematic Mapper (TM) data. The algorithm first partitions the image into spectrally disjoint subsets and then computes the frequency distribution of distinct spectral vectors within each subset from a multidimensional histogram. The overall frequency distribution is tabulated by accumulating the results from each subset. The number of distinct spectral vectors could be used as a measure of potential storage compaction of alternate data representations for data compression, or as a measure of information content in the comparison of spectral band combinations and/or spatial resolutions for an image. Results from processing three 512 x 512 pixel Landsat-4 TM images and one Landsat-4 Multispectral Scanner (MSS) image are presented as examples. An algorithm for computing the frequency distribution of distinct spectral vectors in MSS data is given in the Appendix.

Wharton, S. W.↗
DOE OSTI2025

Spectral Properties of Globally Distributed ENA Fluxes across Diverse Regions of the Heliosphere

This study analyzes energetic neutral atom (ENA) spectral properties across distinct regions of globally distributed flux (GDF) sky maps, using Interstellar Boundary Explorer data from a full solar cycle, corrected for time dispersion. By time-shifting the data to the heliosheath using GDF source distances from D. B. Reisenfeld et al., we achieve a more accurate representation of heliosheath GDF energy spectra. We quantify ENA spectral characteristics, heliosheath line-of-sight-integrated proton pressure, and heliosheath proton temperature, comparing these to solar wind properties at 1 au and interplanetary scintillation-derived solar wind data. Our findings show that the spectral index is generally anticorrelated with heliosheath proton temperature and pressure, except in the central tail, where a partial positive correlation is observed. The lowest spectral index values occur when high-latitude heliosheath regions are dominated by fast solar wind from polar coronal holes. The south pole exhibits the flattest energy spectra due to plasma heating from both fast solar wind and a late-2014 pressure pulse. The central tail shows shorter variability (5–6 yr) for spectral index and heliosheath proton temperature, while proton pressure follows the 11 yr solar cycle. Most spectral shapes exhibit a “knee” distribution, peaking during solar maximum, with an “ankle” shape observed only at the south pole during solar cycle transitions. Asymmetry in proton pressure in the lobes is driven by the draping effect of the local interstellar magnetic field. This study provides insights into the energetic properties of GDF across the heliosphere, enhancing our understanding of the heliospheric environment.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Automorphic spectra and the conformal bootstrap

We describe a new method for constraining Laplacian spectra of hyperbolic surfaces and 2-orbifolds. The main ingredient is consistency of the spectral decomposition of integrals of products of four automorphic forms. Using a combination of representation theory of PSL 2 (R) and semidefinite programming, the method yields rigorous upper bounds on the Laplacian spectral gap. In several examples, the bound is nearly sharp. For instance, our bound on all genus-2 surfaces is λ 1 ≤ 3.8388976481, while the Bolza surface has λ 1 ≈ 3.838887258. The bounds also allow us to determine the set of spectral gaps attained by all hyperbolic 2-orbifolds. Our methods can be generalized to higher-dimensional hyperbolic manifolds and to yield stronger bounds in the two-dimensional case. The ideas were closely inspired by modern conformal bootstrap.

Kravchuk, Petr↗
DOE OSTI2022

Wave resource spatial and temporal variability dependence on WEC size

As the wave energy sector grows and looks to the Blue Economy for commercialization opportunities, there is a distinct and pressing need to clearly understand and quantify the coupled impacts of wave energy converter (WEC) size and wave resource characteristics on the annual energy production, spatial variability and temporal variability. Utilizing generic frequency domain representations of the Oscilla Power Triton WEC and spectral wave conditions at PacWave (Oregon), Los Angeles (California) and WETS (Hawaii), a series of interesting results emerge. Firstly, the ‘optimal’ WEC size, from an energy standpoint, is fundamentally dependent on the frequency distribution of the incoming wave variance density spectrum. Secondly, and from a seasonality perspective, the seasonal WEC energy generation doesn’t necessarily follow the seasonal distribution of gross wave power. Finally, from an hourly power variability perspective, a reduction in WEC size generally decreases variability. However, for each of the locations investigated, there appears to be a WEC size threshold; a threshold where further reducing WEC size results in increased power variability.

16 TIDAL AND WAVE POWER↗
NASA NTRS1992

Homogeneous quantum electrodynamic turbulence

The electromagnetic field equations and Dirac equations for oppositely charged wave functions are numerically time-integrated using a spatial Fourier method. The numerical approach used, a spectral transform technique, is based on a continuum representation of physical space. The coupled classical field equations contain a dimensionless parameter which sets the strength of the nonlinear interaction (as the parameter increases, interaction volume decreases). For a parameter value of unity, highly nonlinear behavior in the time-evolution of an individual wave function, analogous to ideal fluid turbulence, is observed. In the truncated Fourier representation which is numerically implemented here, the quantum turbulence is homogeneous but anisotropic and manifests itself in the nonlinear evolution of equilibrium modal spatial spectra for the probability density of each particle and also for the electromagnetic energy density. The results show that nonlinearly interacting fermionic wave functions quickly approach a multi-mode, dynamic equilibrium state, and that this state can be determined by numerical means.

Shebalin, John V.↗
NASA NTRS1995

Spectral ordering techniques for incomplete LU preconditoners for CG methods

The effectiveness of an incomplete LU (ILU) factorization as a preconditioner for the conjugate gradient method can be highly dependent on the ordering of the matrix rows during its creation. Detailed justification for two heuristics commonly used in matrix ordering for anisotropic problems is given. The bandwidth reduction and weak connection following heuristics are implemented through an ordering method based on eigenvector computations. This spectral ordering is shown to be a good representation of the heuristics. Analysis and test cases in two and three dimensional diffusion problems demonstrate when ordering is important, and when an ILU decomposition will be ordering insensitive. The applicability of the heuristics is thus evaluated and placed on a more rigorous footing.

Clift, Simon S.↗
DOE OSTI2021

Wave Resource Spatial and Temporal Variability Dependence on WEC Size

As the wave energy sector grows and looks to the Blue Economy for commercialization opportunities, there is a distinct and pressing need to clearly understand and quantify the coupled impacts of wave energy converter (WEC) size and wave resource characteristics on the annual energy production, spatial variability and temporal variability. Utilizing generic frequency domain representations of the Oscilla Power Triton WEC and spectral wave conditions at PacWave (Oregon), Los Angeles (California) and WETS (Hawaii), a series of interesting results emerge. Firstly, the 'optimal' WEC size, from an energy standpoint, is fundamentally dependent on the frequency distribution of the incoming wave variance density spectrum. Secondly, and from a seasonality perspective, the seasonal WEC energy generation doesn't necessarily follow the seasonal distribution of gross wave power. Finally, from an hourly power variability perspective, a reduction in WEC size generally decreases variability. However, for each of the locations investigated, there appears to be a WEC size threshold; a threshold where further reducing WEC size results in increased power variability.

blue economy↗
NASA NTRS2002

A Parametric Study of Fine-scale Turbulence Mixing Noise

The present paper is a study of aerodynamic noise spectra from model functions that describe the source. The study is motivated by the need to improve the spectral shape of the MGBK jet noise prediction methodology at high frequency. The predicted spectral shape usually appears less broadband than measurements and faster decaying at high frequency. Theoretical representation of the source is based on Lilley's equation. Numerical simulations of high-speed subsonic jets as well as some recent turbulence measurements reveal a number of interesting statistical properties of turbulence correlation functions that may have a bearing on radiated noise. These studies indicate that an exponential spatial function may be a more appropriate representation of a two-point correlation compared to its Gaussian counterpart. The effect of source non-compactness on spectral shape is discussed. It is shown that source non-compactness could well be the differentiating factor between the Gaussian and exponential model functions. In particular, the fall-off of the noise spectra at high frequency is studied and it is shown that a non-compact source with an exponential model function results in a broader spectrum and better agreement with data. An alternate source model that represents the source as a covariance of the convective derivative of fine-scale turbulence kinetic energy is also examined.

Khavaran, Abbas↗
DOE OSTI2023

Direct prediction of inelastic neutron scattering spectra from the crystal structure*

Abstract Inelastic neutron scattering (INS) is a powerful technique to study vibrational dynamics of materials with several unique advantages. However, analysis and interpretation of INS spectra often require advanced modeling that needs specialized computing resources and relevant expertise. This difficulty is compounded by the limited experimental resources available to perform INS measurements. In this work, we develop a machine-learning based predictive framework which is capable of directly predicting both one-dimensional INS spectra and two-dimensional INS spectra with additional momentum resolution. By integrating symmetry-aware neural networks with autoencoders, and using a large scale synthetic INS database, high-dimensional spectral data are compressed into a latent-space representation, and a high-quality spectra prediction is achieved by using only atomic coordinates as input. Our work offers an efficient approach to predict complex multi-dimensional neutron spectra directly from simple input; it allows for improved efficiency in using the limited INS measurement resources, and sheds light on building structure-property relationships in a variety of on-the-fly experimental data analysis scenarios.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Evaluating quenching in cosmological simulations of galaxy formation with spectral covariance in the optical window

ABSTRACT Cosmological hydrodynamical simulations provide valuable insights on galaxy evolution when coupled with observational data. Comparisons with real galaxies are typically performed via scaling relations of the observables. Here, we follow an alternative approach based on the spectral covariance in a model-independent way. We build upon previous work by Sharbaf et al. that studied the covariance of high-quality SDSS (Sloan Digital Sky Survey) continuum-subtracted spectra in a relatively narrow range of velocity dispersion ($\sigma \in [100,150]$ km s$^{-1}$). Here, the same analysis is applied to synthetic data from the eagle and IllustrisTNG100 simulations, to assess the ability of these runs to mimic real galaxies. The real and simulated spectra are consistent regarding spectral covariance, although with subtle differences that can inform the implementation of subgrid physics. Spectral fitting done a posteriori on stacks segregated with respect to latent space reveals that the first principal component (PC1) is predominantly influenced by the stellar age distribution, with an underlying age–metallicity degeneracy. Good agreement is found regarding star formation prescriptions but there is disagreement with active galactic nucleus (AGN) feedback, that also affects the subset of quiescent galaxies. We show a substantial difference in the implementation of the AGN subgrid prescriptions, regarding central black hole seeding, that could lead to the mismatch. Differences are manifest between these two simulations in the star formation histories stacked with respect to latent space. We emphasize that this methodology only relies on the spectral covariance to assess whether simulations provide a true representation of galaxy formation.

Sharbaf, Z. (ORCID:0009000450545946)↗
DOE OSTI2022

Unsupervised Machine Learning for Exploratory Data Analysis of Exoplanet Transmission Spectra

Abstract Transit spectroscopy is a powerful tool for decoding the chemical compositions of the atmospheres of extrasolar planets. In this paper, we focus on unsupervised techniques for analyzing spectral data from transiting exoplanets. After cleaning and validating the data, we demonstrate methods for: (i) initial exploratory data analysis, based on summary statistics (estimates of location and variability); (ii) exploring and quantifying the existing correlations in the data; (iii) preprocessing and linearly transforming the data to its principal components; (iv) dimensionality reduction and manifold learning; (v) clustering and anomaly detection; and (vi) visualization and interpretation of the data. To illustrate the proposed unsupervised methodology, we use a well-known public benchmark data set of synthetic transit spectra. We show that there is a high degree of correlation in the spectral data, which calls for appropriate low-dimensional representations. We explore a number of different techniques for such dimensionality reduction and identify several suitable options in terms of summary statistics, principal components, etc. We uncover interesting structures in the principal component basis, namely well-defined branches corresponding to different chemical regimes of the underlying atmospheres. We demonstrate that those branches can be successfully recovered with a K-means clustering algorithm in a fully unsupervised fashion. We advocate for lower-dimensional representations of the spectroscopic data in terms of the main principal components, in order to reveal the existing structure in the data and quickly characterize the chemical class of a planet.

Matchev, Konstantin T. (ORCID:0000000341829096)↗
NASA NTRS1980

Material properties for mantle convection consistent with observed surface fields

An attempt is made to derive constraints on mantle convection from observed surface fields: plate velocities, gravity, topography and heat flow. The spherical harmonic spectra of the fields are expressed in terms of a spectral magnitude and slope, and requirements for the minimal representation of the equations for mantle convection are discussed. The effects of the boundary layer represented by the surface fields on convection at the mantle surface and at deeper levels are then examined, and a mean value of the effective mantle viscosity of approximately 10 to the 23rd g/cm per sec is obtained, together with values of 10 to the 8th and 10 to the 7th for the Rayleigh numbers of whole mantle and upper mantle convection, respectively. Consideration is then given to the compositional, thermal and rheological aspects of mantle convection, and it is pointed out that constraints on the depth and other properties of convection will require more detailed modeling using the relationships between the harmonic coefficients of the surface fields.

Kaula, W. M.↗