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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
NASA NTRS1997

Large Scale Turbulent Structures in Supersonic Jets

Jet noise is a major concern in the design of commercial aircraft. Studies by various researchers suggest that aerodynamic noise is a major contributor to jet noise. Some of these studies indicate that most of the aerodynamic jet noise due to turbulent mixing occurs when there is a rapid variation in turbulent structure, i.e. rapidly growing or decaying vortices. The objective of this research was to simulate a compressible round jet to study the non-linear evolution of vortices and the resulting acoustic radiations. In particular, to understand the effect of turbulence structure on the noise. An ideal technique to study this problem is Direct Numerical Simulations(DNS), because it provides precise control on the initial and boundary conditions that lead to the turbulent structures studied. It also provides complete 3-dimensional time dependent data. Since the dynamics of a temporally evolving jet are not greatly different from those, of a spatially evolving jet, a temporal jet problem was solved, using periodicity ill the direction of the jet axis. This enables the application of Fourier spectral methods in the streamwise direction. Physically this means that turbulent structures in the jet are repeated in successive downstream cells instead of being gradually modified downstream into a jet plume. The DNS jet simulation helps us understand the various turbulent scales and mechanisms of turbulence generation in the evolution of a compressible round jet. These accurate flow solutions will be used in future research to estimate near-field acoustic radiation by computing the total outward flux across a surface and determine how it is related to the evolution of the turbulent solutions. Furthermore, these simulations allow us to investigate the sensitivity of acoustic radiations to inlet/boundary conditions, with possible application to active noise suppression. In addition, the data generated can be used to compute various turbulence quantities such as mean velocities, turbulent stresses, etc. which will aid in turbulence modeling. This report will be presented in two chapters. The first chapter describes some work on the linear stability of a supersonic round jet and the implications of this for the jet noise problem. The second chapter is an extensive discussion of numerical work using the spectral method which we use to solve the compressible Navier-Stokes equations to study turbulent jet flows. The method uses Fourier expansions in the azimuthal and streamwise direction and a 1-D B-spline basis representation in the radial direction. The B-spline basis is locally supported and this ensures block diagonal matrix equations which can be solved in O(N) steps. This is a modification of a boundary layer code developed by Robert Moser. A very accurate highly resolved Direct Numerical Simulation (DNS) of a turbulent jet flow is produced.

Rao, Ram Mohan↗
NASA NTRS1995

On the Character of the Zeros of Polynomials Relevant to the Small Curvature Approximation in Asymptotic Diffraction Theory

In dealing with the problem of estimating the high frequency coupling between two antennas mounted on a non-metallic aircraft skin, one is faced with approximation of the spectral integrals representing the propagation of rays along the geodesics of the surface between the antennas. When the antennas are sufficiently separated, the integrals can be conveniently represented as a rapidly convergent residue series. On the other hand, when the antennas are in close proximity, the residue series fails to converge rapidly and a power series representation proves to be efficacious. [Paknys and Wang, IEEE Trans. AP-35(3), 1987, 293-298]. When the effective surface impedance is not small, an intermediate region of separation appears in which neither the residue series nor the power series is effective. Recently, an asymptotic formalism was presented [Pogorzelski, National Radio Science Meeting, Boulder, CO, January 1995] which extends the earlier work of Bremmer [IRE Trans. AP-6, 1958, 267-272] and Wait curvature approximation' to the case of general (non-azimuthal) ray directions on the surface of a cylinder (excluding only axial propagation). Based on the formulation of Pearson [Radio Sci. 21(4), 1986] this asymptotic formalism provided a means of approximating the spectral integrals in the intermediate region of separation.

Zeros Polynomials↗
NASA NTRS1995

A Globally Optimal Minimax Solution for Spectral Overbounding and Factorization

In this paper, an algorithm is introduced to find a minimum phase transfer function of specified order whose magnitude "tightly" overbounds a specified real-valued nonparametric function of frequency. This method has direct application to transforming nonparametric uncertainty bounds (available from system identification experiments and/or plant modeling) into parametric representations required for modern robust control design software (i.e., a minimum-phase transfer function multiplied by a norm-bounded perturbation).

Scheid, Robert E.↗
DOE OSTI2020

UQ Toolkit v 2.0

The Uncertainty Quantification (UQ) Toolkit is a software library for the characterizaton and propagation of uncertainties in computational models. For the characterization of uncertainties, Bayesian inference tools are provided to infer uncertain model parameters, as well as Bayesian compressive sensing methods for discovering sparse representations of high-dimensional input-output response surfaces, and also Karhunen-Loève expansions for representing stochastic processes. Uncertain parameters are treated as random variables and represented with Polynomial Chaos expansions (PCEs). The library implements several spectral basis function types (e.g. Hermite basis functions in terms of Gaussian random variables or Legendre basis functions in terms of uniform random variables) that can be used to represent random variables with PCEs. For propagation of uncertainty, tools are provided to propagate PCEs that describe the input uncertainty through the computational model using either intrusive methods (Galerkin projection of equations onto basis functions) or non-intrusive methods (perform deterministic operation at sampled values of the random values and project the obtained results onto basis functions).

Safta, Cosmin↗
NASA NTRS1977

SAS-2 observations of the diffuse gamma radiation in the galactic latitude interval 10 deg absolute b or equal to 90 deg

An analysis of all of the second small astronomy satellite gamma-ray data for galactic latitudes with the absolute value of b 10 deg has shown that the intensity varies with galactic latitude, being larger near 10 deg than 90 deg. For energies above 100 MeV the gamma-ray data are consistent with a latitude distribution of the form I(b) = C sub 1 + C sub 2/sin b, with the second term being dominant. This result suggests that the radiation above 100 MeV is coming largely from local regions of the galactic disk. Between 35 and 100 MeV, a similar equation is also a good representation of the data, but here the two terms are comparable. These results indicate that the diffuse radiation above 35 MeV consists of two parts, one with a relatively hard galactic component and the other an isotropic, steep spectral component which extrapolates back well to the low energy diffuse radiation. The steepness of the diffuse isotropic component places significant constraints on possible theoretical models of this radiation.

Fichtel, C. E.↗
NASA NTRS1977

SAS-2 observations of the diffuse gamma radiation in the galactic latitude interval from 10 to 90 deg in both hemispheres

An analysis of all the second Small Astronomy Satellite (SAS-2) gamma-ray data for galactic latitudes higher than 10 deg in both hemispheres has shown that the intensity varies with galactic latitude, being larger near 10 deg than 90 deg. For energies above 100 MeV the gamma-ray data are consistent with a latitude distribution of the form I(b) = C1 + C2/sin b, with the second term being dominant. This result suggests that the radiation above 100 MeV is coming largely from local regions of the galactic disk. Between 35 and 100 MeV, a similar equation is also a good representation of the data, but here the two terms are comparable. These results indicate that the diffuse radiation above 35 MeV consists of two parts, one with a relatively hard galactic component and the other an isotropic steep spectral component which extrapolates back well to the low-energy (less than 10 MeV) diffuse radiation. The steepness of the diffuse isotropic component places significant constraints on possible theoretical models of this radiation.

Fichtel, C. E.↗
DOE OSTI2025

Advancing AI-Driven Analysis in X-ray Absorption Spectroscopy: Spectral Domain Mapping and Universal Models

In recent years, rapid progress has been made in developing artificial intelligence (AI) and machine learning (ML) methods for X-ray absorption spectroscopy (XAS) analysis. Compared to traditional XAS analysis methods, AI/ML approaches offer dramatic improvements in efficiency and help eliminate human bias. To advance this field, we advocate an AI-driven XAS analysis pipeline that features several interconnected key building blocks: benchmarks, workflows, databases, and AI/ML models. Specifically, we present two case studies for XAS ML. In the first study, we demonstrate the importance of reconciling the discrepancies between simulation and experiment using spectral domain mapping (SDM). Our ML model, which is trained solely on simulated spectra, predicts an incorrect oxidation state trend for Ti atoms in a combinatorial zinc titanate film. After transforming the experimental spectra into a simulation-like representation using SDM, the same model successfully recovers the correct oxidation state trend. In the second study, we explore the development of universal XAS ML models that are trained on the entire periodic table, which enables them to leverage common trends across elements. Looking ahead, we envision that an AI-driven pipeline can unlock the potential of real-time XAS analysis to accelerate scientific discovery.

36 MATERIALS SCIENCE↗
NASA NTRS1973

Direct integration transmittance model

A transmittance model was developed for the 200-2000/cm region for interpretation of high spectral resolution measurements of laboratory absorption and of planetary thermal emission. The high spectral resolution requires transmittances to be computed monochromatically by summing the contribution of individual molecular absorption lines. A magnetic tape atlas of H2O,O3, and CO2 molecular line parameters serves as input to the transmittance model with simple empirical representations used for continuum regions wherever suitable laboratory data exist. The theoretical formulation of the transmittance model and the computational procedures used for the evaluation of the transmittances are discussed. Application is demonstrated of the model to several homogenous path laboratory absorption examples.

Kunde, V. G.↗
NASA NTRS1974

Direct integration transmittance model

A transmittance model has been developed for interpretation of high spectral resolution measurements of laboratory absorption and of planetary thermal emission. The high spectral resolution requires transmittances to be computed monochromatically by summing the contribution of individual molecular absorption lines. A magnetic tape atlas of H2O, O3, and CO2 molecular line parameters serves as input to the transmittance model with simple empirical representations used for continuum regions wherever suitable laboratory data exist. The theoretical formulation of the transmittance model and the computational procedures used for the evaluation of the transmittances are discussed, and application of the model to several homogeneous-path laboratory absorption examples is demonstrated.

Kunde, V. G.↗
NASA NTRS1980

Ab initio projected-unrestricted Hartree-Fock calculation of some potential energy curves for carbonyl fluoride

Some potential energy curves for CF2O were calculated using projected-unrestricted Hartree-Fock (PUHF) theory. The calculations employed a contracted (4s 3p) Gaussian-type atomic orbital basis set. Bound states were found for the X-tilde 1A1 and 1,3A2 states while the 1,3B1 and 1,3B2 states were repulsive in the valence representation. The merits of the PUHF treatment for excited states are discussed. The results are discussed in terms of available experimental information and previous calculations with particular emphasis on the question of the photolysis channels open in the solar spectral region.

Brewer, D. A.↗
NASA NTRS1981

Geologic application of thermal inertia imaging using HCMM data

Three test sites in the western US were selected to discriminate among surface geologic materials on the basis of their thermal properties as determined from HCMM data. Attempts to determine quantitatively accurate thermal inertia values from HCMM digital data met with only partial success due to the effects of sensor miscalibrations, radiative transfer in the atmosphere, and varying meteorology and elevation across a scene. In most instances, apparent thermal inertia was found to be an excellent qualitative representation of true thermal inertia. Computer processing of digital day and night HCMM data allowed construction of geologically useful images. At some test sites, more information was provided by data than LANDSAT data. Soil moisture effects and differences in spectrally dark materials were more effectively displayed using the thermal data.

Kahle, A. B.↗
NASA NTRS1992

On the calculation of atomic term populations

The usefulness of calculations on model atomic term systems which can give spectral multiplet intensities is emphasized, in contrast to more detailed level calculations which are not always feasible because of lack of appropriate atomic data. A more general expression for the multiplet radiative transition rate is proposed to facilitate term representations. The differences between term and level representations are discussed quantitatively with respect to a model three-level atom and real examples of the C III and Ne IV ions. It is shown that term representations fail at lower densities when level inverse lifetimes within terms differ by only a few orders of magnitude. In such cases one must resort to other methods; a hybrid calculation is therefore proposed to fill this need and is carried out for the C III ion to demonstrate its feasibility and validity.

Kastner, S. O.↗
DOE OSTI2020

Application of dilaton chiral perturbation theory to N f = 8 , SU(3) spectral data

We extend dilaton chiral perturbation theory (dChPT) to include the taste splittings in the Nambu-Goldstone sector observed in lattice simulations of near-conformal theories with staggered fermions. We then apply dChPT to a recent simulation by the LSD collaboration of the SU(3) gauge theory with 8 fermions in the fundamental representation, which is believed to exhibit near-conformal behavior in the infrared, and in which a light singlet scalar state, nearly degenerate with the pions, has been found. We find that the mesonic sector of this theory can be successfully described by dChPT, including, in particular, the mesonic taste splittings found in the simulation. We confirm that current simulations of this theory are in the "large-mass" regime.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

CFD simulations of Molten Salt Fast Reactor core cavity flows

Computational Fluid Dynamics (CFD) has become increasingly important in the research and development of advanced nuclear reactors. Here, in the current study, extensive CFD simulations were conducted for the coolant flow in Molten Salt Fast Reactor (MSFR) core models using the state-of-the-art spectral element flow solver Nek5000 and multiscale coarse-mesh thermal-hydraulic software Pronghorn. The underlying motivation is to seek an in-depth understanding of how the internal velocity distribution can be influenced by the MSFR core cavity shape, the Reynolds number, turbulence modeling options and the inlet boundary conditions. The CFD techniques involved in this investigation range from coarse-mesh CFD, RANS modeling, to the high-fidelity LES calculations. Specifically, a series of RANS simulations were performed for the 2-D axisymmetric core model and 3-D wedge domains to study the flow distribution inside the MSFR core. It is observed that a proper representation of the MSFR inlet channel duct is important for the prediction of internal flow distribution. It is also showcased here how researchers can leverage the Nek5000 CFD results to calibrate more efficient coarse-mesh CFD tools, like Pronghorn, for the actual MSFR design needs. Moreover, this paper highlights a 3-D LES model for an entire MSFR core using the spectral element method and demonstrates the feasibility of this modeling approach. The readiness and potential limitations of the RANS approach are examined with respect to the high-fidelity LES simulations. The present investigation lays a solid foundation as we are leveraging the high-fidelity CFD capabilities to inform MSFR design efforts.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Spanning the Gap From Bulk to Bin: A Novel Spectral Microphysics Method

Microphysics methods for climate models and numerical weather prediction typically track one, two, or three moments of a droplet size distribution for various categories of liquid, ice, and aerosol. Such methods rely on conversion parameters between these categories, which introduces uncertainty into predictions. While higher-fidelity options such as bin and Lagrangian schemes exist, they require too many degrees of freedom for climate modeling applications and introduce numerical challenges. Here we introduce a flexible spectral microphysics method based on collocation of basis functions. This method generalizes to a linear bulk scheme when using few basis functions and to a smoothed bin scheme with more degrees of freedom. Tested in an idealized box setting, the method improves spectral accuracy for droplet collision-coalescence and may eliminate the need for precipitation autoconversion rates required by bulk methods; furthermore, it generalizes well to multimodal distributions with less complexity than a bin method. The potential to extend this collocation representation to multiple hydrometeor classes suggests a path forward to unify liquid, ice, and aerosol microphysics in a single, flexible, computational framework for climate modeling.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Quasi-Lindblad pseudomode theory for open quantum systems

Here, we introduce a new framework to study the dynamics of open quantum systems with linearly coupled Gaussian baths. Our approach replaces the continuous bath with an auxiliary discrete set of pseudomodes with dissipative dynamics, but we further relax the complete positivity requirement in the Lindblad master equation and formulate a quasi-Lindblad pseudomode theory. We show that this quasi-Lindblad pseudomode formulation directly leads to a representation of the bath correlation function in terms of a complex weighted sum of complex exponentials, an expansion that is known to be rapidly convergent in practice and thus leads to a compact set of pseudomodes. The pseudomode representation is not unique and can differ by a gauge choice. When the global dynamics can be simulated exactly, the system dynamics is unique and independent of the specific pseudomode representation. However, the gauge choice may affect the stability of the global dynamics, and we provide an analysis of why and when the global dynamics can retain stability despite losing positivity. We showcase the performance of this formulation across various spectral densities in both bosonic and fermionic problems, finding significant improvements over conventional pseudomode formulations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2017

The HITRAN2016 Molecular Spectroscopic Database

This paper describes the contents of the 2016 edition of the HITRAN molecular spectroscopic compilation. The new edition replaces the previous HITRAN edition of 2012 and its updates during the intervening years. The HITRAN molecular absorption compilation is composed of five major components: the traditional line-by-line spectroscopic parameters required for high-resolution radiative-transfer codes, infrared absorption cross-sections for molecules not yet amenable to representation in a line-by-line form, collision-induced absorption data, aerosol indices of refraction, and general tables such as partition sums that apply globally to the data. The new HITRAN is greatly extended in terms of accuracy, spectral coverage, additional absorption phenomena, added line-shape formalisms, and validity. Moreover, molecules, isotopologues, and perturbing gases have been added that address the issues of atmospheres beyond the Earth. Of considerable note, experimental IR cross-sections for almost 300 additional molecules important in different areas of atmospheric science have been added to the database. The compilation can be accessed through www.hitran.org. Most of the HITRAN data have now been cast into an underlying relational database structure that offers many advantages over the long-standing sequential text-based structure. The new structure empowers the user in many ways. It enables the incorporation of an extended set of fundamental parameters per transition, sophisticated line-shape formalisms, easy user-defined output formats, and very convenient searching, filtering, and plotting of data. A powerful application programming interface making use of structured query language (SQL) features for higher-level applications of HITRAN is also provided.

HITRAN↗