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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
NASA NTRS2002

An X-Ray Reprocessing Model of Disk Thermal Emission in Type 1 Seyfert Galaxies

Using a geometry consisting of a hot central Comptonizing plasma surrounded by a thin accretion disk, we model the optical through hard X-ray spectral energy distributions of the type 1 Seyfert. galaxies NGC 3516 and NGC 7469. As in the model proposed by Poutanen, Krolik, and Ryde for the X-ray binary Cygnus X-1 and later applied to Seyfert galaxies by Zdziarski, Lubifiski, and Smith, feedback between the radiation reprocessed by the disk and the thermal Comptonization emission from the hot central plasma plays a pivotal role in determining the X-ray spectrum, and as we show, the optical and ultraviolet spectra as well. Seemingly uncorrelated optical/UV and X-ray light curves, similar to those which have been observed from these objects can, in principle, be explained by variations in the size, shape, and temperature of the Comptonizing plasma. Furthermore, by positing a disk mass accretion rate which satisfies a condition for global energy balance between the thermal Comptonization luminosity and the power available from accretion, one can predict the spectral properties of the heretofore poorly measured hard X-ray continuum above approximately 50 keV in type 1 Seyfert galaxies. Conversely, forthcoming measurements of the hard X-ray continuum by more sensitive hard X-ray and soft gamma-ray telescopes, such as those aboard the International Gamma-Ray Astrophysics Laboratory (INTEGRAL) in conjunction with simultaneous optical, UV, and soft X-ray monitoring, will allow the mass accretion rates to be directly constrained for these sources in the context of this model.

Chiang, James↗
DOE OSTI2022

Predicting Switchgrass Biomass Yields Using a Spectral Vegetation Index Derived from Multispectral Satellite Imagery

Successful scaling of perennial bioenergy crop production requires a landscape design that optimizes the benefits of finite lands for people, communities, and environments. Utilizing marginal areas is the key to sustainable bioenergy crop production (Ssegane et al., 2015, 2016). Marginal areas are often small-sized lands and unevenly distributed across the agricultural landscape (Ssegane et al., 2016); thus, a systematic, semi-automated remote sensing method is needed as an effective means of estimating bioenergy crop yields across landscapes. Argonne National Laboratory (Argonne) is currently developing a tool, Scaling Up Perennial Bioenergy Economics and Ecosystem Services Tool (SUPERBEEST), to identify marginal agricultural lands and quantify environmental and economic effects of perennial bioenergy crop production systems. The tool aims to provide users a path to foster the sustainable and productive integration of bioenergy crops in the Midwestern agricultural landscape. Reliable, cost-effective, and timely estimation of bioenergy crop yields using remote sensing would help calculate and track the success of integrated bioenergy crops in the landscape for those communities. Argonne previously conducted feasibility studies for estimating biomass yields for bioenergy feedstock, corn and perennial grass using spectral vegetation indices (SVIs)1 derived from optical imagery (Hamada et al., 2015, 2021). In both studies, SVIs, more specifically those sensitive to plant chlorophyll or nitrogen contents, showed potential for estimating or predicting biomass yields with a correlation of determination (R2) ranging from 0.54 to 0.96, indicating a value for further investigation as a viable means of quantifying bioenergy feedstock production across large landscapes. Thus, the goal of this study is to evaluate the feasibility of use of SVIs as a means of estimating or predicting switchgrass biomass yields at harvest using publicly available multispectral satellite imagery. The feasibility analysis was performed using four study areas of mature switchgrass located in Virginia. Objectives are to (1) examine the SVIs and establish their relationships with switchgrass biomass yields at harvest, (2) develop a parsimonious image processing model for predicting at-harvest yields by applying the relationships with the most promising spectral index and (3) map switchgrass yields predicted by the image processing model across the study sites. The calibration to field data will rely on switchgrass biomass yields determined by the baling method, representing a potential challenge to the analysis but an important practical aspect for future applications. With this research design, the study aimed to gain insights into enabling remote sensing-based estimation of bioenergy crop yields in a reliable, cost- effective, and timely manner across large, heterogeneous landscapes.

09 BIOMASS FUELS↗
DOE OSTI2025

Predicting High‐Resolution Spatial and Spectral Features in Mass Spectrometry Imaging with Machine Learning and Multimodal Data Fusion

Recent advancements in molecular Mass Spectrometry Imaging have sparked interest in integrating high spatial resolution methods with molecular mass-spectrometry-based chemical imaging. Fusion-based algorithms have proven effective in generating high spatial-resolution molecular mass spectra. However, a significant challenge stems from the differing physical mechanisms underlying image generation and data upsampling techniques, potentially leading to discrepancies in integrated information channels. Integrating physical constraints into data processing workflows is essential to tackle this issue. In this study, we propose an innovative approach that merges data from Fourier transform ion cyclotron resonance (FTICR), time-of-flight matrix-assisted laser desorption/ionization, and time-of-flight secondary ion mass spectrometry imaging techniques. By leveraging FT-ICR's unparalleled spectral resolution and ToF-SIMS's exceptional spatial resolution, we achieve submicron spatial resolution, enabling the observation of intact molecular species with remarkable spectral precision. Canonical correlation analysis is employed to incorporate physical constraints. Through sophisticated image processing and machine learning techniques, the results of this fusion hold significant promise for advancing our comprehension of complex systems and unveiling concealed molecular intricacies.

canonical correlation analysis↗
DOE OSTI2025

Lines of Bound States in the Continuum in Monodisperse Microsphere Structures

Incorporating epitaxially grown active semiconductor media into self-assembled microsphere crystals has remained a major challenge as the curved geometry of the spheres is incompatible with conventional planar growth and patterning techniques. As a result, active photonic devices based on such self-assembled structures, which have other desirable properties such as enabling the rapid assembly of large area systems, have been elusive. Here, we numerically demonstrate an alternative route to creating high-Q resonances in microsphere-based nanophotonic assemblies compatible with standard optical gain materials. We show that close-packed layers of monodisperse microspheres can exhibit symmetry bandgaps, regardless of their layer stacking order. Thus, this microsphere environment can be used to create lines of bound states in the continuum (BICs) of an embedded slab made of active material. Using a realistic ZnS@SiO 2 (core-shell) architecture and sphere diameters compatible with scalable colloidal assembly, we predict sharp spectral features in angle-resolved transmission that trace these lines of BICs and persist in the presence of some fabrication disorder. Altogether, in enabling the integration of unpatterned epitaxial gain slabs with large-area colloidal microsphere assemblies, this approach opens a practical path toward active, dynamically reconfigurable photonic devices that leverage BIC physics for narrow-linewidth lasing and enhanced light–matter interactions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Understanding flavin electronic structure and spectra

Abstract Flavins have emerged as central to electron bifurcation, signaling, and countless enzymatic reactions. In bifurcation, two electrons acquired as a pair are separated in coupled transfers wherein the energy of both is concentrated on one of the two. This enables organisms to drive demanding reactions based on abundant low‐grade chemical fuel. To enable incorporation of this and other flavin capabilities into designed materials and devices, it is essential to understand fundamental principles of flavin electronic structure that make flavins so reactive and tunable by interactions with protein. Emerging computational tools can now replicate spectra of flavins and are gaining capacity to explain reactivity at atomistic resolution, based on electronic structures. Such fundamental understanding can moreover be transferrable to other chemical systems. A variety of computational innovations have been critical in reproducing experimental properties of flavins including their electronic spectra, vibrational signatures, and nuclear magnetic resonance (NMR) chemical shifts. A computational toolbox for understanding flavin reactivity moreover must be able to treat all five oxidation and protonation states, in addition to excited states that participate in flavoprotein's light‐driven reactions. Therefore, we compare emerging hybrid strategies and their successes in replicating effects of hydrogen bonding, the surrounding dielectric, and local electrostatics. These contribute to the protein's ability to modulate flavin reactivity, so we conclude with a survey of methods for incorporating the effects of the protein residues explicitly, as well as local dynamics. Computation is poised to elucidate the factors that affect a bound flavin's ability to mediate stunningly diverse reactions, and make life possible. This article is categorized under: Structure and Mechanism > Computational Biochemistry and Biophysics Electronic Structure Theory > Combined QM/MM Methods Theoretical and Physical Chemistry > Spectroscopy

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Adapting confocal Raman microscopy for in situ studies of redox transformations at electrode-electrolyte interfaces

Confocal Raman microscopy was applied to quantify redox species present within the diffusion layer adjacent to an electrode surface under potentiostatic control. A glass microscope coverslip with a thin indium tin oxide (ITO) coating served as both the working electrode and optical window for a microscope-stage mountable spectroelectrochemical cell. A high numerical aperture objective mounted in an inverted microscope frame just below the stage brought excitation radiation through the coverslip window and to a tight focus a few micrometers above the ITO film surface. Species diffusing into the confocal probe volume defined by the excitation beam focus and the collected light region were detected, identified and quantified based on their Raman scattering frequencies and intensities. Here, in measurements that interrogated the interconversion of ferrocyanide and ferricyanide ions as a function of applied voltage, least-squares regression analysis of spectral datasets predicted the formal potential and relative surface concentrations of the ions in good agreement with the expected Nernstian response. Preliminary studies of methyl viologen reduction at an ITO film/Nafion membrane interface were conducted and show the possibility for estimation of mass transport coefficients of redox species within ionic polymer materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Identification of Acoustic Wave Signatures in the Ionosphere From Conventional Surface Explosions Using MF/HF Doppler Sounding

Here, we present an experiment to detect one ton TNT-equivalent chemical explosions using pulsed Doppler radar observations of isodensity layers in the ionospheric E region during two campaigns. The first campaign, conducted on 15 October 2019, produced potential detections of all three shots. The detections closely resemble the temporal and spectral properties predicted using the InfraGA ray tracing and weakly nonlinear waveform propagation model. Here the model predicts that within 6.5–7.25 min of each shot a waveform peaking between 0.9 and 0.4 Hz will impact the ionosphere at 100 km. As the waves pass through this region, they will imprint their signal on an isodensity layer, which is detectable using a Doppler radar operating at the plasma frequency of the isodensity. Within the time windows of each of the three shots in the first campaign, we detect enhanced wave activity peaking near 0.5 Hz. These waves were imprinted on the Doppler signal probing an isodensity layer at 2.785 MHz near 100 km altitude. Despite these detections, the method appears to be unreliable as none of the six shots from the second campaign, conducted on 10 July 2020 were detected. The observations from this campaign were characterized by an increased acoustic noise environment in the microbarom band and persistent scintillation on the radar returns. These effects obscured any detectable signal from these shots and the baseline noise was well above the detection levels of the first campaign.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Phonon second harmonic generation in NaBr studied by inelastic neutron scattering and computer simulation

The phenomenon of second harmonic generation (SHG) was found for phonons in anharmonic NaBr by inelastic neutron scattering. The temperature dependence of this phonon SHG was measured from 300 K to 650 K. At 300 K the second harmonic (SH) is seen as a high-energy branch around 33 meV, nearly independent of $\overrightarrow{Q}$. The temperature effective potential (TDEP) method and classical molecular dynamics (MD) simulation with machine learning interatomic potential were able to reproduce the SH, and showed that SHG occurs with the flat transverse optical (TO) phonon branch. A classical model of a nonlinear medium explains the intensity and lifetime of the SH, compared to those of the TO modes. Also successful was a quantum model based on the Heisenberg-Langevin equation for interacting phonons coupled to a thermal bath, which also predicts a spectral distribution of the SH. In conclusion, the measured temperature dependence of the intensity of the second harmonic showed that it follows the Planck distribution of a one-phonon quasiparticle, and not two TO phonons.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Inverse Compton Cooling in the Coronae of Simulated Black Hole Accretion Flows

Here we present a formulation for a local cooling function to be employed in the diffuse, hot corona region of 3D GRMHD simulations of accreting black holes. This new cooling function calculates the cooling rate due to inverse Compton scattering by considering the relevant microphysics in each cell in the corona and approximating the radiation energy density and Compton temperature thereby integrating over the thermal seed photon flux from the disk surface. The method either assumes the ion and electron temperatures are equal (1T) or calculates them separately (2T) using an instantaneous equilibrium approach predicated on the actual relevant rate equations (Coulomb and Compton). The method is shown to be consistent with a more detailed ray-tracing calculation where the bulk of the cooling occurs, but is substantially less costly to perform. As an example, we apply these methods to a harm3d simulation of a 10M⊙, non-spinning black hole, accreting at nominally 1% the Eddington value. This new approach leads to radiative efficiency values sime65% above Novikov–Thorne, with a larger fraction of total cooling in the corona as compared to simulations performed using the original target-temperature cooling function. Time-averaged post-processing reveals that the continuum spectral observations predicted from these simulations are qualitatively similar to actual X-ray binary data, especially so for the 1T approach, which yields a harder power-law component (Γ = 2.25) compared to the 2T version (Γ = 2.53).

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

All-sky Faint DA White Dwarf Spectrophotometric Standards for Astrophysical Observatories: The Complete Sample

Hot DA white dwarfs (DAWDs) have fully radiative pure hydrogen atmospheres that are the least complicated to model. Pulsationally stable, they are fully characterized by their effective temperature T eff and surface gravity log g, which can be deduced from their optical spectra and used in model atmospheres to predict their spectral energy distributions (SEDs). Based on this, three bright DAWDs have defined the spectrophotometric flux scale of the CALSPEC system of the Hubble Space Telescope (HST). In this paper we add 32 new fainter (16.5 < V < 19.5) DAWDs spread over the whole sky and within the dynamic range of large telescopes. Using ground-based spectra and panchromatic photometry with HST/WFC3, a new hierarchical analysis process demonstrates consistency between model and observed fluxes above the terrestrial atmosphere to <0.004 mag rms from 2700 to 7750 Å and to 0.008 mag rms at 1.6 μm for the total set of 35 DAWDs. These DAWDs are thus established as spectrophotometric standards with unprecedented accuracy from the near-ultraviolet to the near infrared, suitable for both ground- and space-based observatories. They are embedded in existing surveys like the Sloan Digital Sky Survey, Pan-STARRS, and Gaia, and will be naturally included in the Large Synoptic Survey Telescope survey by the Rubin Observatory. With additional data and analysis to extend the validity of their SEDs further into the infrared, these spectrophotometric standard stars could be used for JWST, as well as for the Roman and Euclid observatories.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1977

Effect of the Shuttle contaminant environment on a sensitive infrared telescope

A sensitive IR telescope on the Space Shuttle Orbiter will be limited in its performance by fluctuations in the IR radiation from the natural environment and the contaminant atmosphere. Models of the Orbiter's contaminant atmosphere were used to predict its spectral radiance from 3 to 300 microns. At 350 km, statistical fluctuations in the radiation from a water vapor column, and a noise equivalent power were measured. This noise is somewhat smaller than the expected contribution from zodiacal light from 5 to 30 microns. The column density of all IR emitting molecules can be kept low only if restrictions on rocket firings and liquid vents are maintained. The relatively low frequency of particle sightings from Skylab, coupled with improvements in Orbiter venting techniques, indicate that sightings of particles 2 microns and larger in radius will not seriously hamper telescope performance provided that liquid vents and rocket firings are properly restricted.

Simpson, J. P.↗
NASA NTRS1980

The spectrum of radiation from lightning

A theory is presented for the spectrum of radiation from lightning applicable in the range LF to VHF. This is done by adopting the hypothesis that all events in the flash (e.g., return strokes, K-changes, etc.) can be modelled in terms of a current pulse propagating along a tortuous channel. Using a Fraunhofer approximation for radiation in the far field, a formula for the electric field radiated from an arbitrary event is obtained, and then this result is summed over all events to obtain an expression for the spectrum of the composite flash. The result predicts a spectral decrease as the inverse of frequency (1/v) in agreement with data.

Le Vine, D. M.↗
NASA NTRS1983

Numerical simulations of loops heated to solar flare temperatures. I - Gasdynamics. II - X-ray and UV spectroscopy

The NRL's Dynamic Flux Tube Model is used to numerically simulate the dynamic response of a coronal magnetic loop to an energy input of the order encountered in solar flares. The coronal plasma is heated by the deposition of flare energy at the top of the loop to more than 10 million K, yielding a conduction front that moves toward the chromosphere, where the plasma is heated by the large downward conductive flux and ablates upward to the coronal part of the loop at velocities of a few hundred km/sec. The conduction front simultaneously produces chromospheric ablation and compresses the material ahead of it. With the aid of compressional instabilities, the compressed plasma grows throughout the flare heating phase, presenting a possible source of the flare optical continuum emission which is correlated with soft X-ray radiation. The observational consequences of rapidly heated loop gas dynamic processes are discussed. In the second part of this presentation, the dynamical calculation results previously obtained are used to predict the spectral line intensities, profiles and wavelengths of several X-ray lines and the UV line of Fe XXI at 1354.1 A. Three different viewing orientations of the loop are considered.

Cheng, C.-C.↗
NASA NTRS1985

Observed and computed stellar line profiles - The roles played by partial redistribution, geometrical extent and expansion

Partial redistribution (PRD) radiative transfer is reviewed with emphasis on the complex interaction of observations and theoretical predictions of spectral line shapes. Although the physics of PRD was understood and formal solutions to the radiative transfer equation including PRD were published as early as 1962, more than a decade elapsed before the clear inconsistency between observed and theoretical profiles calculated with the restrictive assumption of complete redistribution stimulated the development and use of PRD semiempirical spectral analysis for the solar Lyman alpha, Ca II, and Mg II resonance lines. Work is summarized that led to 'realistic' plane parallel static chromospheric models for the sun and other late type stars, with emphasis on the determination of the temperature minimum at the base of the chromosphere and the physical basis for resonance line limb darkening, the brightness of the line wings, and the width of the emission features. Finally the various roles played by atmospheric extension and expansion (winds) in determining resonance line profile shapes are discussed, and the existing PRD calculations for late type stars are summarized.

Linsky, J. L.↗
NASA NTRS1986

Absolute radiometric calibration of the Thematic Mapper

Calibration data for the solar reflective bands of the Landsat-5 TM obtained from five in-flight absolute radiometric calibrations from July 1984-November 1985 at White Sands, New Mexico are presented and analyzed. Ground reflectance and atmospheric data were utilized to predict the spectral radiance at the entrance pupil of the TM and the average number of digital counts in each TM band. The calibration of each of the TM solar reflective bands was calculated in terms of average digital counts/unit spectral radiance for each band. It is observed that for the 12 reflectance-based measurements the rms variation from the means as a percentage of the mean is + or - 1.9 percent; for the 11 measurements in the IR bands, it is + or - 3.4 percent; and the rms variation for all 23 measurements is + or - 2.8 percent.

Slater, P. N.↗
NASA NTRS1988

The effects of rotational flow, viscosity, thickness, and shape on transonic flutter dip phenomena

The transonic flutter dip phenomena on thin airfoils, which are employed for propfan blades, is investigated using an integrated Euler/Navier-Stokes code and a two degrees of freedom typical section structural model. As a part of the code validation, the flutter characteristics of the NACA 64A010 airfoil are also investigated. In addition, the effects of artificial dissipation models, rotational flow, initial conditions, mean angle of attack, viscosity, airfoil thickness and shape on flutter are investigated. The results obtained with a Euler code for the NACA 64A010 airfoil are in reasonable agreement with published results obtained by using transonic small disturbance and Euler codes. The two artificial dissipation models, one based on the local pressure gradient scaled by a common factor and the other based on the local pressure gradient scaled by a spectral radius, predicted the same flutter speeds except in the recovery region for the case studied. The effects of rotational flow, initial conditions, mean angle of attack, and viscosity for the Reynold's number studied seem to be negligible or small on the minima of the flutter dip.

Reddy, T. S. R.↗
NASA NTRS1987

Assessment of external contamination for Space Station scientific payloads

This paper presents the analysis of the nature, the source, and the effect of contamination encountered by payloads external to the Space Station spacecraft. The contaminant modeling study determined the key contaminant sources for the Space Station payloads, together with the location, the duration, the major constituents of the contaminant, and the possibility of contaminant control. The next phase of the contamination modeling study investigates the compatibility of external Space Station payloads while on the transverse boom and the dual keel option. Other predictions include depositions on payload surfaces facing along +X, +Y, and +Z directions. An additional analysis will utilize the above data to predict the spectral brightness of the contaminants along payload lines-of-sight, making it possible for payload users to determine the impact of the contaminant background relative to the natural background.

Primeaux, Gary R.↗
NASA NTRS1988

The effects of rotational flow, viscosity, thickness, and shape on transonic flutter dip phenomena

The transonic flutter dip phenomena on thin airfoils, which are employed for propfan blades, is investigated using an integrated Euler/Navier-Stokes code and a two degrees of freedom typical section structural model. As a part of the code validation, the flutter characteristics of the NACA 64A010 airfoil are also investigated. In addition, the effects of artificial dissipation models, rotational flow, initial conditions, mean angle of attack, viscosity, airfoil thickness, and shape on flutter are investigated. The results obtained with an Euler code for the NACA 64A010 airfoil are in reasonable agreement with published results obtained by using transonic small disturbance and Euler codes. The two artifical dissipation models, one based on the local pressure gradient scaled by a common factor and the other based on the local presure gradient scaled by a spectral radius, predicted the same flutter speeds except in the recovery region for the case studied. The effects of rotation flow, initial conditions, mean angle of attack, and viscosity for the Reynolds number studied seem to be negligible or small on the minima of the flutter dip.

Reddy, T. S. R.↗