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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
NASA NTRS1973

Nuclear gamma rays from solar flares

The theory of gamma ray line emission from solar flares is reviewed and revised. It is shown that the recently observed (Chupp et al., 1972) line emissions at 0.5, 2.2, 4.4 and 6.1 MeV are due to positron annihilation, deuterium deexcitation following neutron capture on hydrogen, and the deexcitation of excited states in carbon and oxygen. From the observed relative line intensities it is possible to determine the spectrum of accelerated protons in the flare region. This spectrum is found to be very similar to that the charged particles from the flare observed near earth. The total numbers of protons at the sun is deduced from the observed absolute line intensities for various interaction models. It is found that if the protons at the sun have a spectrum which is an exponential in rigidity, the total energy in protons is a few times 10 to the 28th power ergs if the gamma rays are produced by protons moving down into the sun; and about 10 to the 30th power ergs if the gamma rays are produced at the site of the acceleration.

Ramaty, R.↗
NASA NTRS1973

Nuclear gamma rays from solar flares

The theory of gamma-ray line emission from solar flares is reviewed and revised. It is shown that the line emissions at 0.5, 2.2, 4.4, and 6.1 MeV are due to positron annihilation, deuterium deexcitation following neutron capture on hydrogen, and the deexcitation of excited states in carbon and oxygen. From the observed relative line intensities it is possible to determine the spectrum of accelerated protons in the flare region. This spectrum is found to be very similar to that of charged particles from the flare observed near earth. The total number of protons at the sun is deduced from the observed absolute line intensities for various interaction models.

Ramaty, R.↗
NASA NTRS1974

Vibrational intensity distributions for continuum photoionization of oxygen

Results from measurements of vibrational intensity distributions for continuum photoionization of O2 are reported. Measurements were made using the 584 and 304 A He lines. The photoionization cross section of O2 shows a substantial dip in magnitude over a 20 A band centered about 590 A; thus the possibility exists that a 584 A photoelectron spectrum of O2 includes an autoionized contribution and the vibrational intensity distributions may not correspond to those of continuum ionization. Oxygen photoionization cross section shows no structure around 304 A and purley continuum ionization is expected.

Gardner, J. L.↗
DOE OSTI2021

Oxygen Vacancy Injection as a Pathway to Enhancing Electromechanical Response in Ferroelectrics

Since their discovery in late 1940s, perovskite ferroelectric materials have become one of the central objects of condensed matter physics and materials science due to the broad spectrum of functional behaviors they exhibit, including electro-optical phenomena and strong electromechanical coupling. In such disordered materials, the static properties of defects such as oxygen vacancies are well explored but the dynamic effects are less understood. In this work, the first observation of enhanced electromechanical response in BaTiO3 thin films is reported driven via dynamic local oxygen vacancy control in piezoresponse force microscopy (PFM). A persistence in peizoelectricity past the bulk Curie temperature and an enhanced electromechanical response due to a created internal electric field that further enhances the intrinsic electrostriction are explicitly demonstrated. The findings are supported by a series of temperature dependent band excitation PFM in ultrahigh vacuum and a combination of modeling techniques including finite element modeling, reactive force field, and density functional theory. Furthermore, this study shows the pivotal role that dynamics of vacancies in complex oxides can play in determining functional properties and thus provides a new route toward– achieving enhanced ferroic response with higher functional temperature windows in ferroelectrics and other ferroic materials.

36 MATERIALS SCIENCE↗
NASA NTRS1989

The ultraviolet spectrum of a dayside aurora - 530-1500 A

Observations by rocket-borne spectrometers of the high-latitude dayside aurora above Cape Perry, N.W.T. are reported. UV spectra of optical emissions produced by ambient precipitating particles are obtained in the 530-1500 A region, over a range of spectrometer line-of-sight orientations, from 100 km to the rocket apogee of 452 km. The spectrum below 1500 A is dominated by transitions from neutral and singly ionized atomic oxygen. N I, N II, and N2 emissions, which are prominent in day airglow and nighttime auroral spectra measured by the same instrumentation, are very weak, indicating energy from the dayside auroral particles is transferred to the atmosphere above most of the N2. Relative line strengths of O I and O II transitions in the high-latitude dayside aurora differ in comparison with either airglow or nighttime auroral observations.

Gentieu, E. P.↗
NASA NTRS1993

Laser Rayleigh and Raman Diagnostics for Small Hydrogen/oxygen Rockets

Localized velocity, temperature, and species concentration measurements in rocket flow fields are needed to evaluate predictive computational fluid dynamics (CFD) codes and identify causes of poor rocket performance. Velocity, temperature, and total number density information have been successfully extracted from spectrally resolved Rayleigh scattering in the plume of small hydrogen/oxygen rockets. Light from a narrow band laser is scattered from the moving molecules with a Doppler shifted frequency. Two components of the velocity can be extracted by observing the scattered light from two directions. Thermal broadening of the scattered light provides a measure of the temperature, while the integrated scattering intensity is proportional to the number density. Spontaneous Raman scattering has been used to measure temperature and species concentration in similar plumes. Light from a dye laser is scattered by molecules in the rocket plume. Raman spectra scattered from major species are resolved by observing the inelastically scattered light with linear array mounted to a spectrometer. Temperature and oxygen concentrations have been extracted by fitting a model function to the measured Raman spectrum. Results of measurements on small rockets mounted inside a high altitude chamber using both diagnostic techniques are reported.

Degroot, Wilhelmus A.↗
NASA NTRSDate not supplied

BioMoSS: ROS-generating Photocatalysts for the Disinfection of Potable Water Systems

With NASA’s desire to replace iodine as the biocide within the potable water system of future missions, we continue our development of the biocidal MoS2 (BioMoSS) system. BioMoSS is a visible-light activated photocatalyst based upon few-layered vertically aligned molybdenum disulfide (FLV-MoS2) for the production of reactive oxygen species (ROS) as a biocide. FLV-MoS2 has been reported to have a high bacterial kill rate. We report significant improvements in the vertical-alignment and biocidal efficacy of the FLV-MoS2 compared to our initial results reported last year. Furthermore, we report the results of peroxide formation with and without surface deposition using gold. Finally, we investigate the delamination of the FLV-MoS2 films under immersion in water.

Antiseptics↗
NASA NTRS2005

Discovery of Oxygen Kalpha X-ray Emission from the Rings of Saturn

Using the Advanced CCD Imaging Spectrometer (ACIS), the Chandra X-ray Observatory (CXO) observed the Saturnian system for one rotation of the planet (approx.37 ks) on 20 January, 2004, and again on 26-27 January, 2004. In this letter we report the detection of X-ray emission from the rings of Saturn. The X-ray spectrum from the rings is dominated by emission in a narrow (approx.130 eV wide) energy band centered on the atomic oxygen Ka fluorescence line at 0.53 keV. The X-ray power emitted from the rings in the 0.49-0.62 keV band is about one-third of that emitted from Saturn disk in the photon energy range 0.24-2.0 keV. Our analysis also finds a clear detection of X-ray emission from the rings in the 0.49-0.62 keV band in an earlier (14-15 April, 2003) Chandra ACIS observation of Saturn. Fluorescent scattering of solar X-rays from oxygen atoms in the H20 icy ring material is the likely source mechanism for ring X-rays, consistent with the scenario of solar photo-production of a tenuous ring oxygen atmosphere and ionosphere recently discovered by Cassini.

Bhardwaj, Anil↗
DOE OSTI2021

The Low-Lying Electronic States of NO 2 : Potential Energy and Dipole Surfaces, Bound States, and Electronic Absorption Spectrum

Nitrogen dioxide, NO 2 , is a free radical composed of the two most abundant elements in Earth’s atmosphere, nitrogen and oxygen, and is relevant to atmospheric and combustion chemistry. The electronic structure of even its lowest-lying states is remarkably complex, with various conical intersections and Renner–Teller pairings, giving rise to complex and perturbed vibronic states. Here we report some analysis of the 18 molecular states of doublet spin-multiplicity formed by combining ground-state N( 4 S u ) and O( 3 P g ) atoms. In this work, three-dimensional potential energy surfaces were fit at the MRCI(Q)-F12/VTZ-F12 level, describing the lowest four ($\tilde X$, $\tilde A$, $\tilde B$, and $\tilde C$) electronic states. A properties-based diabatization procedure was applied to accommodate the intersections, producing energies in a quasidiabatic representation and yielding couplings that were also fit into surfaces. The low-lying vibrational levels on the ground $\tilde X$ state were computed and compared with experimental measurements. Compared to experiment, the lowest 125 calculated vibrational levels (up to 8500 cm –1 above the zero-point energy) have a root-mean-squared error of 16.5 cm –1 . In addition, dipole moments for each of the lowest four electronic states—and the transition dipoles between them—were also computed and fit. With the coupled energy and dipole surfaces, the electronic spectrum was calculated in absolute intensity and compared with experimental measurements. Detailed structure in the experimental spectrum was successfully reproduced, and the total integrated intensity matches experiment to an accuracy of ~1.5% with no empirical adjustments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2020

High-Precision Determination of Oxygen-Kalpha Transition Energy Excludes Incongruent Motion of Interstellar Oxygen

We demonstrate a widely applicable technique to absolutely calibrate the energy scale of x-ray spectra with experimentally well-known and accurately calculable transitions of highly charged ions, allowing us to measure the K-shell Rydberg spectrum of molecular O2 with 8 meV-uncertainty. We reveal a systematic ~450meV shift from previous literature values, and settle an extraordinary discrepancy between astrophysical and laboratory measurements of neutral atomic oxygen, the latter being calibrated against the aforementioned O2 literature values. Because of the widespread use of such, now deprecated, references, our method impacts on many branches of x-ray absorption spectroscopy. Moreover, it potentially reduces absolute uncertainties there to below the meV level.

M A Leutenegger↗
NASA NTRS1994

Predicted optical/ultraviolet line fluxes for the warm absorber in Abell 2256

Recently Miyaji et al. (1993) detected excess soft X-ray absorption in the Broad Band X Ray Telescope (BBXRT) spectrum of the cluster A2256. The absorption was due to the K-edge of oxygen; from the observed edge energy and the redshift of the cluster, Miyaji et al. argued that the primary absorber was oxygen in an ionization state between O(+2) and O(+4) at a temperature in the range 0.5-5 x 10(exp 5) K. Such gas should produce strong UV and optical line emission. We predict the strongest UV and optical line fluxes for this X-ray absorbing gas. The strongest UV lines include Lyman-alpha, C III lambda-1909, C IV lambda-1549, O IV lambda-1401, O V lambda-1218, O VI lambda-1034, Si III lambda-1207, and Si IV lambda-1397 lines. These lines should be detectable with the International Ultraviolet Explorer, the Hubble Space Telescope, or the Hopkins Ultraviolet Telescope. In the optical the lines are weaker, but the (O II) lambda lambda-3726, 3729, (O III) lambda lambda-4959, 5007, (N II) lambda lambda-6567, 6584, (Ne III) lambda lambda-3918, 3969, (S II) lambda-6720, and (S III) lambda-9320 lines should be detected with moderate exposures if the warm absorber is near the lower limit of the allowed temperature range, T less than or approximately equal to 1.5 x 10(exp 5) K. In this limit the H-alpha and (S III) lambda-3720 lines will require longer exposure times, but should be detectable as well.

Pistinner, Shlomi↗
DOE OSTI2025

2025 ASMS Investigation of the Collision-Induced Dissociation Mechanism of Protonated TODGA with IRIS

Title (20 words): Investigation of the Collision-Induced Dissociation Mechanism of Protonated TODGA with IRIS Introduction (120 words): One of the challenges facing wide-spread adoption of nuclear power is the development of efficient separation processes for used nuclear fuel. The molecules in separation processes are subjected to an extreme environment due to the high radiation fields from the used fuel and highly acidic media used for fuel dissolution, which results in significant molecular degradation, leading to reduced process efficiency. These degradation products must be identified and studied so mitigation strategies can be developed to maintain process efficiency. However, complex systems can have many degradation products, complicating identification. Untargeted analysis tools could be used to understand radiation chemistry in complex systems. However, this would necessitate improved understanding of the gas-phase fragmentation mechanisms of fuel cycle molecules like tetraoctyldiglycolamide (TODGA). Methods (120 words): The gas-phase fragmentation of protonated TODGA was investigated using collision-induced dissociation (CID), resonance ejection, and infrared ion spectroscopy (IRIS). CID and resonance ejection experiments were conducted using a Bruker Daltonics (Bremen, Gemany) SolariX XR fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer. IRIS spectra of protonated TODGA and its two CID fragmentation products were measured using a modified Bruker amaZon Speed ETD 3D quadrupole ion trap mass spectrometer coupled to the Free Electron Lasers for Infrared eXperiments (FELIX) free electron laser. Measured spectra were compared with density functional theory (DFT) calculations using the Gaussian 16, Revision C.02 software package with the ?B97X-D functional and def2-TZVPP basis sets. Candidate structures were generated using the CREST 3.0 conformational sampling software tool. Preliminary Data (300 words): Collision-induced dissociation of protonated TODGA ([C36H73N2O3]+, m/z=581.562) results two fragment ions, one at m/z=340.285 assigned as [C20H38NO3]+ and the other at m/z=312.290, assigned as [C19H38NO2]+. Based on the assigned formula and the structure of protonated TODGA, the fragment at m/z=340.285 is likely formed from elimination of neutral dioctylamine. Comparison of the IRIS spectrum of m/z=340.285 with DFT predictions suggests it contains a ring structure, and is assigned as N-octyl-N-(6-oxo-1,4-dioxan-2-ylidene)octan-1-aminium. Based on this structure and the structure of protonated TODGA, we hypothesize this fragment formed from elimination of neutral dioctylamine followed by a ring closure mechanism. Comparison of the IRIS spectrum of the fragment at m/z=312.290 with DFT predictions also indicated the presence of a ring structure, assigned as N-(1,3-dioxolan-4-ylidene)-N-octyloctan-1-aminium. This product could be formed from elimination of carbon monoxide from the ring of m/z=340.285 as a sequential fragmentation or formed directly from protonated TODGA via elimination of neutral N,N-dioctylformamide followed by a ring closure. Resonance ejection experiments where m/z=340 was continuously ejected from the IRC cell showed no decrease in intensity of m/z=312.290 across several collision energies, suggesting that the later, direct formation mechanism, dominates. The location of the ionizing proton in protonated TODGA is important for modeling the fragmentation mechanisms. DFT calculations suggested that the position of bands involving the coupled vibrations of the amide C—N and C=O bonds in TODGA are the most sensitive to proton location. Evaluation of the IRIS spectrum of protonated TODGA suggests that the ionizing proton is located between the two amid oxygens. This protonation location was calculated to lie approximately 30 kJ/mol lower in energy than the next lowest energy location, with the proton located solely on one of the amide oxygens. Novel aspect (20 words): Infrared ion spectroscopy combined with resonance ejection experiments and density functional theory to probe the collision-induced dissociation mechanism of tetraoctyldiglycolamide.

37 - INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL C↗
DOE OSTI2020

High-Precision Determination of Oxygen $K_{α}$ Transition Energy Excludes Incongruent Motion of Interstellar Oxygen

We demonstrate a widely applicable technique to absolutely calibrate the energy scale of x-ray spectra with experimentally well-known and accurately calculable transitions of highly charged ions, allowing us to measure the K-shell Rydberg spectrum of molecular O 2 with 8 meV uncertainty. Here, we reveal a systematic ~450 meV shift from previous literature values, and settle an extraordinary discrepancy between astrophysical and laboratory measurements of neutral atomic oxygen, the latter being calibrated against the aforementioned O 2 literature values. Because of the widespread use of such, now deprecated, references, our method impacts on many branches of x-ray absorption spectroscopy. Moreover, it potentially reduces absolute uncertainties there to below the meV level.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2024

An Investigation of Oxides of Tantalum Produced by Pulsed Laser Ablation and Continuous Wave Laser Heating

Recent progress has seen multiple Ta 2 O 5 polymorphs generated by different synthesis techniques. However, discrepancies arise when these polymorphs are produced in widely varying thermodynamic conditions and characterized using different techniques. This work aimed to characterize and compare Ta 2 O 5 particles formed at high and low temperatures using nanosecond pulsed laser ablation (PLA) and continuous wave (CW) laser heating of a local area of tantalum in either air or an 18 O 2 atmosphere. Scanning electron microscopy (SEM) and Raman spectroscopy of the micrometer-sized particles generated by PLA were consistent with either a localized amorphous Ta 2 O 5 phase or a similar, but not identical, crystalline β-Ta 2 O 5 phase. The Raman spectrum of the material formed at the point of CW laser impingement was in good agreement with the previously established ceramic “H-Ta 2 O 5 ” phase. TEM and electron diffraction analysis of these particles indicated the phase structure matched an oxygen-vacated superstructure of monoclinic H-Ta 2 O 5 . Further from the point of laser impingement, CW heating produced particles with a Raman spectrum that matched β-Ta 2 O 5 . We confirmed that the high-temperature ceramic phase characterized in previous work by Raman spectroscopy was the same monoclinic phase characterized in different work by TEM and could be produced by direct laser heating of metal in air.

36 MATERIALS SCIENCE↗
NASA NTRS1985

Measurements of atmospheric nitric oxide from Nimbus 7 SBUV ultraviolet spectral scan data

Results are given of SBUV (solar backscattered ultraviolet instrument) measurements from Nimbus 7, when - one day per month - it is operated in a spectral scan mode, scanning from 160 nm to 400 nm in 0.2-nm steps. By measuring the intensity of a series of nitric oxide (NO) gamma band fluorescence features in this wavelength range, it has been possible to estimate the amount of NO in the upper stratosphere and mesosphere. The background of atmospherically scattered sunlight normally masks the much weaker NO gamma band emission, but these emission features are discriminated by subtracting a synthetic spectrum calculated for a model atmosphere that includes only Rayleigh scattering and absorption by ozone and oxygen. The resulting difference plot clearly reveals features resulting from processes not included in the simple model, such as NO gamma band emission. Nitric oxide is inferred by measuring the absolute intensity of various bands relative to the adjacent background and relating this intensity to total NO above an altitude determined by the backscattering contribution function for that band. NO observations near the solstice and at various latitudes are reported.

Mcpeters, R. D.↗
NASA NTRS1992

Airglow and aurora in the atmospheres of Venus and Mars

Measurements and models of the luminosity that originates in the Martian and Venusian atmospheres, including dayglow, nightglow and aurora, are compared. Most of the emission features considered appear in the UV and visible regions of the spectrum and arise from electronic transitions of thermospheric species. Spatially and temporally variable intensities of the oxygen 1304 and 1356 A lines have been observed on the nightside of Venus and have been labeled 'auroral', that is, ascribed to electron precipitation. Only a future aeronomy mission to Mars could unequivocally determine whether such emissions are present on the nightside of Mars.

Fox, J. L.↗
NASA NTRS2000

High Resolution X-Ray Spectroscopy of zeta Puppis with the XMM-Newton Reflection Grating Spectrometer

We present the first high resolution X-ray spectrum of the bright O4Ief supergiant star Puppis, obtained with the Reflection Grating Spectrometer on- board XMM-Newton. The spectrum exhibits bright emission lines of hydrogen-like and helium-like ions of nitrogen, oxygen, neon, magnesium, and silicon, as well as neon-like ions of iron. The lines are all significantly resolved, with characteristic velocity widths of order 1000 - 1500 km/ s. The nitrogen lines are especially strong, and indicate that the shocked gas in the wind is mixed with CNO-burned material, as has been previously inferred for the atmosphere of this star from ultraviolet spectra. We find that the forbidden to intercombination line ratios within the helium-like triplets are anomalously low for N VI, O VII, and Ne IX. While this is sometimes indicative of high electron density, we show that in this case, it is instead caused by the intense ultraviolet radiation field of the star. We use this interpretation to derive constraints on the location of the X-ray emitting shocks within the wind that agree remarkably well with current theoretical models for this system.

Kahn, S. M.↗