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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 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
NASA NTRS1999

Determination of Spectroscopic Properties of Atmospheric Molecules from High Resolution Vacuum Ultraviolet Cross Section and Wavelength Measurements

We have studied the spectroscopy and the cross sections of the simple molecules of atmospheric interest such as oxygen, nitric oxide, carbon dioxide, and water. We have made cross section measurements on an absolute base without the effects from the limited instrumental resolution. We have used the following different instruments- the grating spectrometer (6.65-m at CfA, 3-m at Photon Factory), VUV Fourier transform spectrometer at Imperial College, and then moved the same one to the Photon Factory. Selection of the instruments depend on the appearance of molecular bands, and their wavelength region. For example, the cross section measurements of Doppler limited bands can been done with the Fourier transform spectrometer at the very high resolution (0.025/ cm resolution). All of these spectroscopic measurements are needed for accurate calculations of the production of atomic oxygen penetration of solar radiation into the Earth's atmosphere, and photochemistry of minor molecules.

Parkinson, W. H.↗
DOE OSTI2026

Stochastic GW -GPU: Rapid Quasi-Particle Energies for Molecules beyond 10,000 Atoms

StochasticGW is a code for computing accurate quasi-particle (QP) energies of molecules and material systems in the GW approximation. StochasticGW utilizes the stochastic Resolution of the Identity (sROI) technique to enable a massively parallel implementation with computational costs that scale semilinearly with system size, allowing the method to access systems with tens of thousands of electrons. Here, we introduce a new implementation, StochasticGW-GPU, for which the main bottleneck steps have been ported to GPUs and give substantial performance improvements over previous versions of the code. We showcase the new code by computing band gaps of hydrogenated silicon clusters (Si x H y ) containing up to 10,001 atoms and 35,144 electrons, and we obtain individual QP energies with a statistical precision of better than ±0.03 eV with times-to-solution of less than 1 h.

Thomas, Phillip S. [Lawrence Berkeley National Lab↗
NASA NTRS1993

Remote sounding of tropospheric minor constituents

The etalon interferometer, or Fabry-Perot interferometer (FPI), with its high throughput and high spectral resolution was widely used in the remote-sensing measurements of the earth's atmospheric composition, winds, and temperatures. The most recent satellite instruments include the Fabry-Perot interferometer flown on the Dynamics Explorer-2 (DE-2) and the High Resolution Doppler Imager (HRDI) to be flown on the Upper Atmosphere Research Satellite (UARS). These instruments measure the Doppler line profiles of the emission and absorption of certain atmospheric species (such as atomic oxygen) in the visible spectral region. The successful space flight of DE-FPI and the test and delivery of UARS-HRDI demonstrated the extremely high spectral resolution and ruggedness of the etalon system for the remote sensing of earth and planetary atmospheres. Recently, an innovative FPI focal plane detection technique called the Circle-to-Line Interferometer Optical (CLIO) system was invented at the Space Physics Research Laboratory (SPRL). The CLIO simplifies the FPI focal plane detection process by converting the circular rings or fringes into a linear pattern similar to that produced by a conventional spectrometer, while retaining the throughput advantage of the etalon interferometer. CLIO makes the use of linear array detectors more practical and efficient with FPI, the combination of FPI and CLIO represents a very promising new technique for the remote sensing of the lower atmospheres of Earth, Mars, Venus, Neptune, and other planets. The Multiorder Etalon Spectrometer (MOES), as a combination of the rugged etalon and the CLIO, compares very favorably to other spaceborne optical instruments in terms of performance versus complexity. The feasibility of an advanced etalon spectrometer for the remote sensing of tropospheric trace species, particularly carbon monoxide (CO), nitrous oxide (N2O), and methane (CH4) was discussed. The etalon atmospheric spectroscopy techniques are described, instrument design and related technical issues are discussed. The primary objective is to establish the concept of atmospheric spectroscopy with the CLIO and etalon system and its applications for the measurements of tropospheric trace species analyze system requirements and performance, determine the feasibility of components and subsystem implementation with available technology, and develop inversion algorithm for retrieval simulation and data analysis.

Drayson, S. Roland↗
DOE OSTI2025

Super-resolution stimulated X-ray Raman spectroscopy

Propagation of intense X-ray pulses through dense media has led to the observation of phenomena such as atomic X-ray lasing, self-induced transparency and stimulated X-ray Raman scattering (SXRS)4. SXRS has been long predicted as a means to launch and probe valence-electron wavepackets and as a building block for nonlinear X-ray spectroscopies. However, experimental observations of SXRS to date have not provided spectroscopic information, and theoretical modelling has largely implemented hard-to-realize phase-coherent attosecond pulses. Here we demonstrate SXRS with spectroscopic precision, that is, detection of valence-excited states in neon with a near Fourier-limited joint energy–time resolution of 0.1 eV–40 fs. We used a new covariance analysis between statistically spiky broadband incident X-ray and scattered X-ray Raman pulses. Using 18,000 single shots, we beat not only the incident (about 8 eV) bandwidth but also the approximately 0.2 eV instrumental energy resolution, thus creating super-resolution conditions, in analogy to super-resolved fluorescence microscopy. Our experimental results, supported by ab initio propagation simulations, reveal the competition between lasing in the ion and stimulated Raman scattering in the neutral. We demonstrate enhanced signal collection efficiency and a broad excitation window, surpassing spontaneous Raman efficiencies by orders of magnitude. This stochastic SXRS approach represents a first step towards tracking elementary events that determine chemical outcomes.

nonlinear x-ray spectroscopy↗
NASA NTRS2010

High Resolution, Non-Dispersive X-Ray Calorimeter Spectrometers on EBITs and Orbiting Observatories

X-ray spectroscopy is the primary tool for performing atomic physics with Electron beam ion trap (EBITs). X-ray instruments have generally fallen into two general categories, 1) dispersive instruments with very high spectral resolving powers but limited spectral range, limited count rates, and require an entrance slit, generally, for EBITs, defined by the electron beam itself, and 2) non-dispersive solid-state detectors with much lower spectral resolving powers but that have a broad dynamic range, high count rate ability and do not require a slit. Both of these approaches have compromises that limit the type and efficiency of measurements that can be performed. In 1984 NASA initiated a program to produce a non-dispersive instrument with high spectral resolving power for x-ray astrophysics based on the cryogenic x-ray calorimeter. This program produced the XRS non-dispersive spectrometers on the Astro-E, Astro-E2 (Suzaku) orbiting observatories, the SXS instrument on the Astro-H observatory, and the planned XMS instrument on the International X-ray Observatory. Complimenting these spaceflight programs, a permanent high-resolution x-ray calorimeter spectrometer, the XRS/EBIT, was installed on the LLNL EBIT in 2000. This unique instrument was upgraded to a spectral resolving power of 1000 at 6 keV in 2003 and replaced by a nearly autonomous production-class spectrometer, the EBIT Calorimeter Spectrometer (ECS), in 2007. The ECS spectrometer has a simultaneous bandpass from 0.07 to over 100 keV with a spectral resolving power of 1300 at 6 keV with unit quantum efficiency, and 1900 at 60 keV with a quantum efficiency of 30%. X-ray calorimeters are event based, single photon spectrometers with event time tagging to better than 10 us. We are currently developing a follow-on instrument based on a newer generation of x-ray calorimeters with a spectral resolving power of 3000 at 6 keV, and improved timing and measurement cadence. The unique capabilities of the x-ray calorimeter spectrometer, coupled with higher spectral resolution dispersive spectrometers to resolve line blends, has enabled many science investigations, to date mostly in our x-ray laboratory astrophysics program. These include measurements of absolute cross sections for Land K shell emission from Fe and Ni, charge exchange measurements in many astrophysically abundant elements, lifetime measurements, line ratios, and wavelength measurements. In addition, we have performed many additional measurements in nuclear physics, and in support of diagnostics for laser fusion, for example. In this presentation we will give a detailed overview of x-ray calorimeter instruments in general and in our EBIT laboratory astrophysics program in particular. We will also discuss the science yield of our measurements at EBIT over the last decade) prospects for future science enabled by the current generation of spectrometers and that will be expanded in the near future by the next generation of spectrometers starting in 2611.

Porter, Frederick S.↗
DOE OSTI2026

Mitigating electrochemical degradation in CsPbBr{sub 3} gamma detectors by organic and inorganic encapsulation.

CsPbBr3 perovskite semiconductors have emerged as a leading candidate for nextgeneration radiation detectors because of their exceptional charge transport properties, defect tolerance, and record-breaking sensitivity and energy resolution. Their long-term stability, however, is hindered by electrode-driven electrochemical decomposition, which is accelerated by moisture- and oxygen-assisted ion migration during operation. Here, we investigated organic and inorganic encapsulation strategies as both environmental barriers and means to suppress interfacial degradation pathways. Atomic layer deposition (ALD) of Al2O3 provided a conformal passivation layer that blocked environmental ingress, suppressed ionic diffusion, reduced leakage current, enhanced energy resolution and expanded the operational electric-field window beyond 5 kV∙cm1 . By contrast, organic encapsulants such as paraffin wax and polystyrene slowed moisture diffusion but did not suppress interfacial reactions, with wax extending stability to over 90 days. These results show that ALD-Al2O3 suppresses dominant interfacial degradation pathways, enabling stable, high-field operation and advancing the practical deployment of CsPbBr3 γ-ray detectors.

Unal, Mustafa↗
NASA NTRS1999

Atomic Data Needs for X-Ray Astronomy

This publication contains written versions of most of the invited talks presented at the workshop on Atomic Data Needs for X-ray Astronomy which was held at NASA's Goddard Space Flight Center on December 16-1 7 1999. The idea of hosting such a workshop emerged from an imminent need to update and complete current atomic datasets in anticipation of a new era of high quality X-ray spectra starting with the launching of Chandra and XMM-Newton observatories. At first, our vision of the workshop was of a short and limited attendance event, given the specialization of the topic. But it, was soon realized, from the response to the first workshop announcement, that the topic was of much interest, to researchers working in X-ray spectra (physicists and astronomers). As a result, the workshop grew to approximately 120 participants from several countries. The kind of atomic data that interests us are those parameters needed for analysis and modeling of spectra shortward of about about 100 A and relevant to ionic species of astronomical interest. The physical mechanisms of interest in the formation of spectra include photoionization. collisional ionization, recombination (radiative and dielectronic). collisional excitation (by electrons and protons). and radiative deexcitation. Unique to X-ray spectroscopy are the ionization and excitation processes from inner-closed shells. in addition to the challenges in interpret,ing the medium resolution (epsilon/delta epsilon is about 0.05 - 0.1) data obtained by current X-ray astronomy experiments. Line wavelengths are of interest too, particularly owing to the high resolution spectra from the new experiments. The workshop was divided into five major areas: Observational Spectroscopy, Theoretical Calculations of Atomic Data, Laboratory Measurements of Atomic Parameters. Spectra Modeling, and Atomic Databases. One comforting finding from the work shop is that the enthusiasm felt by X-ray astronomers about the new observational missions seems to be shared by theoretical and experimental physicists. Talks were presented about several exciting new projects and experimental and theoretical techniques devoted to X-ray spectroscopy. Simultaneously, several new tools for spectral analysis and modeling have recently been developed, together with improved atomic databases. These proceeding are expected to be of interests to producers and users of atomic data. Moreover. the contributions presented here have been written in a way that can be used by a general audience of scientists and graduate students in X-ray astronomy, modelling, and in computational and experimental atomic physics.

Kallman, Timothy↗
NASA NTRS1977

Far ultraviolet atomic and molecular nitrogen emissions in the dayglow

A scanning spectrophotometer was used to observe the far ultraviolet day airglow between 1130 and 1520 A at 4.4-A spectral resolution. Fourteen bands of the N2 Lyman-Birge-Hopfield (LBH) system are clearly resolved and suggest a total LBH system zenith column emission rate of 3810 plus or minus 520 R extrapolated to the subsolar point. A photoelectron flux model (based on recent photoelectron flux measurements and the observed LBH altitude profile) is used to derive the direct and dissociative excitation contributions to the atomic nitrogen emissions. The calculated atomic nitrogen density agrees with other measurements, although it is an order of magnitude greater than previous photochemical model results.

Takacs, P. Z.↗
NASA NTRS2001

Fast prototyping of high-aspect ratio, high-resolution x-ray masks by gas-assisted focused ion beam

The capacity of chemically-assisted focused ion beam (fib) etching systems to undertake direct and highly anisotropic erosion of thin and thick gold (or other high atomic number [Z])coatings on x-ray mask membranes/substrates provides new levels of precision, flexibility, simplification and rapidity in the manufacture of mask absorber patterns, allowing the fast prototyping of high aspect ratio, high-resolution masks for deep x-ray lithography.

fast prototyping of high-aspect ratio high-resolut↗
NASA NTRSDate not supplied

Building and Breaking Carbon Composites with REACTER

Carbon composites have become indispensable for aerospace and other high-performance applications, and a detailed picture of their morphology and failure mechanisms remains difficult to obtain through experiment. REACTER is a versatile computational modeling tool for atomistic molecular dynamics designed to model chemical reactions at the speed and length scales of classical force fields.1 In this work, several recent features of REACTER were applied to the creation and subsequent mechanical testing of two classes of carbon composites, carbon-fiber reinforced polymers (CFRP) and carbon nanotube (CNT) composites. Carbon fiber core morphologies were created by the method of Desai et al.,2 but using the advanced reaction constraints framework of REACTER, their proposed multistep procedure was reduced to a single uninterrupted molecular dynamics simulation. The carbon fiber filler was embedded into a polymer matrix by simulated in situ polymerization of several thermosetting resins, including bismaleimide and polyarylacetylene, to obtain the final CFRP model. To generate the second class of carbon composite, CNT networks were grown dynamically using the new ‘create atoms’ feature of REACTER, and similarly infiltrated with resin to obtain CNT composites. The resulting models were compared directly to experiment using simulated high resolution transmission electron microscopy and x-ray diffraction. Failure mechanisms were elucidated by simulating mechanically induced bond breaking, as characterized by third-order DFT-based tight-binding (DFTB3) simulations, via a reaction constraint on the total potential energy of the involved atoms.

Molecular Dynamics↗
NASA NTRS1993

Multiorder etalon sounder (MOES) development and test for balloon experiment

The Fabry-Perot interferometer (FPI), with its high throughput and high spectral resolution has been used in the remote-sensing measurements of the earth's atmospheric composition, winds, and temperatures. The most recent satellite instruments include the Fabry-Perot interferometer flown on the Dynamics Explorer-2 (DE-2), the High Resolution Doppler Imager (HRDI), and the Cryogenic Limb Array Etalon Spectrometer (CLAES) flown on the Upper Atmosphere Research Satellite (UARS). These instruments measure the Doppler line profiles of the emission and absorption of certain atmospheric species (such as atomic oxygen) in the visible and infrared spectral region. The successful space flight of DE-FPI, HRDI, and CLAES on UARS demonstrated the extremely high spectral resolution and ruggedness of the etalon system for the remote sensing of earth and planetary atmospheres. Recently, an innovative FPI focal plane detection technique called the Circle-to-Line Interferometer Optical (CLIO) system was invented at the Space Physics Research Laboratory. The CLIO simplifies the FPI focal plane detection process by converting the circular rings or fringes into a linear pattern similar to that produced by a conventional spectrometer, while retaining the throughput advantage of the etalon interferometer. The combination of FPI and CLIO allows the development of more sensitive Fabry-Perot interferometers in the infrared for the remote sensing of the lower atmospheres of Earth and possibly other planets. The Multiorder Etalon Sounder (MOES), a combination of the rugged etalon and the CLIO, compares very favorably to other space-borne optical instruments in terms of performance versus complexity. The new instrument is expected to be rugged, compact, and very suitable for an operational temperature and moisture sounder. With this technique, the contamination of radiance measurements by emissions of other gases is also minimized. At the Space Physics Research Laboratory (SPRL), the MOES concept and laboratory experiments were worked on for the past several years. Both theoretical studies and laboratory prototype experiments showed that MOES is very competitive compared with other high resolution sounders in terms of complexity and performance and has great potential as a compact and rugged high resolution atmospheric temperature and trace species sounder from the polar platform or the geostationary platform. The logical next step is to convert our laboratory prototype to a balloon instrument, so that field test of MOES can be carried out to prove the feasibility and capability of this new technology. Some of the activities related to the development of MOES for a possible balloon flight demonstration are described. Those research activities include the imaging quality study on the CLIO, the design and construction of a MOES laboratory prototype, the test and calibration of the MOES prototype, and the design of the balloon flight gondola.

Hays, Paul B.↗
NASA NTRS1980

XPS studies of structure-induced radiation effects at the Si/SiO2 interface

The interfacial structures of radiation hard and soft oxides grown by dry and wet processes on silicon substrates have been examined by high-resolution X-ray photoelectron spectroscopy. It is found that the primary difference in the local atomic structure at the Si/SiO2 interface is the significantly higher concentration of strained 120 deg SiO2 bonds and SiO interfacial species in soft samples. Results of in situ radiation damage experiments using low energy electrons (0-20 eV) are reported which correlate with the presence of a strained layer of SiO2 (20 A) at the interface. The results are interpreted in terms of a structural model for hole and electron trap generation by ionizing radiation.

Grunthaner, F. J.↗
NASA NTRS1988

The nature and origin of interstellar diamond

The C-delta component of the Allende meteorite is a microscopic diamond some of whose properties seem in conflict with those expected of diamond. High spatial resolution analytical data are presented here which may help explain such results. Surface and interfacial carbon atoms in the component, which may comprise as much as 25 percent of the total, impart an 'amorphous' character to some spectral data. These data support the proposed high-pressure conversion of amorphous carbon and graphite into diamonds due to grain-grain collisions in the ISM, although a low-pressure mechanism of formation cannot be ruled out.

Blake, David F.↗
NASA NTRS1989

Type of silicate feature in oxygen rich stellar envelopes

In many astronomical studies, the emissivity function derived from the Trapezium emission feature has been used. A statistical study of a large sample of objects is described that deals with the applicability of this function (hereafter TR). For comparison, another emissivity function derived for lunar silicate (LS) sample 14321 was used which has a maximum at 10.2 microns instead of at 9.7 microns as for TR. The IRAS low resolution spectra sources classified as 7n was used which has a silicate absorption feature without any atomic line emission. Most of these sources are likely to be oxygen rich stellar envelopes or hotspots in molecular clouds. The central source as assumed to emit a Plankian spectrum characterized by a temperature (t) and an absorbing envelope with an emissivity dependence of type TR or LS. Values of t and tau, the absorption optical depth were obtained by minimizing chi(exp 2) between the observed and fitted spectra in the 7 to 13 micron range. Values of reduced chi(exp 2) were obtained by taking the noise listed in the LRS Catalog as standard deviation. The tau values obtained correspond to 9.7 microns for TR and 10.2 for LS.

Iyengar, K. V. K.↗
NASA NTRS1994

The spectrum of the variable planetary nebula IC 4997

The compact, dusty, presumably young planetary nebula (PN) IC 4997 has been studied extensively since the variability of the lambda 4363/lambda 4340 ratio was established in 1956. Since 1938, other nebular lines have shown changes. IC 4997 is also unique because of the great density range revealed by its spectrum which goes in excitation from Mg I to (Ar IV). We present a detailed listing of spectral lines from 360 to 1005 nm. The diagnostic diagram shows that the spectrum can be interpreted only in terms of strata with a huge density gamut. Essential spectral features can be reproduced approximately by a model consisting of a geometrically thin shell of density around 10(exp 7) atoms cm(exp -3), surrounded by a much larger shell with a density of about 10(exp 4) atoms cm(exp -3). The actual, certainly more complex structure can be evaluated only when high resolution spatial imaging is at hand. The usual method of getting abundances from N(ion)/N(H(+)) and ionization correction factors (ICFs) cannot be applied here. It is argued that a reasonable theoretical model that represents the spectrum provides a valid initial approximation to nebular abundances. We propose that the chemical composition of IC 4997 does not differ greatly from that of the Sun. The finally adopted model suggests that the ejection of the material destined to form the inner shell occurred between 1900 and 1960, but observational evidence of such an ejection event is lacking. Perhaps the shell was accelerated. A need for further study is emphasized, especially the role of dust which appears to contribute 2% of the total mass. More attention to this object is recommended. An accurate measurement of its distance is especially desirable.

Hyung, Siek↗
NASA NTRS1995

A high spectral resolution VLA search for H I absorption towards A496, A1795, and A2584

In this paper, we present the results of a Very Large Array (VLA) search for H I absorption with high spectral resolution (1.6 km/s) towards A496, A1795, A2584, and A2597. These observations are well matched to the properties of cold, optically thick H I clouds, where the line width is given by the width of an individual cloud rather than the dispersion in an ensemble of clouds. We do not detect any H I absorption with narrow linewidths in these clusters. Our limits mainly apply to clouds which are larger than a few tenths parsec-i.e., if the clouds are much smaller than the background radio source and have a low covering factor in velocity space, they could still escape detection. The estimated limits on column density (for clouds in this regime of parameter space) are 2-3 orders of magnitude less than the 10(exp 21)/sq cm required to explain the x-ray absorption seen in some cooling flow clusters. The combination of our high spectral resolution H I absorption searches with the existing lower spectral resolution H I absorption searches and the searches for H I emission makes it unlikely that atomic hydrogen is the dominant component of the cold x-ray absorbing gas in the inter-cloud medium (ICM).

O'Dea, Christopher P.↗
NASA NTRS2005

Search for Effects of an Electrostatic Potential on Clocks in the Frame of Reference of a Charged Particle

Results of experiments to confirm a theory that links classical electromagnetism with the geometry of spacetime are described. The theory, based on the introduction of a Torsion tensor into Einstein s equations and following the approach of Schroedinger, predicts effects on clocks attached to charged particles, subject to intense electric fields, analogous to the effects on clocks in a gravitational field. We show that in order to interpret this theory, one must re-interpret all clock changes, both gravitational and electromagnetic, as arising from changes in potential energy and not merely potential. The clock is provided naturally by proton spins in hydrogen atoms subject to Nuclear Magnetic Resonance trials. No frequency change of clocks was observed to a resolution of 6310(exp -9). A new "Clock Principle" was postulated to explain the null result. There are two possible implications of the experiments: (a) The Clock Principle is invalid and, in fact, no metric theory incorporating electromagnetism is possible; (b) The Clock Principle is valid and it follows that a negative rest mass cannot exist.

Ringermacher, Harry I.↗
DOE OSTI2024

Infrared nanoimaging and nanospectroscopy of electrochemical energy storage materials and interfaces

Electrochemical interfaces are central to the function and performance of energy storage devices. Thus, the development of new methods to characterize these interfaces, in conjunction with electrochemical performance, is essential for bridging the existing knowledge gaps and accelerating the development of energy storage technologies. Of particular need is the ability to characterize surfaces or interfaces in a non-destructive way with adequate resolution to discern individual structural and chemical building blocks. To this end, sub-diffraction-limit low-energy infrared optical probes that exploit near-field interactions within atomic force microscopy platforms, such as pseudoheterodyne nanoimaging, photothermal nanoimaging and nanospectroscopy, and nanoscale Fourier transform infrared spectroscopy, are all powerful emerging techniques. These are capable of non-destructive surface probing and imaging at nanometer resolution. This review outlines recent efforts to characterize ex situ, in situ, and operando electrode materials and electrochemical interfaces in rechargeable batteries with these advanced infrared near-field probes.

25 ENERGY STORAGE↗