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NASA NTRS1984

Pioneer 10 and Voyager Observations of the Interstellar Medium in Scattered Emission of the H 584 A and H Lya 1216 A Lines

The combination of Pioneer photometric and Voyager spectrometric observations of EUV interstellar-interplanetary emissions in the region beyond 5 AU have been applied to a determination of atomic hydrogen and helium densities. These density estimates obtained from direct measurement of scattered radiation depend on absolute calibration of the instruments, in the same way as other earlier determinations based on the same method. However. we have combined the spacecraft data with daily full sun averages of the H Lya 1216 A line obtained by the Solar Mesospheric Explorer (SME) satellite, to obtain a measure of atomic hydrogen density independent of instrument absolute calibration. The method depends on observations of long and short term temporal variability of the solar line over a 1 year period, and the fact that the ISM is optically thick. The density estimates from preliminary work on these observations are (H) = 0.12 cm(sup 2) and (He) = .016 cm(sup 2), giving a density ratio close to the cosmic abundance value, in contrast to some earlier results indicating a depletion of atomic hydrogen. We have obtained estimates of galactic background emissions in the signals of both spacecraft.

Shemansky, D. E.↗

NASA NTRS2020

Global-scale distribution of ozone in the remote troposphere from ATom and HIPPO airborne field missions

Ozone is a key constituent of the troposphere, where it drives photochemical processes, impacts air quality, and acts as a climate forcer. Large-scale in situ observations of ozone commensurate with the grid resolution of current Earth system models are necessary to validate model outputs and satellite retrievals. In this paper, we examine measurements from the Atmospheric Tomography (ATom; four deployments in 2016–2018) and the HIAPER Pole-to-Pole Observations (HIPPO; five deployments in 2009–2011) experiments, two global-scale airborne campaigns covering the Pacific and Atlantic basins. ATom and HIPPO represent the first global-scale, vertically resolved measurements of O3 distributions throughout the troposphere, with HIPPO sampling the atmosphere over the Pacific and ATom sampling both the Pacific and Atlantic. Given the relatively limited temporal resolution of these two campaigns, we first compare ATom and HIPPO ozone data to longer-term observational records to establish the representativeness of our dataset. We show that these two airborne campaigns captured on average 53 %, 54 %, and 38 % of the ozone variability in the marine boundary layer, free troposphere, and upper troposphere–lower stratosphere (UTLS), respectively, at nine well-established ozonesonde sites. Additionally, ATom captured the most frequent ozone concentrations measured by regular commercial aircraft flights in the northern Atlantic UTLS. We then use the repeated vertical profiles from these two campaigns to confirm and extend the existing knowledge of tropospheric ozone spatial and vertical distributions throughout the remote troposphere. We highlight a clear hemispheric gradient, with greater ozone in the Northern Hemisphere, consistent with greater precursor emissions and consistent with previous modeling and satellite studies. We also show that the ozone distribution below 8 km was similar in the extra-tropics of the Atlantic and Pacific basins, likely due to zonal circulation patterns. However, twice as much ozone was found in the tropical Atlantic as in the tropical Pacific, due to well-documented dynamical patterns transporting continental air masses over the Atlantic. Finally, we show that the seasonal variability of tropospheric ozone over the Pacific and the Atlantic basins is driven year-round by transported continental plumes and photochemistry, and the vertical distribution is driven by photochemistry and mixing with stratospheric air. This new dataset provides additional constraints for global climate and chemistry models to improve our understanding of both ozone production and loss processes in remote regions, as well as the influence of anthropogenic emissions on baseline ozone.

ATom, aircraft profiles, Atlantic pollution, ozone↗

DOE OSTI2024

Local atomic and magnetic structure of multiferroic (Sr,Ba)⁢(Mn,Ti)⁢O 3

Here, we present a detailed study of the local atomic and magnetic structure of the type-I multiferroic perovskite system (Sr,Ba)(Mn,Ti)O 3 using x-ray and neutron pair distribution function (PDF) analysis, polarized neutron scattering, and muon spin relaxation (μSR) techniques. The atomic PDF analysis reveals widespread nanoscale tetragonal distortions of the crystal structure even in the paraelectric phase with average cubic symmetry, corresponding to incipient ferroelectricity in the local structure. Magnetic PDF analysis, polarized neutron scattering, and μSR likewise confirm the presence of short-range antiferromagnetic correlations in the paramagnetic state, which grow in magnitude as the temperature approaches the magnetic transition. We show that these short-range magnetic correlations coincide with a reduction of the tetragonal (i.e., ferroelectric) distortion in the average structure, suggesting that short-range magnetism can play an important role in magnetoelectric and/or magnetostructural phenomena even without genuine long-range magnetic order. The reduction of the tetragonal distortion scales linearly with the local magnetic order parameter, pointing to spontaneous linear magnetoelectric coupling in this system. These findings provide greater insight into the multiferroic properties of (Sr,Ba)(Mn,Ti)O 3 and demonstrate the importance of investigating the local atomic and magnetic structure to gain a deeper understanding of the intertwined degrees of freedom in multiferroics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2026

Qualifying LaBr3:Ce+Sr detector performance for the Mu2e experiment at Fermilab Using the ELBE Accelerator

A LaBr3:Ce+Sr detector will be used to measure the stopped muon captures at the Mu2e experiment at Fermilab. It has been benchmarked in a test beam experiment performed at the ELBE electron accelerator located at the Helmholtz-Zentrum Dresden-Rossendorf, Germany. ELBE’s pulsed bremsstrahlung beam line was set to deliver an average γ -ray energy of between 4–5 MeV. The detector response was mapped to match Mu2e beam conditions, including rates up to 1 Mcps, energy flux, and time structure. A radioactive calibration source was used to mimic the characteristic 1808.7 keV γ -ray, emitted during the atomic muon nuclear capture in the Mu2e aluminum stopping target. The detector energy resolution was measured as a function of the average energy flux: up to 1 TeV/s for 0.34 s, the steady-operation beam-on time and up to 4 TeV/s for 5 ms to get a conservative estimate of the effect of high intensity Mu2e beam fluctuations. The PMT gain variation as a function of the beam spill length and average intensity has been parametrized and corrected for. When a PMT gain correction corresponding to the average beam-spill intensity is applied, the residual effect of beam intensity fluctuations around the average degrades the energy resolution, σ E γ /E γ , at 1808.7 keV from 0.66% to 0.83%.

Huang, Shihua [Purdue U., West Lafayette]↗

DOE OSTI2022

High-performance LiNi 0.8 Mn 0.1 Co 0.1 O 2 cathode by nanoscale lithium sulfide coating via atomic layer deposition

The commercialization of nickel-rich LiNi 0.8 Mn 0.1 Co 0.1 O 2 (NMC811) has been hindered by its continuous loss of practical capacity and reduction in average working voltage. To address these issues, surface modification has been well-recognized as an effective strategy. Different from the coatings reported in literature to date, in this work, we for the first time report a sulfide coating, amorphous Li 2 S via atomic layer deposition (ALD). Here, our study revealed that the conformal nano-Li 2 S coating shows exceptional protection over the NMC811 cathodes, accounting for the dramatically boosted capacity retention from ~11.6% to ~71% and the evidently mitigated voltage reduction from 0.39 to 0.18 V after 500 charge–discharge cycles. In addition, the Li 2 S coating remarkably improved the rate capability of the NMC811 cathode. Our investigation further revealed that all these beneficial effects of the ALD-deposited nano-Li 2 S coating lie in the following aspects: (i) maintain the mechanical integrity of the NMC811 electrode; (ii) stabilize the NMC electrode/electrolyte interface; and (iii) suppress the irreversible phase transition of NMC structure. Particularly, this study also has revealed that the nano-Li 2 S coating has played some unique role not associated with traditional non-sulfide coatings such as oxides. In this regard, we disclosed that the Li 2 S layer has reacted with the released O 2 from the NMC lattices, and thereby has dramatically mitigated electrolyte oxidation and electrode corrosion. Thus, this study is significant and has demonstrated that sulfides may be an important class of coating materials to tackle the issues of NMCs and other layered cathodes in lithium batteries.

36 MATERIALS SCIENCE↗

NASA NTRS1977

Investigation of possible lower hybrid emission from the NASA Lewis Bumpy Torus plasma

Radio frequency emission detected near the lower hybrid frequency of the NASA Lewis Bumpy Torus plasma is studied, using a simple detection system that consists of a spectrum analyzer and a 50-ohm miniature co-axial antenna concentrically located in a re-entrant quartz tube. The frequency shift of a broad emission peak is monitored as a function of the background pressure, electrode voltage, and the strength of the dc magnetic field. Simultaneous measurements of the average plasma density are made with a polarization diplexing microwave interferometer. Information from the experiment is discussed with particular reference to the role of atomic or molecular species of deuterium in the emissions, the strength of the dc magnetic field in the emitting region, the geometric location of the emitting region of the plasma, the lower hybrid plasma density as compared with the average plasma density, and the relation of the ion spoke geometry to the lower hybrid emission.

Mallavarpu, R.↗

DOE OSTI2020

Microstructure–Property Correlation in a Laser Powder Bed Fusion Processed High-Strength AF-9628 Steel

Laser powder bed fusion additive manufacturing (LPBF-AM) of a low-alloy, high-performance AF-9628 steel results in exceptionally high strength and good ductility. The reasons for such mechanical properties are investigated through detailed microscopy performed at several length scales. Thus, the characterization of melt pool, porosity, grain morphology, phases, and dislocations is performed in the as-printed material. The as-printed material consists of only 0.004 vol% of uniformly distributed porosity, single-phase martensitic laths with an average lath size of ≈2.5 μm, the absence of carbides indicating interstitial trapping of C atom, and high dislocation density in the martensitic laths. Experimental data through microscopy are then fed in analytical models for calculating strengthening contributions from various strengthening mechanisms. Calculated yield strength agrees well with experimentally determined value, and therefore, activation of various strengthening mechanisms is established in as-printed AF-9628.

36 MATERIALS SCIENCE↗

DOE OSTI2020

27 AlNMR chemical shift of Al(OH)$^{-}_{4}$ calculated from first principles: Assessment of error cancellation in chemically distinct reference and target systems

Predicting accurate nuclear magnetic resonance chemical shieldings relies upon cancellation of different types of errors between the theoretically calculated shielding constant of the analyte of interest and the reference. Often, the intrinsic error in computed shieldings due to basis sets, approximations in the Hamiltonian, description of the wave function, and dynamic effects is nearly identical between the analyte and reference, yet if the electronic structure or sensitivity to local environment differs dramatically, this cannot be taken for granted. Detailed prior work has examined the octahedral trivalent cation Al(H 2 O)$^{3+}_{6}$, accounting for ab initio intrinsic errors. However, the use of this species as a reference for the chemically distinct tetrahedral anion Al(OH)$^{-}_{4}$ requires an understanding of how these errors cancel, in order to define the limits of accurately predicting 27 Al chemical shielding in Al(OH)$^{-}_{4}$. In this work, we estimate the absolute shielding of the 27 Al nucleus in Al(OH)$^{-}_{4}$ at the coupled cluster level (515.1± 5.3 ppm). Shielding sensitivity to the choice of method approximation and atomic basis sets used has been evaluated. Solvent and thermal effects are assessed through ensemble averaging techniques using ab-initio molecular dynamics. The contribution of each type of intrinsic error is assessed for the Al(H 2 O)$^{3+}_{6}$ and Al(OH)$^{-}_{4}$ ions, revealing significant differences that fundamentally hamper the ability to accurately calculate the 27 Al chemical shift of Al(OH)$^{-}_{4}$ from first principles.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1972

Hydrogen/helium ratio in stars

The ratio of hydrogen-to-helium in main sequence B stars is analyzed. An attempt was made to match each observed neutral helium profile with a theoretically calculated profile. Observational results show an overall average of helium-to-hydrogen is roughly between 10% and 11% by number of atoms. Detailed results of each star examined are given in graphs. Theoretical and calculated results are in reasonable agreement.

Leckrone, D.↗

NASA NTRS1975

Copernicus observations of interstellar absorption at Lyman alpha

Column densities NH of atomic hydrogen have been derived for 40 OB stars from spectral scans at Lyman alpha obtained by the Copernicus (OAO-3) satellite. The stars are all between 60 and 1100 pc away with a range of mean densities n sub H of 0.01 to 2.5 atoms cm-3. The gas to color-excess ratio in clouds varies from 1 to 3 times the mean outside of clouds. The presence of molecular hydrogen correlates with E(B-V), but the best tracer for H2 is atomic hydrogen. The mean density of the gas for all 40 stars is much smaller than the mean of 0.7 atoms cm-3 obtained from 21-cm observations, because the brightest stars with less than average amounts of matter in the line of sight were selected for observation.

Bohlin, R. C.↗

NASA NTRS1979

Energy dependence of the trapping of uranium atoms by aluminum oxide surfaces

The energy dependence of the trapping probability for sputtered U-235 atoms striking an oxidized aluminum collector surface at energies between 1 eV and 184 eV was measured. At the lowest energies, approximately 10% of the uranium atoms are not trapped, while above 10 eV essentially all of them stick. Trapping probabilities averaged over the sputtered energy distribution for uranium incident on gold and mica are also presented.

Librecht, K. G.↗

NASA NTRS1992

Equilibrium temperature of laser cooled atoms in squeezed vacuum

It is shown that by squeezing the vacuum fluctuations of the electromagnetic field the quantum fluctuations of the optical forces exerted on laser cooled two-level atoms, can be dramatically modified. Under certain conditions, this modification in concert with the enhanced average forces can lead to equilibrium temperatures below those attained under normal vacuum fluctuations.

Shevy, Y.↗

NASA NTRS1994

Stability of the Martian atmosphere: Is heterogeneous catalysis essential?

A comprehensive homogeneous gas phase photochemical model is developed to study the problem of stability of the Martian atmosphere. The one-dimensional model extends from the ground up to 220 km, passing through the homopause at 125 km. The model thus couples the lower (neutral) atmosphere to the ionosphere above which provides significant downward flux of carbon monoxide and oxygen atoms. It is concluded on the basic of currently accepted values for globally and seasonally averaged water vapor abundance, dust opacity and the middle atmospheric eddy mixing coefficient, as well as the relevant laboratory data (particularly the temperature dependence of CO2 absorption cross section and the rate constant for CO+OH reaction), that the rate of re-formation of carbon dioxide exceeds its photolytic destruction rate by about 40%. Furthermore, it is found that this result is virtually independent of the choice of eddy mixing coefficient, unless its value in the middle atmosphere exceeds 10(exp 8) sq cm/sec or is far smaller than 10(exp 5)sq cm/sec, or the dust opacity, unless it exceeds unity, or the water vapor mixing ratio at the surface, unless it is far smaller (less than or = 1 ppm) or far greater (greater than or = 500 ppm) than the average value (approximately 150 ppm). Since none of these extremes represent globally and seasonally averaged conditions on Mars, we propose that the present model requires existence of a mechanism to throttle down the recycling rate of carbon dioxide on Mars. Therefore, it is suggested that a heterogeneous process which provides a sink to the species that participate in the recycling of CO2, i.e., H2O, H2O2, OH, CO or O, in particular, may be necessary to bring about the balance between the CO2 recycling rate and its photolytic destruction rate. Aerosols of dust or ice (pure or doped water or carbon dioxide ice present in the atmosphere of Mars) can provide the appropriate adsorption sites for the above heterogeneous process. Despite our conclusion that some heterogeneous process may be needed, it is important to recognize that one-dimensional models can only provide first-order results which, most likely, represent globally and seasonally averaged conditions. However, it is only after actual temporal, latitudinal and longitudinal variations of relevant atmospheric parameters are included in the model that one can determine fuly whether the problem of atmospheric stabiltiy still continues to persist and whether some heterogeneous process is required to correct it.

Atreya, Sushil K.↗

NASA NTRS2005

The Far-Infrared Emission Line and Continuum Spectrum of the Seyfert Galaxy NGC 1068

We report on the analysis of the first complete far-infrared spectrum (43-197 microns) of the Seyfert 2 galaxy NGC 1068 as observed with the Long Wavelength Spectrometer (LWS) onboard the Infrared Space Observatory (ISO). In addition to the 7 expected ionic fine structure emission lines, the OH rotational lines at 79, 119 and 163 microns were all detected in emission, which is unique among galaxies with full LWS spectra, where the 119 micron line, where detected, is always in absorption. The observed line intensities were modelled together with IS0 Short Wavelength Spectrometer (SWS) and optical and ultraviolet line intensities from the literature, considering two independent emission components: the AGN component and the starburst component in the circumnuclear ring of approximately 3kpc in size. Using the UV to mid-IR emission line spectrum to constrain the nuclear ionizing continuum, we have confirmed previous results: a canonical power-law ionizing spectrum is a poorer fit than one with a deep absorption trough, while the presence of a big blue bump is ruled out. Based on the instantaneous starburst age of 5 Myr constrained by the Br gamma equivalent width in the starburst ring, and starburst synthesis models of the mid- and far-infrared fine-structure line emission, a low ionization parameter (U=10(exp -3.5)) and low densities (n=100 cm (exp -3)) are derived. Combining the AGN and starburst components, we succeed in modeling the overall UV to far-IR atomic spectrum of SGC 1068, reproducing the line fluxes to within a factor 2.0 on average with a standard deviation of 1.4. The OH 119 micron emission indicates that the line is collisionally excited, and arises in a warm and dense region. The OH emission has been modeled using spherically symmetric, non-local, non-LTE radiative transfer models. The models indicate that the bulk of the emission arises from the nuclear region, although some extended contribution from the starburst is not ruled out. The OH abundance in the nuclear region is expected to be approximately 10(exp -5), characteristic of X-ray dominated regions.

Spinoglio, Luigi↗

NASA NTRS2013

Observation of Neutral Sodium Above Mercury During the Transit of November 8, 2006

We mapped the absorption of sunlight by sodium vapor in the exosphere of Mercury during the transit of Mercury on November 8, 2006, using the IBIS Interferometric BIdimensional Spectrometer at the Dunn Solar Telescope operated by the National Solar Observatory at Sunspot, New Mexico. The measurements were reduced to line-of-sight equivalent widths for absorption at the sodium D2 line around the shadow of Mercury. The sodium absorption fell off exponentially with altitude up to about 600 km. However there were regions around north and south polar-regions where relatively uniform sodium absorptions extended above 1000 km. We corrected the 0-600 km altitude profiles for seeing blur using the measured point spread function. Analysis of the corrected altitude distributions yielded surface densities, zenith column densities, temperatures and scale heights for sodium all around the planet. Sodium absorption on the dawn side equatorial terminator was less than on the dusk side, different from previous observations of the relative absorption levels. We also determined Earthward velocities for sodium atoms, and line widths for the absorptions. Earthward velocities resulting from radiation pressure on sodium averaged 0.8 km/s, smaller than a prediction of 1.5 km/s. Most line widths were in the range of 20 mA after correction for instrumental broadening, corresponding to temperatures in the range of 1000 K.

Spectrometer↗

DOE OSTI2021

Reproducibility of protein x-ray diffuse scattering and potential utility for modeling atomic displacement parameters

Protein structure and dynamics can be probed using x-ray crystallography. Whereas the Bragg peaks are only sensitive to the average unit-cell electron density, the signal between the Bragg peaks—diffuse scattering—is sensitive to spatial correlations in electron-density variations. Although diffuse scattering contains valuable information about protein dynamics, the diffuse signal is more difficult to isolate from the background compared to the Bragg signal, and the reproducibility of diffuse signal is not yet well understood. We present a systematic study of the reproducibility of diffuse scattering from isocyanide hydratase in three different protein forms. Both replicate diffuse datasets and datasets obtained from different mutants were similar in pairwise comparisons (Pearson correlation coefficient ≥0.8). The data were processed in a manner inspired by previously published methods using custom software with modular design, enabling us to perform an analysis of various data processing choices to determine how to obtain the highest quality data as assessed using unbiased measures of symmetry and reproducibility. The diffuse data were then used to characterize atomic mobility using a liquid-like motions (LLM) model. This characterization was able to discriminate between distinct anisotropic atomic displacement parameter (ADP) models arising from different anisotropic scaling choices that agreed comparably with the Bragg data. Our results emphasize the importance of data reproducibility as a model-free measure of diffuse data quality, illustrate the ability of LLM analysis of diffuse scattering to select among alternative ADP models, and offer insights into the design of successful diffuse scattering experiments.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS2011

The Cosmic-Ray and Gas Content of the Cygnus Region as Measured in Gamma Rays by the Fermi Large Area Telescope

Context. The Cygnus region hosts a giant molecular-cloud complex which actively forms massive stars. Interactions of cosmic rays with interstellar gas and radiation fields make it shine at y-ray energies. Several gamma-ray pulsars and other energetic sources are seen in this direction. Aims. In this paper we analyse the gamma-ray emission measured by the Fermi Large Area Telescope in the energy range from 100 Me V to 100 Ge V in order to probe the gas and cosmic-ray content over the scale of the whole Cygnus complex. The gamma-ray emission on the scale of the central massive stellar clusters and from individual sources is addressed elsewhere. Methods. The signal from bright pulsars is largely reduced by selecting photons in their off-pulse phase intervals. We compare the diffuse gamma-ray emission with interstellar gas maps derived from radio/mm-wave lines and visual extinction data. and a global model of the region, including other pulsars and gamma-ray sources, is sought. Results. The integral H I emissivity above 100 MeV averaged over the whole Cygnus complex amounts to 12.06 +/- 0.11 (stat.) (+0.15 -0.84) (syst.J] x 10(exp -26) photons /s / sr / H-atom, where the systematic error is dominated by the uncertainty on the H I opacity to calculate its column densities. The integral emissivity and its spectral energy distribution are both consistent within the systematics with LAT measurements in the interstellar space near the solar system. The average X(sub co) N(H2)/W(sub co) ratio is found to be [1.68 +/- 0.05 (stat.) (H I opacity)] x 1020 molecules cm-2 (K km/s /r, consistent with other LAT measurements in the Local Arm. We detect significant gamma-ray emission from dark neutral gas for a mass corresponding to approx 40% of that traced by CO. The total interstellar mass in the Cygnus complex inferred from its gamma-ray emission amounts to 8(+5 -1) x 10(exp 6) Solar M at a distance of 1.4 kpc. Conclusions. Despite the conspicuous star formation activity and large masses of the interstellar clouds, the cosmic-ray population in the Cygnus complex averaged over a few hundred parsecs is similar to that of the local interstellar space.

Ackermann, M.↗

NASA NTRS1991

Linear ion trap based atomic frequency standard

In order to develop a trapped ion-based fieldable frequency standard with stability 1 x 10 to the -13th/sq rt tau for averaging times tau greater than 10,000 s, a hybrid RF/DC linear ion trap was developed which permits storage of large numbers of ions with reduced susceptibility to the second-order Doppler effect caused by the RF confining fields. The authors have confined Hg-199(+) ions in this trap and have measured very high Q transitions with good SNRs. In preliminary measurements they obtained stabilities of 1.6 x 10 to the -13th/sq rt tau (tau between 50 and 800 s) with a 160-mHz wide atomic resonance linewidth and a signal-to-noise ratio of 40 for each measurement cycle. Atomic resonance lines as narrow as 30 mHz on the 40.5-GHz clock transition have been measured with no appreciable reduction in the ion signal. A stability of 7 x 10 to the -14th/sq rt tau is made possible by the signal-to-noise and line Q of this measured transition. Analysis of fundamental sources of frequency instability indicates that a long-term stability of 2 x 10 to the -16th is feasible for this device with existing technology for tau = 10 to the 6th s or more.

Prestage, John D.↗