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At least 1,369 records · Page 76
All sourcesNASA NTRSDOE OSTI
NASA NTRS2003

Molybdenum Isotopic Composition of Iron Meteorites, Chondrites and Refractory Inclusions

Recent Mo isotopic studies of meteorites reported evidence for differences in isotopic compositions for whole rocks of some primitive and differentiated meteorites relative to terrestrial materials. Enrichments of r- and p-process isotopes of up to 3-4 units (e unit = parts in 10(exp 4) over s-process dominated isotopes are the most prominent features. Certain types of presolar grains show large enrichments in s-process isotopes, however, it was concluded on grounds of mass balance that incomplete digestion of such grains cannot explain the enrichments of r- and p-process isotopes in whole rocks of primitive chondrites. If the reported variability in r- and p-process isotope enrichments reflects the true isotopic characteristics of the whole rocks, the implications are quite profound. It would suggest the presence of large scale Mo isotopic heterogeneity within the solar accretion disk with likely collateral effects for other elements. However, such effects were not found for Ru isotopes, nor for Zr isotopes. Another recent Mo isotopic study by multi collector ICP-MS could not confirm the reported deviations in Allende, Murchison or iron meteorites. Here, we present new results for the Mo isotopic composition of iron meteorites, chondrites and CAIs obtained by negative thermal ionization mass spectrometry (NTIMS). We discuss analytical aspects and the homogeneity of Mo isotopic compositions in solar system materials.

Becker, H.↗
NASA NTRS2016

Air Traffic Controller Acceptability of Unmanned Aircraft System Detect-and-Avoid Thresholds

A human-in-the-loop experiment was conducted with 15 retired air traffic controllers to investigate two research questions: (a) what procedures are appropriate for the use of unmanned aircraft system (UAS) detect-and-avoid systems, and (b) how long in advance of a predicted close encounter should pilots request or execute a separation maneuver. The controller participants managed a busy Oakland air route traffic control sector with mixed commercial/general aviation and manned/UAS traffic, providing separation services, miles-in-trail restrictions and issuing traffic advisories. Controllers filled out post-scenario and post-simulation questionnaires, and metrics were collected on the acceptability of procedural options and temporal thresholds. The states of aircraft were also recorded when controllers issued traffic advisories. Subjective feedback indicated a strong preference for pilots to request maneuvers to remain well clear from intruder aircraft rather than deviate from their IFR clearance. Controllers also reported that maneuvering at 120 seconds until closest point of approach (CPA) was too early; maneuvers executed with less than 90 seconds until CPA were more acceptable. The magnitudes of the requested maneuvers were frequently judged to be too large, indicating a possible discrepancy between the quantitative UAS well clear standard and the one employed subjectively by manned pilots. The ranges between pairs of aircraft and the times to CPA at which traffic advisories were issued were used to construct empirical probability distributions of those metrics. Given these distributions, we propose that UAS pilots wait until an intruder aircraft is approximately 80 seconds to CPA or 6 nmi away before requesting a maneuver, and maneuver immediately if the intruder is within 60 seconds and 4 nmi. These thresholds should make the use of UAS detect and avoid systems compatible with current airspace procedures and controller expectations.

unmanned aircraft systems↗
DOE OSTI2017

Multifield stochastic particle production: beyond a maximum entropy ansatz

In this work, we explore non-adiabatic particle production for N f coupled scalar fields in a time-dependent background with stochastically varying effective masses, cross-couplings and intervals between interactions. Under the assumption of weak scattering per interaction, we provide a framework for calculating the typical particle production rates after a large number of interactions. After setting up the framework, for analytic tractability, we consider interactions (effective masses and cross couplings) characterized by series of Dirac-delta functions in time with amplitudes and locations drawn from different distributions. Without assuming that the fields are statistically equivalent, we present closed form results (up to quadratures) for the asymptotic particle production rates for the N f =1 and N f =2 cases. We also present results for the general N f >2 case, but with more restrictive assumptions. We find agreement between our analytic results and direct numerical calculations of the total occupation number of the produced particles, with departures that can be explained in terms of violation of our assumptions. We elucidate the precise connection between the maximum entropy ansatz (MEA) used in Amin & Baumann (2015) and the underlying statistical distribution of the self and cross couplings. We provide and justify a simple to use (MEA-inspired) expression for the particle production rate, which agrees with our more detailed treatment when the parameters characterizing the effective mass and cross-couplings between fields are all comparable to each other. However, deviations are seen when some parameters differ significantly from others. We show that such deviations become negligible for a broad range of parameters when N f >> 1.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Do Practical Standard Coupled Cluster Calculations Agree Better than Kohn–Sham Calculations with Currently Available Functionals When Compared to the Best Available Experimental Data for Dissociation Energies of Bonds to 3d Transition Metals?

Coupled-cluster (CC) methods have been extensively used as the high-level approach in quantum electronic structure theory to predict various properties of molecules when experimental results are unavailable. It is often assumed that CC methods, if they include at least up to connected-triple-excitation quasiperturbative corrections to a full treatment of single and double excitations (in particular, CCSD(T)), and a very large basis set, are more accurate than Kohn–Sham (KS) density functional theory (DFT). In the present work, we tested and compared the performance of standard CC and KS methods on bond energy calculations of 20 3d transition metal-containing diatomic molecules against the most reliable experimental data available, as collected in a database called 3dMLBE20. It is found that, although the CCSD(T) and higher levels CC methods have mean unsigned deviations from experiment that are smaller than most exchange-correlation functionals for metal–ligand bond energies of transition metals, the improvement is less than one standard deviation of the mean unsigned deviation. Furthermore, on average, almost half of the 42 exchange-correlation functionals that we tested are closer to experiment than CCSD(T) with the same extended basis set for the same molecule. The results show that, when both relativistic and core–valence correlation effects are considered, even the very high-level (expensive) CC method with single, double, triple, and perturbative quadruple cluster operators, namely, CCSDT(2)Q, averaged over 20 bond energies, gives a mean unsigned deviation (MUD(20) = 4.7 kcal/mol when one correlates only valence, 3p, and 3s electrons of transition metals and only valence electrons of ligands, or 4.6 kcal/mol when one correlates all core electrons except for 1s shells of transition metals, S, and Cl); and that is similar to some good xc functionals (e.g., B97-1 (MUD(20) = 4.5 kcal/mol) and PW6B95 (MUD(20) = 4.9 kcal/mol)) when the same basis set is used. We found that, for both coupled cluster calculations and KS calculations, the T1 diagnostics correlate the errors better than either the M diagnostics or the B1 DFT-based diagnostics. The potential use of practical standard CC methods as a benchmark theory is further confounded by the finding that CC and DFT methods usually have different signs of the error. We conclude that the available experimental data do not provide a justification for using conventional single-reference CC theory calculations to validate or test xc functionals for systems involving 3d transition metals.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2019

Sensitivity of Atmospheric Rivers to Damping of Midlatitude Subseasonal Variability

Abstract We examine how atmospheric rivers (ARs) over the North Pacific basin respond to relaxation in midlatitudes in sets of reforecasts made with the Community Atmosphere Model using superparameterized convection. The study focuses on January–March 2015 with weekly staggered initial conditions and sea surface temperature prescribed. In one set of reforecasts, zonal and meridional winds, temperature, and specific humidity are relaxed within the midlatitude band 40–70°N and compared with a control set of reforecasts made without relaxation. Meteorological parameters are relaxed to the smooth seasonal evolution of the control simulations (the seasonal mean, trend, and parabolic fit), about which subseasonal deviations are damped. Relaxation has a systematic impact on the Pacific circulation and on different AR types. Damping subseasonal variability acts to anchor the West Pacific trough and deepen height anomalies at 40°N, as well as modify the total number and duration of AR events. Although largely offset by changes in the number of events, individual AR events with moisture originating from midlatitudes tend to have shorter lifetimes, while AR events with moisture from the tropics tend to last longer.

Swenson, Erik T.↗
DOE OSTI2025

Phase transitions and dimensional cross-over in layered confined solids

The nature of solid phases and cross-over of order–disorder phase transitions from two-dimensional (2D) layers to three-dimensional (3D) bulk in confined atomic systems remain largely unexplained. To this end, we consider noble gases and aluminum confined between graphene sheets at different pressures and temperatures. Using crystal structure search methods and molecular dynamics based on machine-learned potentials with quantum-mechanical accuracy, we identify structures of multilayer confined solids that deviate from simple close packing. Upon heating, we find that confined 2D monolayers melt according to the two-step continuous Kosterlitz–Thouless–Halperin–Nelson–Young theory. However, multilayer solids transition continuously into an intermediate layered-hexatic phase before melting discontinuously into an isotropic liquid. This intermediate phase persists at least up to 12 layers studied here. This change can be qualitatively understood based on the cross-over from 2D topological defects toward 3D ones during melting as the number of layers increases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Consistency relation and non-Gaussianity in a Galileon inflation

We study a particular Galileon inflation in the light of Planck2015 observational data in order to constraint the model parameter space. We study the spectrum of the primordial modes of the density perturbations by expanding the action up to the second order in perturbations. Then we pursue by expanding the action up to the third order and find the three point correlation functions to find the amplitude of the non-Gaussianity of the primordial perturbations in this setup. We study the amplitude of the non-Gaussianity both in equilateral and orthogonal configurations and test the model with recent observational data. Our analysis shows that for some ranges of the non-minimal coupling parameter, the model is consistent with observation and it is also possible to have large non-Gaussianity which would be observable by future improvements in experiments. Moreover, we obtain the tilt of the tensor power spectrum and test the standard inflationary consistency relation ( r = −8 n {sub T} ) against the latest bounds from the Planck2015 dataset. We find a slight deviation from the standard consistency relation in this setup. Nevertheless, such a deviation seems not to be sufficiently remarkable to be detected confidently.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

PRISM3D: a 3-D reference seismic model for Iberia and adjacent areas

SUMMARY We present PRISM3D, a 3-D reference seismic model of P- and S-wave velocities for Iberia and adjacent areas. PRISM3D results from the combination of the most up-to-date earth models available for the region. It extends horizontally from 15°W to 5°E in longitude, 34°N to 46°N in latitude and vertically from 3.5 km above to 200 km below sea level, and is modelled on a regular grid with 10 and 0.5 km of grid node spacing in the horizontal and vertical directions, respectively. It was designed using models inferred from local and teleseismic body-wave tomography, earthquake and ambient noise surface wave tomography, receiver function analysis and active source experiments. It includes two interfaces, namely the topography/bathymetry and the Mohorovičić (Moho) discontinuity. The Moho was modelled from previously published receiver function analysis and deep seismic sounding results. To that end we used a probabilistic surface reconstruction algorithm that allowed to extract the mean of the Moho depth surface along with its associated standard deviation, which provides a depth uncertainty estimate. The Moho depth model is in good agreement with previously published models, although it presents slightly sharper gardients in orogenic areas such as the Pyrenees or the Betic-Rif system. Crustal and mantle P- and S-wave wave speed grids were built separately on each side of the Moho depth surface by weighted average of existing models, thus allowing to realistically render the speed gradients across that interface. The associated weighted standard deviation was also calculated, which provides an uncertainty estimation on the average wave speed values at any point of the grid. At shallow depths (<10 km), low P and S wave speeds and high VP/VS are observed in offshore basins, while the Iberian Massif, which covers a large part of western Iberia, appears characterized by a rather flat Moho, higher than average VP and VS and low VP/VS. Conversely, the Betic-Rif system seems to be associated with low VP and VS, combined with high VP/VS in comparison to the rest of the study area. The most prominent feature of the mantle is the well known high wave speed anomaly related to the Alboran slab imaged in various mantle tomography studies. The consistency of PRISM3D with previous work is verified by comparing it with two recent studies, with which it shows a good general agreement.The impact of the new 3-D model is illustrated through a simple synthetic experiment, which shows that the lateral variations of the wave speed can produce traveltime differences ranging from –1.5 and 1.5 s for P waves and from –2.5 and 2.5 s for S waves at local to regional distances. Such values are far larger than phase picking uncertainties and would likely affect earthquake hypocentral parameter estimations. The new 3-D model thus provides a basis for regional studies including earthquake source studies, Earth structure investigations and geodynamic modelling of Iberia and its surroundings.

Arroucau, P.↗
DOE OSTI2025

Microstructure Scale Lithium-Ion Battery Modeling, Part IV: The Representativity of Microstructure Parameters and Electrochemical Response

Lithium-ion battery electrochemical models require an accurate description of the electrodes microstructures to be predictive, that can be achieved through nanoscale imaging. Such observations are however limited by their field of view (FOV), as they provide only a subset of the whole electrode volume that does not necessarily represent the whole electrode microstructure heterogeneity, and therefore can bias the analysis. A representativity analysis has been performed on the microstructure parameters and, in a novel way, on the full cell electrochemical response to evaluate the predictions representativeness, and thus relevance, of a microstructure scale electrochemical model. The microstructure parameter deviation propagations to the electrochemical response have been quantified for different charge rates. This defines a threshold for the microstructure parameters FOV for a desired maximum deviation of the electrochemical response. Electrochemical model shows cell representative section areas are increasing with C-rate, due to higher in-plane heterogeneities, indicating larger FOVs are required specifically for fast charge modeling. Representativity analysis determines a cell FOV of 144.4 × 154.4 μm 2 is large enough to establish a convergence on the representative section areas for low-intermediate C-rate (≤2.5 C), therefore positively concludes on the model representativeness for these rates, but is not large enough to conclude for higher rates.

25 ENERGY STORAGE↗
DOE OSTI2017

ALMA View of the Galactic Center Minispiral: Ionized Gas Flows around Sagittarius A{sup ∗}

We have observed the “Galactic center minispiral (GCMS)” in the H42α recombination line as a part of the first large-scale mosaic observation in the Sagittarius A complex using Atacama Millimeter/submillimeter Array (ALMA). We revealed the kinematics of the ionized gas streamers of the GCMS. We found that the ionized gas streamers of the Northern Arm (NA) and Eastern Arm (EA) in their outer regions somewhat deviate from the Keplerian orbits that were derived previously from the trajectories in the inner regions. In addition, we found that the streamer corresponding to the Bar of the GCMS has a Keplerian orbit with an eccentricity of e∼0.8, which is independent from the Keplerian orbits of the other streamers of the GCMS. We estimated the LTE electron temperature and electron density in the ionized gas streamers. We confirmed the previously claimed tendency that the electron temperatures increase toward Sgr A*. We found that the electron density in the NA and EA also increases with approaching Sgr A* without the lateral expansion of the gas streamers. This suggests that there is some external pressure around the GCMS. The ambient ionized gas may cause the confinement and/or the perturbation of the orbits. There is a good positional correlation between the protostar candidates detected by JVLA at 34 GHz and the ionized gas streamer, the Northeastern Arm, newly found by our H42α recombination line observation. This suggests that the candidates had formed in the streamer and they were brought to near Sgr A* as the streamer falls.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

An Evolving GeV Spectrum from Prompt to Afterglow: The Case of GRB 160509A

We present the high-energy emission properties of GRB 160509A, from its prompt mission to late afterglow phase. GRB 160509A contains two emission episodes: 0–40 s and 280–420 s after the burst onset (t{sub 0}). The relatively high fluence of GRB 160509A allows us to establish an evolving spectrum above 100 MeV. During the first emission episode, the >100 MeV spectrum is soft with Γ ≥ 3.0, which can be smoothly connected to keV energies with a Band function with or without a high-energy cutoff. The >100 MeV spectrum rapidly changes to a hard spectrum with Γ ≤ 1.5 after t{sub 0}+40 s. The existence of very energetic photons, e.g., a 52 GeV that arrives at t{sub 0}+77 s and a 29 GeV that arrives at t{sub 0}+70 ks, is hard to reconcile by the synchrotron emission from forward-shock electrons, but is likely due to an inverse-Compton (IC) mechanism (e.g., synchrotron self-Compton emission). A soft spectrum (Γ ∼ 2) between 300 and 1000 s after the burst onset is also found at a significance of about 2 standard deviations, which suggests a different emission mechanism at work for this short period of time. GRB 160509A represents the latest example where IC emission has to be taken into account in explaining the afterglow GeV emission, which had been suggested long before the launch of the Fermi Large Area Telescope.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1982

H0, q0 and the local velocity field

An attempt is made to find a systematic deviation from linearity for distances that are under the control of the Virgo cluster, and to determine the value of the mean random motion about the systematic flow, in order to improve the measurement of the Hubble and the deceleration constants. The velocity-distance relation for large and intermediate distances is studied, and type I supernovae are calibrated relatively as distance indicators and absolutely to obtain a new value for the Hubble constant. Methods of determining the deceleration constant are assessed, including determination from direct measurement, mean luminosity density, virgocentric motion, and the time scale test. The very local velocity field is investigated, and a solution is preferred with a random peculiar radial velocity of very nearby field galaxies of 90-100 km/s, and a Virgocentric motion of the local group of 220 km/s, leading to an underlying expansion rate of 55, in satisfactory agreement with the global value.

Sandage, A.↗
NASA NTRS1984

Solar Terrestrial Influences on the D Region as Shown by the Level of Atmospheric Radio Noise

Measurements of the integrated atmospheric radio noise field strength at 27 kHz, used here, were made from 1965 to 1975 at Uppsala, Kuhlungsborn, and Prague-Panska Ves. The large scale meteorological situation was considered by comparing solar disturbed and undisturbed periods under similar weather situations. In order to show the effects of the precipitating high energy particle (HEP) flux and of the Forbush decrease on the noise level between pairs of stations were computed as deviations from the monthly median. Delta E (dB), day by day for all six periods was studied. The correlation coefficients for noon as well as for night values were computed. The correlation coefficients were compared with those for solar undisturbed periods.

Satori, G.↗
NASA NTRS1995

Coronal synoptic temperature maps derived from the Fe XIV/Fe X intensity ratio

The large-scale temperature structure of the low corona is investigated using synoptic temperature maps, derived from the intensity ratio of the green (Fe XIV) and red (Fe X) coronal lines as observed at the National Solar Observatory/Sacramento Peak. This intensity ratio is sensitive to coronal plasma with temperatures in the range of 1-2 MK. The synoptic maps indicate an association between high coronal temperature and the large-scale magnetic field. A comparison with WSO 'source surface' synoptic maps shows that especially when the heliospheric current sheet is stable over several rotations, the large-scale high-temperature features follow the current sheet remarkably well. For recent Carrington rotations temperature maps have been constructed for various heights between 1.15 and 1.45 solar radii. For these maps the correspondence with the current sheet (calculated at 2.5 solar radii) improves with height. Deviations between temperature structure and magnetic structure appears to be largest when the magnetic structure changes rapidly from rotation to rotation.

Hick, P.↗
NASA NTRS1995

The G2(B3LYP/MP2/CC) Approach: A Modification of the G2(MP2) Approach and a Comparison with B3LYP Results

The quadratic configuration interaction calculation in the G2(MP2) approach is replaced by a coupled-cluster singles and doubles calculation including a perturbational estimate of the triples excitations. In addition, the SCF and MP2 geometry optimizations and SCF frequency calculation in the G2(MP2) approach are replaced by a B3LYP geometry optimization and frequency calculation in the proposed G2(B3LYP/MP2/CC) approach. This simplification does not affect the average absolute deviation from experiment, but decreases the maximum error compared with the G2(MP2) approach. The G2(B3LYP/MP2/CC) results are compared with those obtained using the B3LYP approach, and the G2(B3LYP/MP2/CC) model is found to be more reliable, even if the B3LYP calculations are performed using a large basis set.

Bauschlicher, Charles W., Jr.↗
NASA NTRS2021

Investigations on the Anthropogenic Reversal of the Natural Ozone Gradient Between Northern and Southern Midlatitudes

Our quantitative understanding of natural tropospheric ozone concentrations is limited by the paucity of reliable measurements before the 1980s. We utilize the existing measurements to compare the long-term ozone changes that occurred within the marine boundary layer at northern and southern midlatitudes. Since 1950 ozone concentrations have increased by a factor of 2.1 ± 0.2 in the Northern Hemisphere (NH) and are presently larger than in the Southern Hemisphere (SH), where only a much smaller increase has occurred. These changes are attributed to increased ozone production driven by anthropogenic emissions of photochemical ozone precursors that increased with industrial development. The greater ozone concentrations and increases in the NH are consistent with the predominant location of anthropogenic emission sources in that hemisphere. The available measurements indicate that this interhemispheric gradient was much smaller and was likely reversed in the pre-industrial troposphere with higher concentrations in the SH. Six Earth system model (ESM) simulations indicate similar total NH increases (1.9 with a standard deviation of 0.3), but they occurred more slowly over a longer time period, and the ESMs do not find higher pre-industrial ozone in the SH. Several uncertainties in the ESMs may cause these model–measurement disagreements: the assumed natural nitrogen oxide emissions may be too large, the relatively greater fraction of ozone injected by stratosphere–troposphere exchange to the NH may be overestimated, ozone surface deposition to ocean and land surfaces may not be accurately simulated, and model treatment of emissions of biogenic hydrocarbons and their photochemistry may not be adequate.

natural tropospheric ozone concentrations↗
DOE OSTI2014

SU-E-I-27: Establishing Target Exposure Index Values for Computed Radiography

Purpose: To develop a standard set of target exposure index (TEI) values to be applied to Agfa Computed Radiography (CR) readers in accordance with International Electrotechnical Committee 62494-1 (ed. 1.0). Methods: A large data cohort was collected from six USAF Medical Treatment Facilities that exclusively use Agfa CR Readers. Dose monitoring statistics were collected from each reader. The data was analyzed based on anatomic region, view, and processing speed class. The Agfa specific exposure metric, logarithmic mean (LGM), was converted to exposure index (EI) for each data set. The optimum TEI value was determined by minimizing the number of studies that fell outside the acceptable deviation index (DI) range of +/− 2 for phototimed techniques or a range of +/−3 for fixed techniques. An anthropomorphic radiographic phantom was used to corroborate the TEI recommendations. Images were acquired of several anatomic regions and views using standard techniques. The images were then evaluated by two radiologists as either acceptable or unacceptable. The acceptable image with the lowest exposure and EI value was compared to the recommended TEI values using a passing DI range. Results: Target EI values were determined for a comprehensive list of anatomic regions and views. Conclusion: Target EI values must be established on each CR unit in order to provide a positive feedback system for the technologist. This system will serve as a mechanism to prevent under or overexposures of patients. The TEI recommendations are a first attempt at a large scale process improvement with the goal of setting reasonable and standardized TEI values. The implementation and effectiveness of the recommended TEI values should be monitored and adjustments made as necessary.

60 APPLIED LIFE SCIENCES↗