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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 127 records · Page 7

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NASA NTRS2000

VLBI Contribution to ITRF2000

The VLBI data set spanning Aug. 1919 to the present is a major constituent of ITRF2000 because of the time span, the geometric strength and the accuracy of the modeling. Formal velocity errors for the best stations are less than 0.3 mm/yr while the probable frame definition error for station velocities is approximately 0.4 mm/yr. The primary systematic errors are the troposphere and tidal loading (solid Earth and ocean). However, the scale of the VLBI TRF is probably only weakly affected because of continued improvements in the tropospheric mapping function and gradient estimation. There are some weaknesses in the spatial distribution of data, particularly in the southern hemisphere, and the quality of the mobile VLBI results is now suboptimal. The deployment of the TIGO system to Chile will improve the geometric coverage. The current state of the art of VLBI analysis will be discussed.

Ma, Chopo↗

DOE OSTI2020

Hydrogen Bonding Enhances the Electrochemical Hydrogenation of Benzaldehyde in the Aqueous Phase

Abstract The hydrogenation of benzaldehyde to benzyl alcohol on carbon‐supported metals in water, enabled by an external potential, is markedly promoted by polarization of the functional groups. The presence of polar co‐adsorbates, such as substituted phenols, enhances the hydrogenation rate of the aldehyde by two effects, that is, polarizing the carbonyl group and increasing the probability of forming a transition state for H addition. These two effects enable a hydrogenation route, in which phenol acts as a conduit for proton addition, with a higher rate than the direct proton transfer from hydronium ions. The fast hydrogenation enabled by the presence of phenol and applied potential overcompensates for the decrease in coverage of benzaldehyde caused by competitive adsorption. A higher acid strength of the co‐adsorbate increases the intensity of interactions and the rates of selective carbonyl reduction.

Sanyal, Udishnu↗

DOE OSTI2023

The spectra of IceCube Neutrino (SIN) candidate sources – III. Optical spectroscopy and source characterization of the full sample

A correlation between astrophysical high-energy neutrinos and blazars has been suggested by various authors. In particular, a likely association between IceCube events and intermediate- and high-energy peaked BL Lac objects has led to a sample of 47 objects having a high probability of being neutrino sources. In the first paper of this series we reported optical spectroscopy of 17 objects, which together with data taken from the literature covered 80 per cent of the sample. Here, we present spectroscopy obtained at large aperture telescopes of a further 17 objects (plus four additional targets), which completes the sample coverage. For 12 objects we are able to determine the redshift (0.07 < z < 1.6), while for the others we set a lower limit on it, based on either the robust detection of intervening absorption systems or on an estimation derived from the absence of spectral signatures of the host galaxy. With these new data we expand and reinforce the main results of our previous papers, namely the fact that in terms of their broad-band properties our sources appear to be indistinguishable from the rest of the blazar population and the relatively large (>34 per cent and possibly as high as 80 per cent) fraction of masquerading BL Lac objects, for which the low equivalent width of the emission lines is due to the brightness of the boosted continuum, rather than being an intrinsic property, in our sample.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1980

The Galilean satellites - New near-infrared spectral reflectance measurements /0.65-2.5 microns/ and a 0.325-5 micron summary

New near-infrared (0.65-2.5 microns) reflectance spectra of the Galilean satellites are presented. These spectra more precisely define the water ice absorption features previously identified on Europa, Ganymede, and Callisto at 1.55 and 2.0 microns. In addition, previously unreported spectral features due to water ice are seen at 1.25, 1.06, 0.90, and 0.81 microns on Europa, and at 1.25, 1.04, and possibly 0.71 microns on Ganymede. Unreported absorption features in Callisto's spectrum occur at 1.2 microns, probably due to H2O, and a weak, broad band extending from 0.75 to 0.95 microns due possibly to other minerals. The spectrum of Io has only weak absorption features at 1.15 microns and between 0.8 and 1.0 microns. No water absorptions are positively identified in the Io spectra, indicating an upper limit of areal water frost coverage of 2% (leading and trailing sides). It is found for Callisto, Ganymede, and Europa that the water ice absorption features are due to free water and not to water bound or absorbed onto minerals. The areal coverage of water frost is approximately 100% on Europa (trailing side), approximately 65% on Ganymede (leading side), and 20-30% on Callisto (leading side). An upper limit of approximately 5% bound water (in addition to the 20-30% ice) may be present on Callisto, based on the strong 3-micron band seen by other investigators. A summary of spectra of the satellites from 0.325 to about 5 microns to aid in laboratory and interpretation studies is also presented.

Clark, R. N.↗

NASA NTRS1969

Recovery considerations for possible high inclination long duration earth orbital missions

Problem areas are discussed and various solutions proposed. One of the major recovery problems encountered with missions having higher orbital inclinations than previous missions is the greater likelihood of severe weather conditions in the landing zones, especially if landing zones are optimized for orbital coverage considerations. Restricting the reentry window and increasing in-orbit wait times can partially eliminate the weather problem, but the possibility of emergency landings at higher latitudes still exists. It can be expected that the increased confidence level in spacecraft reliability that will exist by the time the high-inclination missions are flown will reduce the probabilities of an emergency landing in an unfavorable recovery location to a very low level.

Obriant, T. E.↗

NASA NTRS1972

Artic and subarctic environmental analyses utilizing ERTS-1 imagery. Cold regions environmental analysis based on ERTS-1 imagery (preprint)

There are no author-identified significant results in this report. An overriding problem in arctic and subarctic environmental research has been the absence of long-term observational data and the sparseness of geographical coverage of existing data. A first look report is presented on the use of ERTS-1 imagery as a major tool in two large area environmental studies: (1) investigation of sedimentation and other nearshore marine processes in Cook Inlet, Alaska; and (2) a regional study of permafrost regimes in the discontinuous permafrost zone of Alaska. These studies incorporate ground truth acquisition techniques that are probably similar to most ERTS investigations. Studies of oceanographic processes in Cook Inlet will be focused on seasonal changes in nearshore bathymetry, tidal and major current circulation patterns, and coastal sedimentation processes, applicable to navigation, construction, and maintenance of harbors. Analyses will be made of the regional permafrost distribution and regimes in the Upper Koyukuk-Kobuk River area located in NW Alaska.

Anderson, D. M.↗

DOE OSTI2025

Secure Route: Roadway Risk Mapping for Transportation Planners

The secure transport of sensitive materials across U.S. road networks pose unique challenges for local, state, and federal agencies. Threats range from random events (e.g., accidents, medical emergencies, mechanical failures) to opportunistic or organized tactical assaults. Although the probability of such attacks is very low, the consequences of material loss to foreign states or terrorists can be catastrophic, qualifying these scenarios as “grey swan” events—low-probability, high-impact occurrences that are predictable but difficult to quantify. Traditional risk assessments struggle in these contexts, necessitating a shift toward subjective risk perception to inform planning. Risk perception in transport planning is shaped by various factors, including knowledge of adversarial capabilities, vehicle defenses, manifest details, and geographic features along the route. Geographic features such as bridges, tunnels, roadside elevation, and gaps in cellular coverage introduce vulnerabilities, while mitigative features include safe havens, police stations, and medical services. Temporal variables such as congestion, accidents, and weather further complicate route planning. Despite their importance, existing routing tools like Google Maps and commercial software do not explicitly account for geographic risk features, requiring planners to rely on personal familiarity with routes—a time-intensive, non-scalable approach. This work addresses these gaps by: (1) developing datasets that catalog geographic risk features along U.S. roadways, (2) eliciting risk perceptions from experienced transportation security experts, and (3) linking these perceptions to roadway conditions and geographic data. We implement these capabilities within Secure Route a novel mapping tool for classifying route segment risks associated with roadway conditions. This system provides transportation planners with an intuitive interface to assess and contextualize risk along potential routes, improving decision-making for secure transport. We present current progress in this effort and identify next steps.

Stewart, Robert [ORNL] (ORCID:0000000281867559)↗

NASA NTRS1986

The hydrogen coverage of interstellar PAHs

The rate at which the CH bond in interstellar Polycyclic Aromatic Hydrocarbons (PAHs) rupture due to the absorption of a UV photon has been calculated. The results show that small PAHs (less than or equal to 25 carbon atoms) are expected to be partially dehydrogenated in regions with intense UV fields, while large PAHs (greater than or equal to 25 atoms) are expected to be completely hydrogenated in those regions. Because estimate of the carbon content of interstellar PAHs lie in the range of 20 to 25 carbon atoms, dehydrogenation is probably not very important. Because of the absence of other emission features besides the 11.3 micrometer feature in ground-based 8 to 13 micrometer spectra, it has been suggested that interstellar PAHs are partially dehydrogenated. However, IRAS 8 to 22 micrometer spectra of most sources that show strong 7.7 and 11.2 micrometer emission features also show a plateau of emission extending from about 11.3 to 14 micrometer. Like the 11.3 micrometer feature, this new feature is attributed to the CH out of plane bending mode in PAHs. This new feature shows that interstellar PAHs are not as dehydrogenated as estimated from ground-based 8 to 13 micrometer spectra. It also constrains the molecular structure of interstellar PAHs. In particular, it seems that very condensed PAHs, such as coronene and circumcoronene, dominate the interstellar PAH mixture as expected from stability arguments.

Barker, J. R.↗

NASA NTRS1987

The hydrogen coverage of interstellar PAHs

Tielens, A. G. G. M.↗

DOE OSTI2020

A deep neural network to search for new long-lived particles decaying to jets

A tagging algorithm to identify jets that are significantly displaced from the proton-proton (pp) collision region in the CMS detector at the LHC is presented. Displaced jets can arise from the decays of long-lived particles (LLPs), which are predicted by several theoretical extensions of the standard model. The tagger is a multiclass classifier based on a deep neural network, which is parameterised according to the proper decay length $\mathrm{c}\tau_0$ of the LLP. A novel scheme is defined to reliably label jets from LLP decays for supervised learning. Samples of pp collision data, recorded by the CMS detector at a centre-of-mass energy of 13 TeV, and simulated events are used to train the neural network. Domain adaptation by backward propagation is performed to improve the simulation modelling of the jet class probability distributions observed in pp collision data. The potential performance of the tagger is demonstrated with a search for long-lived gluinos, a manifestation of split supersymmetric models. The tagger provides a rejection factor of 10 000 for jets from standard model processes, while maintaining an LLP jet tagging efficiency of 30-80% for gluinos with 1 mm $\leq$ $c\tau_0$ $\leq$ 10 m. The expected coverage of the parameter space for split supersymmetry is presented.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2022

Evaluation of WRF simulation of deep convection in the US Southern Great Plains

The Southern Great Plains (SGP) exhibits a relatively high frequency of periods with extremely high rainfall rates (RR) and hail. Here, seven months of 2017 are simulated using the Weather Research and Forecasting (WRF) model applied at convection permitting resolution with the Mibrandt-Yau microphysics scheme. Simulation fidelity is evaluated, particularly during intense convective events, using data from ASOS stations, dual-polarization RADAR, gridded data sets and observations at the DoE Atmospheric Radiation Measurement site. The spatial gradients and temporal variability of precipitation and the cumulative density functions for both RR and wind speeds exhibit fidelity. Odds ratios >1 indicate WRF is also skillful in simulating high composite reflectivity (cREF, used as a measure of widespread convection) and RR > 5 mmhr –1 over the domain. Detailed analyses of the ten days with highest spatial coverage of cREF >30 dBZ show spatially similar reflectivity fields and high RR in both RADAR data and WRF simulations. However, during periods of high reflectivity, WRF exhibits a positive bias in terms of very high RR (> 25 mmhr –1 ) and hail occurrence, and during the summer and transition months, maximum hail size is underestimated. For some renewable energy applications fidelity is required with respect to the joint probabilities of wind speed and RR and/or hail. While partial fidelity is achieved for the marginal probabilities, performance during events of critical importance to these energy applications is currently not sufficient. Further research into optimal WRF configurations in support of potential damage quantification for these applications is warranted.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Quantifying the Variation in the Number of Donors in Quantum Dots Created Using Atomic Precision Advanced Manufacturing

Atomic-precision advanced manufacturing enables unique silicon quantum electronics built on quantum dots fabricated from small numbers of phosphorus dopants. The number of dopant atoms comprising a dot plays a central role in determining the behavior of charge and spin confined to the dots and thus overall device performance. Here in this work, we use both theoretical and experimental techniques to explore the combined impact of lithographic variation and stochastic kinetics on the number of P incorporations in quantum dots made using these techniques and how this variation changes as a function of the size of the dot. Using a kinetic model of PH3 dissociation augmented with novel reaction barriers, we demonstrate that for a 2 × 3 silicon dimer window the probability that no donor incorporates goes to zero, allowing for certainty in the placement of at least one donor. However, this still comes with some uncertainty in the precise number of incorporated donors (either one or two), and this variability may still impact certain applications. We also examine the impact of the size of the initial lithographic window, finding that the incorporation fraction saturates to δ-layer-like coverage as the circumference-to-area ratio decreases. We predict that this incorporation fraction depends strongly on the dosage of the precursor and that the standard deviation of the number of incorporations scales as ~√n, as would be expected for a sequence of largely independent incorporation events. Finally, we characterize an array of 36 experimentally prepared multidonor 3 × 3 nm lithographic windows with scanning tunneling microscopy, measuring the fidelity of the lithography to the desired array and the final location of PH x fragments within these lithographic windows. We use our kinetic model to examine the expected variability due to the observed lithographic error, predicting a negligible impact on incorporation statistics. We find good agreement between our model and the inferred incorporation locations in these windows from scanning tunneling microscope measurements.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Uncovering the True Active Sites in Ni–N–C Catalysts for CO 2 Electroreduction

Understanding and designing active sites in single-atom catalysts (SACs) requires going beyond static models to capture their dynamic evolution under realistic electrochemical conditions. Here, in this work, we develop an integrated theoretical framework that accounts for operational conditions, by combining grand canonical density functional theory (GC-DFT) with machine-learning-accelerated sampling, to uncover structure–activity–stability relationships in Ni–N–C SACs for the CO 2 reduction reaction (CO 2 RR). A library of NiN x C 4–x (x = 0–4) motifs─representing coordination defects likely formed during high-temperature synthesis─was systematically evaluated. Under working conditions, these sites were found to undergo hydrogenation, and NiN 3 C 1_ H 1 was identified as the most probable active site. At reducing potentials, hydrogen adsorbs spontaneously at C–Ni bridge sites rather than Ni top sites, while subsurface hydrogen facilitates bent CO 2 adsorption crucial for activation. High CO 2 RR selectivity toward CO arises from site separation: Ni centers drive CO2RR, while the hydrogen evolution reaction (HER) occurs at the C–Ni bridge or N sites and from thermodynamic suppression of HER at moderate hydrogen coverage. At more negative potentials, a shift in the CO 2 RR rate-determining process (RDP) and Ni out-of-surface displacement induced by coadsorption of H and H 2 O jointly reduce activity and selectivity. Thus, both the high CO2RR selectivity of Ni–N–C catalysts and its reversal with more negative potentials can be rationalized by accounting for hydrogenated surfaces. This highlights the necessity of modeling realistic; in situ conditions. This framework provides generalizable insights into the dynamic behavior of active sites in SACs, offering guidance for the rational design of active and robust catalysts for a wide range of electrochemical reactions.

25 ENERGY STORAGE↗

NASA NTRS1982

Geologic utility of improved orbital measurements

From a geologists point of view, the most important use of orbital cameras is probably to provide spatial or context information in remote areas. This information can be extracted even from broad-band, single channel images provided that the spatial resolution is adequate for the problem at hand. Topographic information, usually provided by stereoscopic images, is next in importance. Any satellite system designed to satisfy general geologic requirements must produce stereo images, preferably with large base/height ratios of 0.5 or more. Satellite coverage at different illumination geometries could provide low Sun angles for regions of low relief where topography must be accentuated, and high Sun angles for areas of high relief or when multispectral data are being collected. Thus a different polar orbit than that of LANDSAT would be advantageous. The extended spectral sensitivity of scanner permits interferences of the composition of rocks in the scene to be drawn directly, rather than from contextual clues.

Gillespie, A. R.↗

NASA NTRS1984

Research Relative to High Spatial Resolution Passive Microwave Sounding Systems

Methods to obtain high resolution passive microwave weather observations, and understanding of their probable impact on numerical weather prediction accuracy were investigated. The development of synthetic aperture concepts for geosynchronous passive microwave sounders were studied. The effects of clouds, precipitation, surface phenomena, and atmospheric thermal fine structure on a scale of several kilometers were examined. High resolution passive microwave sounders (e.g., AMSU) with an increased number of channels will produce initialization data for numerical weather prediction (NWP) models with both increased spatial resolution and coverage. The development of statistical models for error growth in high resolution primitive equation NWP models which permit the consequences of various observing system alternatives, including sensors and assimilation times and procedures is discussed. A high resolution three dimensional primitive equation NWP model to determine parameters in an error growth model similar to that formulated by Lorenz, but with more degrees of freedom is utilized.

Staelin, D. H.↗

NASA NTRS2017

DNA Repair Domain Modeling Can Predict Cell Death and Mutation Frequency for Wide Range Spectrum of Radiation

Exploration missions to Mars and other destinations raise many questions about the health of astronauts. The continuous exposure of astronauts to galactic cosmic rays is one of the main concerns for long-term missions. Cosmic ionizing radiations are composed of different ions of various charges and energies notably, highly charged energy (HZE) particles. The HZE particles have been shown to be more carcinogenic than low-LET radiation, suggesting the severity of chromosomal aberrations induced by HZE particles is one possible explanation. However, most mathematical models predicting cell death and mutation frequency are based on directly fitting various HZE dose response and are in essence empirical approaches. In this work, we assume a simple biological mechanism to model DNA repair and use it to simultaneously explain the low- and high-LET response using the exact same fitting parameters. Our work shows that the geometrical position of DNA repair along tracks of heavy ions are sufficient to explain why high-LET particles can induce more death and mutations. Our model is based on assuming DNA double strand breaks (DSBs) are repaired within repair domain, and that any DSBs located within the same repair domain cluster into one repair unit, facilitating chromosomal rearrangements and increasing the probability of cell death. We introduced this model in 2014 using simplified microdosimetry profiles to predict cell death. In this work, we collaborated with NASA Johnson Space Center to generate more accurate microdosimetry profiles derived by Monte Carlo techniques, taking into account track structure of HZE particles and simulating DSBs in realistic cell geometry. We simulated 224 data points (D, A, Z, E) with the BDSTRACKS model, leading to a large coverage of LET from ~10 to 2,400 keV/μm. This model was used to generate theoretical RBE for various particles and energies for both cell death and mutation frequencies. The RBE LET dependence is in agreement with experimental data known in human and murine cells. It suggests that cell shape and its orientation with respect to the HZE particle beam can modify the biological response to radiation. Such discovery will be tested experimentally and, if proven accurate, will be another strong supporting evidence for DNA repair domains and their critical role in interpreting cosmic radiation sensitivity.

Viger, Louise↗

NASA NTRS1996

Quantitative Measures for Software Independent Verification and Validation

As software is maintained or reused, it undergoes an evolution which tends to increase the overall complexity of the code. To understand the effects of this, we brought in statistics experts and leading researchers in software complexity, reliability, and their interrelationships. These experts' project has resulted in our ability to statistically correlate specific code complexity attributes, in orthogonal domains, to errors found over time in the HAL/S flight software which flies in the Space Shuttle. Although only a prototype-tools experiment, the result of this research appears to be extendable to all other NASA software, given appropriate data similar to that logged for the Shuttle onboard software. Our research has demonstrated that a more complete domain coverage can be mathematically demonstrated with the approach we have applied, thereby ensuring full insight into the cause-and-effects relationship between the complexity of a software system and the fault density of that system. By applying the operational profile we can characterize the dynamic effects of software path complexity under this same approach We now have the ability to measure specific attributes which have been statistically demonstrated to correlate to increased error probability, and to know which actions to take, for each complexity domain. Shuttle software verifiers can now monitor the changes in the software complexity, assess the added or decreased risk of software faults in modified code, and determine necessary corrections. The reports, tool documentation, user's guides, and new approach that have resulted from this research effort represent advances in the state of the art of software quality and reliability assurance. Details describing how to apply this technique to other NASA code are contained in this document.

Lee, Alice↗

DOE OSTI2025

Sticking Coefficients of Fusion Reactor Impurities from Molecular Dynamics Simulations for the Design of Cryopumps

A cryopump can be utilized as an impurity removal component of a direct internal recirculation (DIR) system for the fusion fuel cycle. The DIR facilitates a low fuel inventory by continuously pumping unburnt fuel while removing impurities from the fusion exhaust stream. A cryopump can target multiple impurity species by maintaining a temperature lower than the gas triple-point temperature that promotes desublimation. The desublimation/condensation of gases in cryopumps can be characterized by the sticking coefficient, which is defined as the probability for a gas particle to stick to a (cryo-)surface upon collision. The sticking coefficient is one of the important design/operation parameters for cryopumps, and it depends on a variety of surface and gas properties. Here, in this study, molecular dynamics simulations were utilized to estimate the sticking coefficients of typical fusion gas impurity species N 2 , CO 2 , and CH 4 over a Cu surface for a range of gas temperatures and surface coverages. The molecular dynamics study showed that the sticking coefficients for gases decrease with an increase in gas temperature. The presence of a single full monolayer of condensate on the metallic surface showed an adverse effect on the sticking of gases; however the sticking improved with two full monolayers of condensate on the surface. The sticking of gases over the mixed condensate on a surface was more favorable than the condensate of the same species for N 2 and CH 4 , with an exception for CO 2 , which showed a decrease in sticking over the mixed condensate.

cryopump↗