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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Development of a Universal Second-Tier Newborn Screening LC–MS/MS Method for Amino Acids, Lysophosphatidylcholines, and Organic Acids

First-tier MS-based newborn screening by flow injection analysis can have high presumptive positive rates, often due to isomeric/isobaric compounds or poor biomarker specificity. These presumptive positive samples can be analyzed by second-tier screening assays employing separations such as liquid chromatography–mass spectrometry (LC–MS/MS), which increases test specificity and drastically reduces false positive referrals. The ability to screen for multiple disorders in a single multiplexed test simplifies workflows and maximizes public health laboratories’ resources. In this study, we developed and validated a highly multiplexed second-tier method for dried blood spots using a hydrophilic interaction liquid chromatography (HILIC) column coupled to an MS/MS system. The LC–MS/MS method was capable of simultaneously detecting second-tier biomarkers for maple syrup urine disease, homocystinuria, methylmalonic acidemia, propionic acidemia, glutaric acidemia type 1, glutaric acidemia type 2, guanidinoacetate methyltransferase deficiency, short-chain acyl-CoA dehydrogenase deficiency, adrenoleukodystrophy, and Pompe disease.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

HarDWR - Water Management Area (WMA) Shapefiles

A dataset within the Harmonized Database of Western U.S. Water Rights (HarDWR). For a detailed description of the database, please see the meta-record v2.0. Changelog v2.0 - No changes v1.0 - Initial public release Description Borders of all Water Management Areas (WMAs) across the 11 western-most states of the coterminous United States are available filtered through a single source. The legal name for this set of boundaries varies state-by-state. The data is provided as two compressed shapefiles. One, stateWMAs, contains data for all 11 states. For 10 of those states, Arizona being the exception, the polygons represent the legal management boundaries used by those states to manage their surface and groundwater resources respectively. WMAs refer to the set of boundaries a particular state uses to manage its water resources. Each set of boundaries was collected from the states individually, and then merged into one spatial layer. The merging process included renaming some columns to enable merging with all other source layers, as well as removing columns deemed not required for followup analysis. The retained columns for each boundary are: basinNum - the state provided unique numerical ID; basinName - the state provided English name of the area, where applicable; state - the state name; and uniID - a unique identifier we created by concatenating the state name, and underscore, and the state numerical ID. Arizona is unique within this collection of states in that surface and groundwater resources are managed using two separate sets of boundaries. During our followup analysis (Grogan et al., in review) we decided to focus on one set of boundaries, those for surface water. This is due to the recommendation of our hydrologists that the surface water boundary set is a more realist representation of how water moves across the landscape, as a few of the groundwater boundaries are based on political and/or economic considerations. Therefore, the Arizona surface WMAs are included within stateWMAs. The Arizona groundwater WMAs are provided as a separate file, azGroundWMAs, as a companion to the first file for completeness and general reference. WMA spatial boundary data sources by state: Arizona: Arizona Surface Water Watersheds; Collected February, 2020; https://gisdata2016-11-18t150447874z-azwater.opendata.arcgis.com/datasets/surface-watershed/explore?location=34.158174%2C-111.970823%2C7.50 Arizona: Arizona Ground Water Basins; Collected February, 2020; https://gisdata2016-11-18t150447874z-azwater.opendata.arcgis.com/datasets/groundwater-basin-2/explore?location=34.158174%2C-111.970823%2C7.50 California: California CalWater 2.2.1; Collected February, 2020; https://www.mlml.calstate.edu/mpsl-mlml/data-center/data-entry-tools/data-tools/gis-shapefile-layers/ Colorado: Colorado Water District Boundaries; Collected February, 2020; https://www.colorado.gov/pacific/cdss/gis-data-category Idaho: Idaho Department of Water Resources (IDWR) Administrative Basins; Collected November, 2015; https://data-idwr.opendata.arcgis.com/datasets/fb0df7d688a04074bad92ca8ef74cc26_4/explore?location=45.018686%2C-113.862284%2C6.93 Montana: Collected June, 2019; Directly contacted Montana Department of Natural Resources and Conservation (DNRC) Office of Information Technology (OIT) Nevada: Nevada State Engineer Admin Basin Boundaries; Collected April, 2020 https://ndwr.maps.arcgis.com/apps/mapviewer/index.html?layers=1364d0c3a0284fa1bcd90f952b2b9f1c New Mexico: New Mexico Office of the State Engineer (OSE) Declared Groundwater Basins; Collected April, 2020 https://geospatialdata-ose.opendata.arcgis.com/datasets/ose-declared-groundwater-basins/explore?location=34.179783%2C-105.996542%2C7.51 Oregon: Oregon Water Resources Department (OWRD) Administrative Basins; Collected February, 2020; https://www.oregon.gov/OWRD/access_Data/Pages/Data.aspx Utah: Utah Adjudication Books; Collected April, 2020; https://opendata.gis.utah.gov/datasets/utahDNR::utah-adjudication-books/explore?location=39.497165%2C-111.587782%2C-1.00 Washington: Washington Water Resource Inventory Areas (WRIA); Collected June, 2017; https://ecology.wa.gov/Research-Data/Data-resources/Geographic-Information-Systems-GIS/Data Wyoming: Wyoming State Engineer's Office Board of Control Water Districts; Collected June, 2019; Directly contacted Wyoming State Engineer's Office

Economics↗
NASA NTRS1989

Metal dynamics in Lake Vanda (Wright Valley, Antarctica)

Data are reported for Mn, Fe, Co, Ni, Cu and Cd in the Onyx River, and for Mn, Co, Ni, Cu and Cd in Lake Vanda, a closed-basin Antarctic lake. Oxic water concentrations for Co, Ni, Cu and Cd were quite low and approximate pelagic ocean values. Scavenging of these metals by sinking particles is strongly indicated. Deep-lake profiles reveal a sharp peak in the concentrations of Mn, Fe and Co at the oxic-anoxic boundary at 60 m. Maxima for Ni, Cu and Cd occur higher in the water column, in the vicinity of a Mn submaximum, suggesting early release of these metals from sinking manganese oxide-coated particles. A rough steady-state model leads to the conclusion that there is a large downward flux of Mn into the deep lake and that this flux is sufficient to explain the annual loss of Co, Ni, Cu and Cd. A pronounced geochemical separation between Fe and Mn apparently occurs in this system--Fe being best lost in near-shore environments and Mn being lost in deeper waters. Comparison of metal residence times in Lake Vanda with those in the oceans shows that in both systems Mn, Fe and Co are much more reactive than Ni, Cu and Cd. Energetically favorable inclusion of the more highly charged metals, Mn(IV), Fe(III) and Co(III), into oxide-based lattices is a plausible explanation.

NASA Center ARC↗
NASA NTRS1986

Theory of electrophoretic separations. I - Formulation of a mathematical model

A generally applicable model of electrophoretic processes is presented. The model describes the chemical reactions, treating the chemical processes as reactions at equilibrium and accounting for convection, conservation, diffusion, and electromigration of individual species as well as the relation between charge and potential. Conservation relations are described and simplified, taking advantage of the speed of the chemical reactions as compared to the transport processes to adapt the model to the electrophoretic processes involving weak electrolytes. As an application example, isotachophoresis in a one-dimensional column is considered in detail.

Saville, D. A.↗
DOE OSTI2020

Identification and Quantification of Technetium Species in Hanford Waste Tank AN-102

Technetium-99 (Tc) generated from the fission of 235U and 239Pu in high yields is one of the most difficult contaminants to be addressed at the U.S. Department of Energy Hanford Site. In strongly alkaline solutions typifying Hanford tank waste, Tc exists as pertechnetate (TcO4-) (oxidation state VII) as well as in reduced forms (oxidation state < VII) collectively known as non-pertechnetate species. Designing strategies for effective Tc management, including separation and immobilization, necessitates understanding the molecular structure of the non- pertechnetate species and their identification in the actual tank waste samples, which would facilitate development of new treatment technologies effective for dissimilar Tc species. Toward this objective, a spectroscopic library of the Tc(I) [fac-Tc(CO)3]+ and Tc(IV, VII) compounds was generated using a range of techniques and applied to the characterization of the actual tank waste supernatant collected from the tank 241-AN-102 at Hanford, WA. A sample of the 241-AN-102 tank waste supernatant was processed to adjust Na concentration to about 5.6 M and remove 137Cs by spherical resorcinol-formaldehyde (sRF) ion exchange resin. Cesium-loaded sRF column was eluted with 0.5 M HNO3. As received AN-102, Cs-depleted AN-102 effluent, and sRF eluate fractions were comprehensively characterized for chemical composition and speciation of Tc using 99Tc nuclear magnetic resonance spectroscopy and X-ray absorption spectroscopy. It was demonstrated for the first time that non-pertechnetate Tc present in the 241-AN-102 tank waste is composed of several low-valent Tc species, including the Tc(I) [fac-Tc(CO)3]+ and Tc(IV) compounds. This is the second experimental observation of the [fac-Tc(CO)3]+ species in the Hanford tank waste and the first demonstration of multiple forms of non-pertechnetate species existing simultaneously in the waste, cumulatively highlighting their importance for the waste processing.

Low Activity Waste (LAW), High Level Waste, nuclea↗
NASA NTRS1986

The local interstellar medium. IV - The line of sight to Upsilon Scorpii

Profile fitting of Copernicus UV absorption lines separates out four components in the line of sight to Upsilon Sco. Velocities for three of the components, including the two components associated with major H I and H II regions, are in excellent agreement with the corresponding components in the nearby line of sight to Lambda Sco. The velocity of the remaining component is between the velocities of the two remaining Lambda Sco components. Column densities of the various ionization stages of C, N, Si, S, and Ar in the major H I and H II regions are in reasonable agreement with those determined from the Lambda Sco observations, with four notable exceptions. In Upsilon Sco there is more N II and substantially less S III in the H I component and significantly less N I and Si III in the H II component.

Eder, D. C.↗
NASA NTRS2001

Exploring the Hot Galactic Halo Using Shadows of High Latitude Clouds

The objective of this proposal was to measure variations in the 1/4 keV emission from the galactic halo, using ROSAT (x-ray astronomy satellite) Position Sensitive Proportional Counters (PSPC) observations toward known enhancements in the absorbing column density along the line-of-sight out of the Galaxy. Target directions were selected to have a low total hydrogen column density but to also show significant gradients in the amount of absorbing material, as traced by Infrared Astronomical Satellite (IRAS) 100 micron emission, on angular scales that would be contained within the PSPC field of view. In addition, we restricted the galactic latitude of the target directions to be greater than 60 degrees or less than -60 degrees in order to enable a cleaner separation of Galactic halo emission from that of the Galactic disk. The observations would also provide a measurement of the brightness of the emission from the Local Bubble.

Juda, M.↗
NASA NTRS2007

Summer Dust Aerosols Detected from CALIPSO Observations over the Tibetan Plateau

Summertime Tibetan dust aerosol plumes are detected from the Cloud-Aerosol Lidar and Infrared Pathfinder Satellite Observations (CALIPSO) satellite. CALIPSO reveals that dust storms occur 4 times more frequently than previously found from Tibetan surface observations because few surface sites were available over remote northwestern Tibet. The Tibetan dust aerosol is characterized by column-averaged depolarization and color ratios around 21% and 0.83, respectively. The dust layers appear most frequently around 4-7 km above mean sea level. The depolarization ratio for about 90% of the dust particles is less than 10% at low altitudes (3-5 km), while only about 50% of the particles have a greater depolarization ratio at higher altitudes (7-10 km) suggesting a separation of larger irregular particles from smaller, near spherical ones during transport. The 4-day back trajectory analyses show that these plumes probably originate from the nearby Taklimakan desert surface and accumulate over the northern slopes of the Tibetan Plateau. These dust outbreaks can affect the radiation balance of the atmosphere of Tibet because they both absorb and reflect solar radiation.

Huang, Jianping↗
DOE OSTI2026

Simulated moving bed-inspired method for continuous adsorptive denitrogenation of model fuel

Efficient, continuous routes for removing nitrogen-containing compounds from hydrothermal liquefaction-derived synthetic aviation fuel are needed to enable direct blending with conventional jet fuels. Here, we report a simulated moving bed-inspired process for adsorptive denitrogenation of a model fuel. Unlike conventional simulated moving bed systems, which are designed for sharp separations between similar solutes, this approach was run deliberately outside the classical separation region so that both pyridine and indole were removed together from the hydrocarbon stream. Alcohol solvents were used to regenerate the silica adsorbent, maintaining performance over extended operation and avoiding the downtime and energy demand associated with calcination. Under these conditions, the system demonstrates removal of more than 98% of nitrogen while cutting solvent use by 28% compared to batch operation. Classical modeling tools predicted column concentration profiles even in this nontraditional regime, suggesting a straightforward path to scaling. Together, these results motivate solvent-efficient, continuous denitrogenation strategies that could be integrated with biorefinery processes.

Adsorption↗
NASA NTRS1997

An Investigation of Aerosol and Ozone Measurements from the Cryogenic Limb Array Etalon Spectrometer: Validation and Relation to Other Chemical Species

Throughout this study we focused on comparisons of CLAES and in situ measurements of ozone and aerosol extinction. Thus the comparison is between satellite data representative of large spatial regions and in situ data representative of nearly point samples. Both instruments provide vertical profiles, but the region of overlap is limited to between approximately 10 and 100 mb. CLAES Version 7 ozone measurements have been compared to electrochemical cell ozonesonde measurements over McMurdo Station, Antarctica (78 deg S, 167 deg E), Dumont d'Urville, Antarctica (66.7 deg S, 140 deg E), Laramie, Wyoming (41 deg N, 106 deg W), and Bear Island, Norway (74.3 deg N, 19 deg E). Comparisons were made between vertical ozone profiles, and between integrated column ozone over the region of overlap of the measurements. Comparisons using CLAES Version 8 data are underway. CLAES Version 8 aerosol extinction measurements at all wavelengths have also been compared to University of Wyoming aerosol extinctions over McMurdo Station, Antarctica, and over Laramie, Wyoming. Coincidences in all cases were determined by minimizing the distance between the CLAES observations and the surface station, and the time separation between the satellite and in situ measurements.

Deshler, Terry↗
NASA NTRS1976

On the computation of the transonic perturbation flow field around two- and three-dimensional oscillating wings

A finite difference method for solving the unsteady flow about harmonically oscillating wings is investigated. The procedure is based on separating the velocity potential into steady and unsteady parts and linearizing the resulting unsteady differential equation for small disturbances. Solutions are obtained using relaxation procedures. It is determined that there is a limit on reduced frequency, which is a function of Mach number and size of mesh region, above which the relaxation procedures will not converge. It is found that row line relaxation is more efficient than column relaxation and results are presented for a rectangular wing in harmonic pitch.

Weatherill, W. H.↗
DOE OSTI2022

Parametric Testing and Evaluation of a Novel Biphasic Absorption Process for Post-Combustion Carbon Capture

A novel biphasic CO2 absorption process (BiCAP) is being developed at the University of Illinois. BiCAP is enabled by using a new class of biphasic solvents developed based on multi-property criteria for postcombustion carbon capture. The process was previously demonstrated at the lab-scale, including in 10 kWe absorption and desorption column systems. In the current study, the process has been scaled up by building and testing a 40 kWe integrated capture skid at a power plant. Parametric tests for two biphasic solvents were conducted with the synthetic flue gas made of bottle CO2 gas and air to validate the performance and operational flexibility of the unit with respect to varying process or operating conditions. Operation of the phase separator, which is unique equipment to BiCAP, was verified to be stable and efficient. Two liquid phases could be separated via static settlement based on a density difference and >90% of the CO2 absorbed was concentrated in the separated CO2-rich phase. Results of parametric tests showed that the minimum heat duty appeared at the optimal stripping pressure. A higher stripping temperature was more favourable to improve overall energy performance. Introducing a secondary cold solvent feed stream to the top of the stripper via bypassing the cross heat exchanger helped reduce the heat loss carried with water vapour. Test results also revealed that the heat duty requirement was comparable when the CO2 concentration in flue gas decreased from ~11 to 4 vol.% as the phase separation decoupled the absorption and desorption steps in BiCAP. Under typical steady-state conditions, both biphasic solvents lowered the process heat duty by >40% compared with the reference 30 wt.% monoethanolamine solvent.

Absorption↗
NASA NTRS1992

Development of an advanced spacecraft tandem mass spectrometer

The purpose of this research was to apply current advanced technology in electronics and materials to the development of a miniaturized Tandem Mass Spectrometer that would have the potential for future development into a package suitable for spacecraft use. The mass spectrometer to be used as a basis for the tandem instrument would be a magnetic sector instrument, of Nier-Johnson configuration, as used on the Viking Mars Lander mission. This instrument configuration would then be matched with a suitable second stage MS to provide the benefits of tandem MS operation for rapid identification of unknown organic compounds. This tandem instrument is configured with a newly designed GC system to aid in separation of complex mixtures prior to MS analysis. A number of important results were achieved in the course of this project. Among them were the development of a miniaturized GC subsystem, with a unique desorber-injector, fully temperature feedback controlled oven with powered cooling for rapid reset to ambient conditions, a unique combination inlet system to the MS that provides for both membrane sampling and direct capillary column sample transfer, a compact and ruggedized alignment configuration for the MS, an improved ion source design for increased sensitivity, and a simple, rugged tandem MS configuration that is particularly adaptable to spacecraft use because of its low power and low vacuum pumping requirements. The potential applications of this research include use in manned spacecraft like the space station as a real-time detection and warning device for the presence of potentially harmful trace contaminants of the spacecraft atmosphere, use as an analytical device for evaluating samples collected on the Moon or a planetary surface, or even use in connection with monitoring potentially hazardous conditions that may exist in terrestrial locations such as launch pads, environmental test chambers or other sensitive areas. Commercial development of the technology could lead to a new family of environmental test instruments that would be small and portable, yet would give quick analyses of complex samples.

Drew, Russell C.↗
NASA NTRS2003

An Efficient and Robust Singular Value Method for Star Pattern Recognition and Attitude Determination

A new star pattern recognition method is developed using singular value decomposition of a measured unit column vector matrix in a measurement frame and the corresponding cataloged vector matrix in a reference frame. It is shown that singular values and right singular vectors are invariant with respect to coordinate transformation and robust under uncertainty. One advantage of singular value comparison is that a pairing process for individual measured and cataloged stars is not necessary, and the attitude estimation and pattern recognition process are not separated. An associated method for mission catalog design is introduced and simulation results are presented.

Juang, Jer-Nan↗
NASA NTRS1982

Discovery of 69 ms periodic X-ray pulsations in A0538-66

The detection of X ray pulsations with a period of 69.2126 ms from A0538-66 was done from the Einstein Observatory. A point source was located by the High Resolution Imager and a proportional counter registered a flux of 40 counts/sec over background. A column spectral density of 2 x 10 to the 23/sq cm identified the object as A0538-66. A persistent periodicity of 0.0692126 sec was observed throughout the event. The outbursts were not detected on three other observations of A0538-66, and a best fit to a change of rotation velocity indicated that the period observed was from a binary star with a Doppler shifted signal. The two stars are separated by less than 39 solar radii, with the larger star having a 40 solar radius. Consideration is given to the possibility that the X rays are due to accretion on a neutron star and that the two stars at times share a common envelope.

Skinner, G. K.↗
DOE OSTI2024

Separation of gold from irradiated actinide material utilizing a 2- thenoyltrifluoroacetone extraction resin

Post-detonation nuclear forensics capabilities depend on the ability to rapidly isolate radionuclides to improve measurement quality. In this work an extraction chromatography resin was developed utilizing the extractants thenoyltrifluoroacetone and 1-octanol supported on Eichrom prefilter resin. Here the resin was tested in nitric and hydrochloric acid matrices. In nitric acid matrices the resin is able to extract zirconium, while in hydrochloric acid matrices it is possible to extract iron and gallium. In all acid conditions tested gold is retained but can be removed from the column with a 10% thiourea rinse.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2024

Assessing the Atmospheric Response to Subgrid Surface Heterogeneity in the Single-Column Community Earth System Model, Version 2 (CESM2)

Land-atmosphere interactions are central to the evolution of the atmospheric boundary layer and the subsequent formation of clouds and precipitation. Existing global climate models represent these connections with bulk approximations on coarse spatial scales, but observations suggest that small-scale variations in surface characteristics and co-located turbulent and momentum fluxes can significantly impact the atmosphere. Recent model development efforts have attempted to capture this phenomenon by coupling existing representations of subgrid-scale (SGS) heterogeneity between land and atmosphere models. Such approaches are in their infancy and it is not yet clear if they can produce a realistic atmospheric response to surface heterogeneity. Here, we implement a parameterization to capture the effects of SGS heterogeneity in the Community Earth System Model (CESM2), and compare single-column simulations against high-resolution Weather Research and Forecasting (WRF) large-eddy simulations (LESs), which we use as a proxy for observations. The CESM2 experiments increase the temperature and humidity variances in the lowest atmospheric levels, but the response is weaker than in WRF-LES. In part, this is attributed to an underestimate of surface heterogeneity in the land model due to a lack of SGS meteorology, a separation between deep and shallow convection schemes in the atmosphere, and a lack of explicitly represented mesoscale secondary circulations. These results highlight the complex processes involved in capturing the effects of SGS heterogeneity and suggest the need for parameterizations that communicate their influence not only at the surface but also vertically.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2020

An Evaluation of Clouds and Radiation in a Large-Scale Atmospheric Model Using a Cloud Vertical Structure Classification

We revisit the concept of the cloud vertical structure (CVS) classes we have previously employed to classify the planet's cloudiness (Oreopoulos et al., 2017). The CVS classification reflects simple combinations of simultaneous cloud occurrence in the three standard layers traditionally used to separate low, middle, and high clouds and was applied to a dataset derived from active lidar and cloud radar observations. This classification is now introduced in an atmospheric global climate model, specifically a version of NASA's GEOS-5, in order to evaluate the realism of its cloudiness and of the radiative effects associated with the various CVS classes. Such classes can be defined in GEOS-5 thanks to a sub column cloud generator paired with the model's radiative transfer algorithm, and their associated radiative effects can be evaluated against observations. We find that the model produces 50% more clear skies than observations in relative terms and produces isolated high clouds that are slightly less frequent than in observations, but optically thicker, yielding excessive planetary and surface cooling. Low clouds are also brighter than in observations, but underestimates of the frequency of occurrence (by ~20% in relative terms) help restore radiative agreement with observations. Overall the model better reproduces the longwave radiative effects of the various CVS classes because cloud vertical location is substantially constrained in the CVS framework.

Lee, Dongmin↗