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At least 1,243 records · Page 69

Steric effects in light-induced solvent proton abstraction

The significance of solvent structural factors in the excited-state proton transfer (ESPT) reactions of Schiff bases with alcohols is reported here. In this work, we use the super photobase FR0-SB and a series of primary, secondary, and tertiary alcohol solvents to illustrate the steric issues associated with solvent to photobase proton transfer. Steady-state and time-resolved fluorescence data show that ESPT occurs readily for primary alcohols, with a probability proportional to the relative –OH concentration. For secondary alcohols, ESPT is greatly diminished, consistent with the barrier heights obtained using quantum chemistry calculations. ESPT is not observed in the tertiary alcohol. We explain ESPT using a model involving an intermediate hydrogen-bonded complex where the proton is “shared” by the Schiff base and the alcohol. The formation of this complex depends on the ability of the alcohol solvent to achieve spatial proximity to and alignment with the FR0-SB* imine lone pair stabilized by the solvent environment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A method for computing the leading-edge suction in a higher-order panel method

Experimental data show that the phenomenon of a separation induced leading edge vortex is influenced by the wing thickness and the shape of the leading edge. Both thickness and leading edge shape (rounded rather than point) delay the formation of a vortex. Existing computer programs used to predict the effect of a leading edge vortex do not include a procedure for determining whether or not a vortex actually exists. Studies under NASA Contract NAS1-15678 have shown that the vortex development can be predicted by using the relationship between the leading edge suction coefficient and the parabolic nose drag. The linear theory FLEXSTAB was used to calculate the leading edge suction coefficient. This report describes the development of a method for calculating leading edge suction using the capabilities of the higher order panel methods (exact boundary conditions). For a two dimensional case, numerical methods were developed using the double strength and downwash distribution along the chord. A Gaussian quadrature formula that directly incorporates the logarithmic singularity in the downwash distribution, at all panel edges, was found to be the best method.

Ehlers, F. E.↗

Airborne lidar measurements of El Chichon stratospheric aerosols, January 1984

A lidar-equipped NASA Electra aircraft was flown in January 1984 between the latitude of 38 and 90 deg N. One of the primary purposes of this mission was to determine the spatial distribution and aerosol characteristics of El Chichon produced stratospheric material. Lidar data from that portion of the flight mission between 38 deg N and 77 deg N is presented. Representative profiles of lidar backscatter ratio, a plot of the integral backscattering function versus latitude, and contours of backscatter mixing ratio versus altitude and latitude are given. In addition, tables containing numerical values of the backscatter ratio and backscattering function versus altitude are applied for each profile. These data clearly show that material produced by the El Chichon eruptions of late March-early April 1982 had spread throughout the latitudes covered by this mission, and that the most massive portion of the material resided north of 55 deg N and was concentrated below 17 km in a layer that peaked at 13 to 15 km. In this latitude region, peak backscatter ratios at a wavelength of 0.6943 microns were approximately 3 and the peak integrated backscattering function was about 15 X 10 to the -4/sr corresponding to a peak optical depth of approximately 0.07. This report presents the results of this mission in a ready-to-use format for atmospheric and climatic studies.

Mccormick, M. Patrick↗

JWST Observations of the Enigmatic Y Dwarf WISE 1828+2650: I. Limits to a Binary Companion

The Y-dwarf WISE 1828+2650 is one of the coldest known Brown Dwarfs with an effective temperature of ~300 K. Located at a distance of just 10 pc, previous model-based estimates suggest WISE 1828+2650 has a mass of ~5-10 M J , making it a valuable laboratory for understanding the formation, evolution and physical characteristics of gas giant planets. However, previous photometry and spectroscopy have presented a puzzle with the near-impossibility of simultaneously fitting both the short (0.9-2.0 μm) and long wavelength (3-5 μm) data. A potential solution to this problem has been the suggestion that WISE 1828+2650 is a binary system whose composite spectrum might provide a better match to the data. Alternatively, new models being developed to fit JWST/NIRSpec and MIRI spectroscopy might provide new insights. This article describes JWST/NIRCam observations of WISE 1828+2650 in 6 filters to address the binarity question and to provide new photometry to be used in model fitting. We also report Adaptive Optics imaging with the Keck 10 m telescope. We find no evidence for multiplicity for a companion beyond 0.5 AU with either JWST or Keck. Companion articles will present low and high resolution spectra of WISE 1828 obtained with both NIRSpec and MIRI.

Infrared spectroscopy↗

Flight 1 technical report for experiment 74-37 contained polycrystalline solidification in low-G

A .005 M solution of fluorescein in cyclohexanol was directionally solidified in a standard 10 x 10 x 45mm UV silica cuvette, using a bottom thermoelectric chilling device. Progress of the experiment was monitored by time lapse photography. During flight (SPAR I) the camera malfunctioned and only one quarter of the expected data were collected. Comparison of flight and ground specimens indicated that: (1) The dark green layer observed ahead of the solid-liquid interface which is most likely the solute-enriched zone, appears to be wider in the flight specimen; (2) Parasitic nucleation ahead of the solid-liquid interface in the flight sample led to an irregularly shaped interface, smaller grain size, equiaxed grain morphology and a larger average macroscopic growth rate; (3) The formation of equiaxed grains ahead of the solid-liquid interface in the flight specimen may be attributed to ordered islands within the liquid, which survived remelting because of the low degree of superheating (approximately equal to 1.5 C), did not settle because of reduced gravity and acted as nuclei during cooling.

Papaziak, J. M.↗

Recommendations concerning satellite-acquired earth resource data: 1982 report of the Data Management Subcommittee of the GEOSAT Committee, Incorporated

End user concerns about the content and accessibility of libraries of remote sensing data in general are addressed. Recommendations pertaining to the United States' satellite remote sensing programs urge: (1) the continuation of the NASA/EROS Data Center program to convert pre-1979 scenes to computer readable tapes and create a historical archive of this valuable data; (2) improving the EROS archive by adding geologically interesting scenes, data from other agencies (including previously classified data), and by adopting a policy to retire data from the archive; (3) establishing a computer data base inquiry system that includes remote sensing data from all publically available sources; (4) capability for prepurchase review and evaluation; (5) a flexible price structure; and (6) adoption of standard digital data products format. Information about LANDSAT 4, the status of worldwide LANDSAT receiving stations, future non-U.S. remote sensing satellites, a list of sources for LANDSAT data, and the results of a survey of GEOSAT members' remote sensing data processing systems are also considered.

Source record↗

Biogeochemistry of Pond B (Savannah River Site, South Carolina, USA): Water column and Sediments

Pond B at Savannah River Site (SRS, South Carolina) is a monomictic reservoir that received SRS R reactor cooling water from 1961–1964. Previous studies conducted between the 1980s–1990s on the water column and sediments of Pond B measured trace amounts of Pu (33 MBq 238Pu and 430 MBq 239,240Pu), 241Am, and 137Cs. Since then, the pond has been relatively isolated and the radionuclide concentrations have not been monitored over time. Herein, about 30 years after the last publication on Pond B, we are re-evaluating the geochemistry and radionuclide distribution within Pond B at five locations along a horizontal transect from the inlet to outlet. In addition, we are conducting the first analysis of the microbial community composition. This data package consists of water column measurements (1) using a multi-probe sonde, (2) plutonium isotopes and total concentrations, (3) total organic/inorganic carbon concentrations, (4) trace metals and major ions concentrations, and (6) microbial community composition. Sediment measurements include (1) plutonium isotopes and total concentrations and (2) microbial community composition.For sediment core and porewater, please see other Pond B data package (ess-dive-60d2352a4495472-20200615T203925174).The data in this package will be submitted for peer review in 2023.

54 ENVIRONMENTAL SCIENCES↗

WWAO-WSWC Workshop Report 2019 Final

EXECUTIVE SUMMARY The Western States Water Council (WSWC) and the NASA Western Water Applications Office (WWAO) hosted a joint workshop on technology transfer for water management in the Western U.S. The goals of the workshop were to understand how different agencies approach the technology transfer and research to operations (R2O) process, identify best practices, and discuss existing barriers to successful technology infusion into operational water resource management systems at the state and federal level. The workshop took place August 7-9, 2019 in Irvine, CA. Key outcomes of the meeting include the following:• U.S. Rep. Grace Napolitano provided opening remarks for the workshop, where she highlighted the critical value of water data and the importance of collaboration between state and federal agencies in working to advance the use of water data in water management, planning and policy. • A total of 33 participants (including remote participants) were part of the workshop. They included principal investigators and project teams supported by NASA (Cyanobacteria Assessment Network, Evapotranspiration for Western States, Evaporative Stress Index, the Airborne Snow Observatory, Satellite-based Snow Water Equivalent in the Sierra Nevadas, and Fallowed Area Mapping) as well as representatives from federal (USGS, NOAA, USBR, EPA) and state (CA, WY, OR, NE) agency partners. • One main outcome of the meeting was the consensus that successful transitions of new applications and new technologies into operations require careful planning, effective communication within and across institutions, resources and considerable time investments. In addition, there was broad agreement that significant lead time is often required to allow for identification of financial and technical resources to sustain operational use of new data, information and tools.• The meeting included remarks from U.S. Rep. Napolitano and discussions during presentations and breakout groups about key opportunities to develop best practices and streamline the technology transfer process. • For example, one key set of best practices that emerged revolved around the the importance of building trust and establishing clear lines of communication between the research and operational institutions. The conversations led to defining two key components of trust-building. The first aspect is purely technical. It requires effectively demonstrating that the proposed application meets the end user’s needs in terms of accuracy, format, resolution, latency, metadata and documentation. The second aspect of building trust involves developing sustained, productive and mutually-beneficial relationships with the partner operational agency. The best practices presented here span both the technical as well as the relational aspects of cultivating trust. • This workshop served as a first step in developing a broader community discussion around R2O in western water management. Many of the best practices and lessons learned described in this report represent starting places for action within the WWAO, WSWC and our colleagues’ institutions. • Effective implementation of the best practices that emerged from this workshop will require sustained investments of time, resources and transition planning. In recognition of this, the WSWC and the WWAO proposed continuation of discussions begun at the workshop through a series of semi-annual or annual workshops.

Wilardson, Tony↗

Applying Magnetic Curvature to MMS Data to Identify Thin Current Sheets Relative to Tail Reconnection

Thin current sheets (TCSs) have been postulated to be a necessary precondition for reconnection onset. Magnetic reconnection X-lines in the magnetotail have been observed to be more common duskward of midnight. We take advantage of the MMS tetrahedral formation during the 2017–2020 MMS tail seasons to calculate the thickness of the cross-tail neutral sheet relative to ion gyroradius. While a similar technique was applied to Cluster data, current sheet thickness over a broader range of radial distances has not been robustly explored before this study. We compare our analysis to recent theories regarding mechanisms of tail current sheet thinning and to recent simulations. We find MMS spent more than twice as long in ion-scale TCSs in the pre-midnight sector than post-midnight, despite nearly even plasma sheet dwell time. The dawn-dusk asymmetry in the distribution of Ion Diffusion Regions, as previously reported in relation to regions of TCSs, is also analyzed.

79 ASTRONOMY AND ASTROPHYSICS↗

User Manual for MC 2 -3 Gamma Library Generation

This report provides the documentation for the revised procedure to generate the MC 2 -3 gamma library with the latest versions of PreGAMMA and GenGAMMA which have recently been updated to fix the program errors and inconsistent data processing for some isotopes identified in a recent verification and validation study of the MC 2 -3 gamma library. A few associated errors associated with gamma processing were also identified and fixed in the MC 2 -3 code. Addressing the changes in MC 2 -3, the procedure to generate the PMATRX and GAMISO datasets is discussed as well. The input data of PreGAMMA and GenGAMMA are discussed in detail using sample input data. In addition, the structure and formats of the MC 2 -3 gamma library are provided in detail.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Disruption Mitigation Solutions for Long Pulse Tokamaks (Final Technical Report)

The project "Disruption Mitigation Solutions for Long Pulse Tokamaks" was a collaborative effort between ORNL, GA, and UCSD. The main goal of the project was to study the injection of shattered cryogenic pellets (SPI) as a method of reducing wall damage from global tokamak plasma instabilities called disruptions. This work was primarily carried out in the JET tokamak in the UK. The team already had extensive experience studying PSI in the medium sized DIII-D tokamak in the US, but adding data from the larger JET tokamak enabled more confident extrapolation to the even larger planned ITER tokamak in France. Each of the collaborating institutions focused on different aspects of SPI disruption mitigation. The UCSD collaboration focused on the volume recombination of post-disruption runaway electron (RE) beams by massive hydrogen injection. Disruptions can sometimes result in the formation of toroidal (ring shaped) beams of highly energetic (relativistic) electron beams, which can cause serious local wall damage, even in present-day tokamaks. A promising method to reduce wall damage from the RE beams is to inject massive amounts of H 2 or D 2 into the beams using SPI. although the precise method by which the injected H 2 reducses RE wall damage is still being investigated, it seems clear that a necessary and required step for the reduction to occur is for the H 2 injection to cause volume recombination (free electron density reduction) of the background cold plasma surrounding the fast electron beam. The UCSD collaboration focused on answering the question of if this recombination could be achievable in the future reactor-size tokamak ITER using realistic levels of H 2 injection. A model capturing the most essential physics was developed and was constrained using both DIII-D and JET data. This model was then used to extrapolate to ITER. It was predicted that RE beam recombination should be achievable in ITER, although in the worst-case scenari (a 10 MA Re beam in ITER), recombination is barely achieved within the maximum allowed levels of H 2 injection.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Computer Simulations to Study Diffraction Effects of Stacking Faults in Beta-SiC: II. Experimental Verification: Experimental Verification - 2

Earlier results from computer simulation studies suggest a correlation between the spatial distribution of stacking errors in the Beta-SiC structure and features observed in X-ray diffraction patterns of the material. Reported here are experimental results obtained from two types of nominally Beta-SiC specimens, which yield distinct XRD data. These samples were analyzed using high resolution transmission electron microscopy (HRTEM) and the stacking error distribution was directly determined. The HRTEM results compare well to those deduced by matching the XRD data with simulated spectra, confirming the hypothesis that the XRD data is indicative not only of the presence and density of stacking errors, but also that it can yield information regarding their distribution. In addition, the stacking error population in both specimens is related to their synthesis conditions and it appears that it is similar to the relation developed by others to explain the formation of the corresponding polytypes.

Pujar, Vijay V.↗

Lunar and Planetary Science XXXV: Ordinary and Enstatite Chondrites

The session "Ordinary and Enstatite Chondrites" included the following reports:The Distribution of Molybdenum in the Indarch EH4 Chondrite; Cosmic-Ray Exposure Age and Heliocentric Distance of the Parent Body of E Chondrites ALH 85119 and MAC 88136; Further Observations of Fe-60-Ni-60 and Isotopic Systems in Sulfides from Enstatite Chondrites; Thermal Metamorphism in L Chondrites: Implications of Percent Mean Deviation in Olivine and Pyroxene; Cooling Rates and the Mn-53-Cr-53 Isotopic System of Yamato 86753, an Equilibrated Ordinary Chondrite; Production Rates of Cosmogenic Nuclides in the Knyahinya L-Chondrite; Preliminary Mineralogical Data from the Saratov (L4) Primitive Ordinary Chondrite; Phosphate Minerals in Semarkona; A Textural Comparison of Chondrules and Smelter-derived Dust: Implications Regarding Formation Conditions; and Modification of the Van Schmus & Wood Petrologic Classification for Lithic Fragments in the Chondritic Breccia Rumuruti.

Source record↗

Lunar and Planetary Science XXXV: Martian Meteorites: Petrology

The session "Martian Meteorites: Petrology: included the following reports:Volatile Behavior in Lunar and Terrestrial Basalts During Shock: Implications for Martian Magmas; Problems with a Low-Pressure Tholeiitic Magmatic History for the Chassigny Dunite; Fast Cooling History of the Chassigny Martian Meteorite; Rehomogenized Interstitial and Inclusion Melts in Lherzolitic Shergottite ALH 77005: Petrologic Significance; Compositional Controls on the Formation of Kaersutite Amphibole in Shergottite Meteorites; Chemical Characteristics of an Olivine-Phyric Shergottite, Yamato 980459; Pb-Hf-Sr-Nd Isotopic Systematics and Age of Nakhlite NWA 998; Noble Gases in Two Samples of EETA 79001 (Lith. A); Experimental Constraints on the Iron Content of the Martian Mantle; and Mars as the Parent Body for the CI Carbonaceous Chondrites: New Data.

Source record↗

Data Quality Screening Service

A report describes the Data Quality Screening Service (DQSS), which is designed to help automate the filtering of remote sensing data on behalf of science users. Whereas this process often involves much research through quality documents followed by laborious coding, the DQSS is a Web Service that provides data users with data pre-filtered to their particular criteria, while at the same time guiding the user with filtering recommendations of the cognizant data experts. The DQSS design is based on a formal semantic Web ontology that describes data fields and the quality fields for applying quality control within a data product. The accompanying code base handles several remote sensing datasets and quality control schemes for data products stored in Hierarchical Data Format (HDF), a common format for NASA remote sensing data. Together, the ontology and code support a variety of quality control schemes through the implementation of the Boolean expression with simple, reusable conditional expressions as operands. Additional datasets are added to the DQSS simply by registering instances in the ontology if they follow a quality scheme that is already modeled in the ontology. New quality schemes are added by extending the ontology and adding code for each new scheme.

Strub, Richard↗

Comprehensive Data Analysis and Analytic Method Development for PBX9501 Material (FY2019 Annual Report of Aging and Lifetimes Program)

In the polymer bonded explosive (PBX) 9501, a binder consisting of 2.5 wt% nitroplasticizer (NP) and 2.5 wt% Estane R 5703 (Estane) is combined with 94.9 wt% of the high-explosive HMX and 0.1 wt% stabilizer. Because of its flexibility and tensile strength, this binder lowers the sensitivity and improves the manufacturability of PBX 9501. However, like many plasticizers comprised of low molecular weight components, NP has a tendency to diffuse out of the PBX 9501 matrix and can decompose at moderate temperatures into reactive byproducts, such as NO, NO 2 , H 2 O, and HNO x . Through oxidation and hydrolysis, these molecules can further degrade NP and Estane, ultimately degrading the properties of PBX 9501. While gaseous molecules can readily diffuse out of the PBX 9501 charges, the intermediates with lower volatility are more likely trapped in the condensed phase inside the charges and, in a closed system, will co-exist with Estane for an extended period of time creating an ongoing reactive environment. Understanding the rates of formation for these volatiles and intermediates during the NP degradation is therefore a critical prerequisite for understanding the long-term stability of polymeric binders used in munition systems. To work toward this ultimate goal, in the past year, we have conducted comprehensive studies on the physical properties of NP and finished three-year long aging experiment to understand the aging behavior of NP under thermal treatment. Important results are summarized in this annual report. Although NP is widely used in the DOE complex, their physical properties are rather scattered and inconsistent in the open literature. For example, there are at least two widely different values, 14.5°C and -15°C, for the melting point of NP. Although it is known that NP is a eutectic 50:50 mixture of BDNPA and BDNPF, their eutectic phase diagram is not well documented. Furthermore, the effect of temperature on the miscibility between water and eutectic BDNPA/F mixture is rarely reported. To fill these knowledge gaps, a large set of BDNPA/F mixtures with BDNPA concentration ranging from 0 to 100 wt% was analyzed using DSC techniques. In addition to determining the eutectic melt point as -25°C, a phase diagram of the BDNPA/F system was constructed from -30°C to 45°C. With this phase diagram, the phase transition temperatures and composition can be readily found for the BDNPA/F mixtures with various mass ratios.

36 MATERIALS SCIENCE↗

J&L #1 Well-Pennsylvania Oriskany Characterization

Dataset for this database page represents data from technical report "Computed Tomography Scanning and Geophysical Measurements of Appalachian Basin Core from the Jones and Laughlin #1 Well, Beaver County PA " Sharma, M; Paronish, T.; Mitchell, N.; Crandall, D.; Neubaum, J. Computed Tomography Scanning and Geophysical Measurements of Appalachian Basin Core from the Jones and Laughlin #1 Well, Beaver County PA; DOE.NETL-2023.3889; NETL Technical Report Series; U.S. Department of Energy, National Energy Technology Laboratory: Morgantown, WV, 2023; p 37.

Appalachian Basin↗

Investigating Application of LiDAR for Nuclear Power Plants

Many evaluation, assessment, and modeling tasks at nuclear power plants require spatial in-formation; this often requires physical visits to locations within the facility because the 2D or 3D schematics and current models do not contain enough detail or do not capture as-built and real-world conditions. These visits require extensive manual labor for not only the requesting party, but also support groups, such as security. Light Detection and Ranging (LiDAR) mapping is trying to solve that problem by providing very detailed 3D models for low costs. However, the use of these models can be very limited because either component reference information is missing and too costly to add or there is no way to extract specific spatial data needed for other tools. This report outlines two main efforts. First, to reduce the effort of “Tagging” data in large 3D models, a general Application Programming Interface (API) was developed to import a variety of existing plant database information into a 3D-visualization engine. Filters allow the user to have only zone-specific items listed; then, they can simply click and assign the information to a specific spot or component in the 3D model. The second part of the work is the development of an interface for importing pieces from the3D-LiDAR model into other systems needed for modeling and simulation, outlined around fire modeling. This interface allows for the retrieval of item location and boundaries, enabling the auto generation of models for varying tools.

3D Modelling↗