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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 145 records · Page 8

Windshear Prediction

Windshear microbursts and extreme air turbulence caused by sudden intense changes in wind direction or speed are difficult to detect and thus dangerous to air traffic. They have been positively identified as the cause of 28 aviation accidents that claimed 491 lives. Many groups are investigating ways to detect and predict windshear. The Federal Aviation Consulting Services, Ltd. (FACS) is applying artificial intelligence to windshear prediction. FACS' artificial intelligence based airline dispatcher program is intended as a backup not a replacement for human dispatcher. It would incorporate the same data that a human would request to make a decision and then draw a conclusion using the same rules of logic as the human expert.

Source record↗

High-Latitude Thermosphere Neutral Density Response to Solar Wind Dynamic Pressure Enhancement

We examine the response of the thermosphere to the impact of solar wind dynamic pressure enhancements using observations and global magneto-hydrodynamics (MHD) simulations by the OpenGGCM model. Combining neutral density observations from the Challenging Minisatellite Payload (CHAMP) and the Gravity Recovery and Climate Experiment (GRACE) satellites with simultaneous Poynting flux measurements from the Defense Meteorological Satellite Program (DMSP) F16, we find that thermospheric density as well as downward Poynting flux intensified shortly after a sudden enhancement of the solar wind dynamic pressure. The intensification manifested mostly on the dayside high-latitude region with peak intensity in the vicinity of the noon and prenoon cusp. OpenGGCM modeling results show that the ionospheric Joule heating increased abruptly in response to the sudden enhancement of the dynamic pressure in the same region as the observed Poynting flux and neutral density enhancements. The modeling results show that the enhanced Joule heating coincides, both in time and location, with the appearance of a pair of high-latitude localized field-aligned currents (FACs) in the cusp region. The FACs intensified and extended azimuthally. Coincidental with the solar wind dynamic pressure enhancement, the y component of the interplanetary magnetic field (IMF) By became strongly positive and, in addition, had some large fluctuations. We explore the separate and combined effects of the dynamic pressure and IMF By perturbations, with specifically designed simulation experiments that isolate the effect of each solar wind parameter. We find that the dynamic pressure enhancement is the primary source for the Joule heating and neutral density enhancements, but the IMF By modulates the level of enhancement.

magneto-hydrodynamics↗

Prediction of High-Latitude Ionospheric Electrodynamics Using the Machine Learning Based Auroral Ionospheric Electrodynamics Model

We introduce a new framework for Machine-Learning (ML) based Auroral Ionosphere Model (ML-AIM). ML-AIM solves a current continuity equation by utilizing the ML model of Field Aligned Currents (FACs) of Kunduri et al., 2020 (https://doi.org/10.1029/2020JA027908), the FAC-derived aurora conductance model of Robinson et al., 2020 (https://doi.org/10.1029/2020JA028008), and the solar irradiance conductance model of Moen & Brekke (1993). The ML-AIM inputs are 60min time histories of solar wind plasma, interplanetary magnetic fields (IMF), and geomagnetic indices, and its outputs are ionospheric electric potential, electric fields, Pederson/Hall currents, and Joule Heating. We conduct two ML-AIM simulations for a weak geomagnetic activity on 14 May 2013 and a geomagnetic storm on 7-8 September 2017. ML-AIM produces reasonable ionospheric potential patterns such as two cell convection patterns and the enhancement of electric potentials during active times. The cross polar cap potential drop from ML-AIM is also comparable to the ones from the Weimer 2005 model, Super Dual Auroral Radar Network (SuperDARN), and Defense Meteorological Satellite Program (DMSP) F17 observations. ML-AIM is unique in a sense that it predicts ionospheric responses to the time-varying solar wind and geomagnetic conditions, while other traditional empirical model like Weimer 2005 is designed to provide static ionospheric conditions under steady solar wind/IMF conditions. In future, ML-AIM will include ML-based models of aurora precipitation and ionospheric conductance, improving its performance during active times.

H. K. Connor↗

Test Plan for the Third Reirradiation Heating Test of Fuel Particles from AGR 2 Compact 5-4-2

Post irradiation examination (PIE) and high-temperature heating tests of tristructural isotropic (TRISO)-coated fuel particles and compacts from the second Advanced Gas Reactor (AGR) irradiation experiment, AGR 2, are in progress. This test plan describes the reirradiation and subsequent high-temperature testing of loose fuel particles obtained from AGR 2 Compact 5-4-2. To simulate exposed kernels, four of these particles have been cracked at Oak Ridge National Laboratory (ORNL) to produce localized defects that extend through the TRISO layers (outer pyrolytic carbon, silicon carbide [SiC], and inner pyrolytic carbon) while keeping these layers in place and maintaining the shape and integrity of the kernel. To generate short-lived fission products, these particles will be reirradiated in the Neutron Radiography Reactor (NRAD) at the Hot Fuel Examination Facility (HFEF) at the Idaho National Laboratory (INL) Materials and Fuels Complex prior to heating testing in the Fuel Accident Condition Simulator (FACS) furnace at HFEF. FACS testing will be at 1200°C, and fission products released from the reirradiated particles will be measured. The intention of the test is to assess the retention of short-lived fission products I-131 (t1/2 = 8.02 days) and Xe-133 (t1/2 = 5.2 days) in the fuel kernels at high temperatures.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Test Plan for Reirradiation and 1200°C Heating Test of AGR-3/4 Compact 8-1

Post irradiation examination (PIE) and heating tests of tristructural isotropic (TRISO)-coated fuel particles, fuel compacts, and graphite from Advanced Gas Reactor (AGR) irradiation experiment AGR 3/4 are in progress. The AGR-3/4 test train consisted of twelve separate capsules irradiated in the northeast flux trap of the Advanced Test Reactor (ATR) at Idaho National Laboratory (INL) from December 14, 2011, to April 12, 2014 (Collin 2015b). This test plan describes the reirradiation and subsequent heating test of AGR-3/4 Compact 8-1. One of the main goals of this test is to assess the retention of short-lived fission products I-131 (t1/2 = 8.02 d) and Xe-133 (t1/2 = 5.2 d) in fuel kernels. To generate short-lived fission products, the compact will first be reirradiated in the Neutron Radiography Reactor (NRAD). Following reirradiation, the compact will be removed from NRAD, gamma scanned on the Precision Gamma Scanner (PGS), and then loaded into the Fuel Accident Condition Simulator (FACS) furnace for heating at 1200°C. Fission gases and condensable fission products released from the compact will be collected in the Fission Gas Monitoring System (FGMS) and the FACS condensation plates, respectively. The planned uses of AGR-3/4 compacts (including heating testing and destructive analysis) are discussed in the AGR-3/4 PIE plan (Demkowicz 2017). Significant portions of this plan have been completed and additional samples are being used for purposes not captured in that plan.

42 ENGINEERING↗

Test Plan for the 1600°C Heating Test of AGR-3/4 Compact 3-2

Post irradiation examination (PIE) and heating tests of tristructural isotropic (TRISO)-coated fuel particles, fuel compacts, and graphite from the Advanced Gas Reactor (AGR) irradiation experiment AGR 3/4 is in progress. The AGR-3/4 test train consisted of twelve separate capsules irradiated in the northeast flux trap of the Advanced Test Reactor (ATR) at Idaho National Laboratory (INL) from December 14, 2011, to April 12, 2014 (Collin 2015). This test plan describes the heating test of AGR-3/4 Compact 3-2. The heating test will involve heating the compact in the Fuel Accident Condition Simulator (FACS) furnace to a peak temperature of 1600°C while collecting fission products released from the compact for subsequent analysis. One of several features of AGR-3/4 that set it apart from AGR-1 and AGR-2 is the incorporation of 20 designed-to-fail (DTF) particles in each compact. The fuel kernels in the DTF particles were coated only with a thin (20 µm thick) pyrocarbon layer having high anisotropy such that the coating should most-likely fail during the irradiation, resulting in up to 20 exposed kernels per compact. One of the main goals of this test is to assess the retention of fission products in the exposed kernels and the surrounding graphitic matrix material comprising the compact. Future heating tests will expose AGR-3/4 compacts at different temperatures in the FACS furnace (Demkowicz 2017). Additionally, the ability may be developed to heat re-irradiated AGR-3/4 compacts to allow a determination of the retention of short-lived fission products I-131 and Xe-133.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Test Plan for the 1400°C Heating Test of AGR-3/4 Compact 10-4

Post irradiation examination (PIE) and heating tests of tristructural isotropic (TRISO)-coated fuel particles, fuel compacts, and graphite from Advanced Gas Reactor (AGR) irradiation experiment AGR 3/4 is in progress. The AGR-3/4 test train consisted of twelve separate capsules irradiated in the northeast flux trap of the Advanced Test Reactor (ATR) at Idaho National Laboratory (INL) from December 14, 2011, to April 12, 2014 (Collin 2015). This test plan describes the heating test of AGR-3/4 Compact 10-4. The test will involve heating the compact in the Fuel Accident Condition Simulator (FACS) furnace to a peak temperature of 1400°C while collecting fission products released from the compact for subsequent analysis. One of several features of AGR-3/4 that set it apart from AGR-1 and AGR-2 is the incorporation of 20 designed-to-fail (DTF) particles in each compact. The fuel kernels in the DTF particles were coated only with a thin (20 µm thick) pyrocarbon layer having high anisotropy such that the coating would most-likely fail during the irradiation, resulting in up to 20 exposed kernels per compact. One of the main goals of this test is to assess the retention of fission products in the exposed kernels and the surrounding graphitic matrix material comprising the compact. Future heating tests will expose a number of AGR-3/4 compacts at different temperatures in the FACS furnace (Demkowicz 2017). Additionally, the ability may be developed to heat re-irradiated AGR-3/4 compacts to allow a determination of the retention of short-lived fission products I-131 and Xe-133.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Test Plan for Cyclic Heating of AGR-3/4 Compact 8-1

Post irradiation examination (PIE) and heating tests of tristructural isotropic (TRISO)-coated fuel particles, fuel compacts, and graphite from Advanced Gas Reactor (AGR) irradiation experiment AGR 3/4 are in progress. The AGR-3/4 test train consisted of twelve separate capsules irradiated in the northeast flux trap of the Advanced Test Reactor (ATR) at Idaho National Laboratory (INL) from December 14, 2011, to April 12, 2014 (Collin 2015). The plan for the reirradiation in the Neutron Radiography Reactor (NRAD) and subsequent 1200°C heating test of AGR-3/4 Compact 8-1 in the Fuel Accident Condition Simulator (FACS) furnace was described previously in (Stempien 2019). One of the main goals of that test was to assess the retention of short-lived fission products I-131 (t1/2 = 8.02 d) and Xe-133 (t1/2 = 5.2 d) in fuel kernels. Xe-133 release had ostensibly leveled off after approximately 80 hours. An issue with the condensation plate exchanges forced this test to be stopped after approximately 96 hours. The issue was resolved, and the test was restarted by heating FACS back up to 1200°C. During this reheating phase, an additional release of Xe-133, approximately equal in size to the release during the initial heating to 1200°C, was detected in the fission gas monitoring system (FGMS). To test whether this release is related to temperature transients (i.e. from heating and reheating), this new plan will describe three additional temperature cycles.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Test Plan for the Reirradiation Heating Test of Fuel Particles from AGR 2 Compact 5-4-2

Post irradiation examination (PIE) and high-temperature heating tests of tristructural isotropic (TRISO)-coated fuel particles and compacts from the second Advanced Gas Reactor (AGR) irradiation experiment, AGR 2, are in progress. This test plan describes the reirradiation and subsequent high-temperature testing of loose fuel particles obtained from AGR 2 Compact 5-4-2. To simulate exposed kernels, four of these particles have been cracked at Oak Ridge National Laboratory (ORNL) to produce localized defects that extend through the TRISO layers (outer-pyrolytic carbon [OPyC], silicon carbide [SiC], and inner-pyrolytic carbon [IPyC]) while keeping these layers in-place and maintaining the shape and integrity of the kernel. To generate short-lived fission products, these particles will be reirradiated in the Neutron Radiography (NRAD) reactor prior to heating testing in the Fuel Accident Condition Simulator (FACS) furnace. FACS testing will be at 1600°C, and fission products released from the reirradiated particles will be measured. The intention of the test is to assess the retention of short-lived fission products I-131 (t1/2 = 8.02 days) and Xe-133 (t1/2 = 5.2 days) in the fuel kernels at accident temperatures.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

BISON Simulated and Experimental Fission Product Release Comparisons from Reradiated AGR-3/4 Compacts During High Temperature Heating Tests

The fuel performance modeling code BISON was used to predict the release of fission products iodine-131 (131I), xenon-133 (133Xe), and krypton-85 (85Kr) from four re-irradiated AGR-3/4 fuel compacts containing tristructural isotropic (TRISO) coated particles during high-temperature isothermal heating tests. The AGR-3/4 fuel compacts were irradiated in the Advanced Test Reactor (ATR) as part of the third and fourth series of planned experiments to support the Advanced Gas Reactor (AGR) Program. They were subsequently stored and re-irradiated in the Neutron Radiography (NRAD) reactor for approximately five days and then stored for another five to eight days before being subjected to isothermal heating tests in the Fuel Accident Condition Simulation (FACS furnace) for 200 to 300 hours at temperatures between 1000°C and 1600°C to evaluate fission product release at elevated temperatures. New nuclide-specific fission product source term models for the three nuclides of interest were developed using the reactor multiphysics code Griffin and implemented into BISON to support this work. The new source term models were incorporated into coupled compact- and particle-scale BISON simulations, which predict spatially- and temporally-resolved radionuclide generation, radioactive decay, transport, and release throughout the entire irradiation history, including the initial ATR irradiation, NRAD re-irradiations, FACS heating tests, and intermediate periods spent in storage. The experimentally measured fission product release from the heating tests were compared to modeling release predictions calculated by BISON to evaluate how well the code compares to experimental results. Overall, the experimental measured and BISON predicted comparative release results varied but generally agreed to within 5 particle equivalents. Comparative release results identified general observations to take into consideration to help refine future models and reduce uncertainties associated with both the measurement results and predictive results. This includes developing new uranium oxycarbide (UCO) specific kernel diffusivities for the three isotopes examined to more accurately reflect the material properties of the fuel form. Deriving new diffusivities will aid in producing a more informed BISON model

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

A pipeline for targeted metagenomics of environmental bacteria

Background:Metagenomics and single cell genomics provide a window into the genetic repertoire of yet uncultivated microorganisms, but both methods are usually taxonomically untargeted. The combination of fluorescence in situ hybridization (FISH) and fluorescence activated cell sorting (FACS) has the potential to enrich taxonomically well-defined clades for genomic analyses. Methods:Cells hybridized with a taxon-specific FISH probe are enriched based on their fluorescence signal via flow cytometric cell sorting. A recently developed FISH procedure, the hybridization chain reaction (HCR)-FISH, provides the high signal intensities required for flow cytometric sorting while maintaining the integrity of the cellular DNA for subsequent genome sequencing. Sorted cells are subjected to shotgun sequencing, resulting in targeted metagenomes of low diversity. Results: Pure cultures of different taxonomic groups were used to (1) adapt and optimize the HCR-FISH protocol and (2) assess the effects of various cell fixation methods on both the signal intensity for cell sorting and the quality of subsequent genome amplification and sequencing. Best results were obtained for ethanol-fixed cells in terms of both HCR-FISH signal intensity and genome assembly quality. Our newly developed pipeline was successfully applied to a marine plankton sample from the North Sea yielding good quality metagenome assembled genomes from a yet uncultivated flavobacterial clade. Conclusions: With the developed pipeline, targeted metagenomes at various taxonomic levels can be efficiently retrieved from environmental samples. The resulting metagenome assembled genomes allow for the description of yet uncharacterized microbial clades.

59 BASIC BIOLOGICAL SCIENCES↗

Exposed Kernel Heating Tests

Presentation on cracked AGR-2 TRISO particles and AGR-3/4 compacts subjected to FACS tests with and without prior reirradiation.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Post-irradiation Heating Tests of As-Irradiated AGR-3/4 TRISO Fuel Compacts

Four post-irradiation heating tests of fuel compacts from the U.S. Advanced Gas Reactor (AGR)-3/4 irradiation experiment were completed. In addition to tristructural isotropic (TRISO)-coated driver fuel, each compact contained designed-to-fail (DTF) particles with fuel kernels coated only in pyrocarbon so as to simulate exposed kernels. Tests at 1600/1700°C, 1400°C, and 1200°C were performed to measure fission product release as a function of time and temperature. Silver release was highest in the 1200°C test, supporting the observation that silver release rates are highest in the 1100–1300°C range. Compared to tests of AGR-1 compacts with no exposed kernels, the Cs-134 and Kr-85 releases were noticeably higher in AGR-3/4. The exposed kernels’ contributions to Eu and Sr release are inconclusive, due to the difficulty in distinguishing among the combined effects of higher irradiation temperatures in these particular AGR-3/4 compacts, the presence of the DTF particles, and the Fuel Accident Condition Simulator (FACS) test temperatures. These data can be used to make inferences about fission product retention in exposed kernels as a function of time and temperature.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Photophysical and Time‐resolved Infrared Properties of Long‐Lived Rhenium(I) 4,5‐Diazafluorene Tricarbonyl Chromophores

This report investigates the synthesis, structural characterization, fundamental molecular photophysics, electrochemistry, UV-Vis spectroelectrochemistry, and time-resolved infrared spectroscopic properties of eight [fac-Re(dafR)(CO) 3 L] 0/+ complexes, where R=ethyl [(dedaf); 1, 3, 5, 7] or H [(dafH); 2, 4, 6, 8] and L=Cl− (1, 2), imidazole [(Im); 3, 4], 4-ethylpyridine [(4-Etpy); 5, 6], or pyridine [(py); 7, 8]. Universally, 1–8 yield higher energy photoluminescence (PL) emission bands and higher PL quantum yields (up to 53 %) than the classic 2,2’-bipyridine (bpy) and 1,10-phenanthroline (phen) ligated Re(I) tricarbonyl complexes. The excited state lifetimes of 1–8 lie between those corresponding to the bpy and phen derivatives, ranging from 120 and 1300 ns at room temperature. Combinations of reductive UV-Vis spectroelectrochemistry, transient absorption spectroscopy, and time-resolved infrared spectroscopy consistently assigned the lowest excited states in 1–8 being of metal-to-ligand charge transfer (MLCT) character. These new ReI MLCT chromophores follow classic energy gap law behavior and possess the characteristics necessary for serving as valuable photosensitizers suitable to energize excited state electron and energy transfer photochemistry.

Charge transfer↗

Photochemical CO 2 Reduction Using Rhenium(I) Tricarbonyl Complexes with Bipyridyl-Type Ligands with and without Second Coordination Sphere Effects

In this study, the effect of phenyl, phenol, aniline, amino, and CF 3 substituents of the 2,2'-bipyridine ligand in fac-ReCl(L)(CO) 3 (L=2,2'-bipyridine derivative) catalysts on photochemical CO 2 reduction in dimethylacetamide is examined, in order to understand the structure-function relationships and to compare the catalytic activities with the previously published electrochemical results. All complexes including ReCl(bpy)(CO) 3 have similar excited-state lifetimes and emission spectra, but complex 1 with the Ph-NH 2 moiety exhibits a significantly larger molar absorption coefficient for its metal-to-ligand charge transfer (MLCT) band. All complexes we tested produce CO with only a negligible amount of H 2 and formate in self-sensitized systems in the presence of triethanolamine (TEOA) and in some cases, BIH (1,3-dimethyl-2-phenyl-2,3-dihydro-1H-benzo[d]-imidazole). The presence of the Ph-NH 2 moiety (complex 1) has a beneficial effect on both electrochemical and photochemical activity, allowing a turnover number (TON) of 32 and 120 for photochemical CO production (without and with BIH, respectively). In the case of the Ph-OH group in the second coordination sphere (complexes 4 and 6), these complexes are active for photochemical CO 2 reduction, despite the formation of a stable 6-coordinate Re-OPh intermediate via reductive deprotonation as previously observed under electrochemical conditions. Overall, BIH accelerates the rate of formation of the one-electron reduced species (OERS) of the Re catalysts and allows higher turnover frequency (TOF) and TON for CO formation. The X-ray structures of complexes 1 and 4 were determined to have distorted octahedral Re centres, and show π-π stacking interactions with neighboring molecules as well as intramolecular hydrogen bonds to the internal chloride ligands. The unusually high absorptivity of the MLCT absorption of complex 1 has been explained by TD-DFT calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Efficient Phosphorescence from Naphthalenebenzimidizole-Coordinated Iridium(III) Chromophores

The electronic structure and photophysical properties of two phosphorescent iridium(III) cyclometalated complexes are introduced. The molecules were synthesized by cyclometalating the ligand 1,8-naphthalenebenzimidizole ( NBI ), to an iridium(III) metal center. Two NBI ligands were covalently attached along with a 1,10-phenanthroline (phen) ligand producing the [Ir( NBI ) 2 (phen)](PF 6 ) complex and three NBI ligands were used to prepare the corresponding tris -cyclometalate fac -Ir( NBI ) 3 . The optical properties of these new Ir III molecules were investigated using DFT calculations, photoluminescence spectroscopy, and transient absorption spectroscopy. The molecules at the heart of this study were discovered to contain long-lived ligand-localized triplet excited states on the NBI species, featuring energies suitable for bimolecular photochemical reactions. Both iridium(III) chromophores possess excellent light absorptivity in the visible region of the spectrum with high photoluminescence quantum efficiencies approaching 30 %.

14 SOLAR ENERGY↗

Single‐Cell Nanodroplet Processing Proteomics Pipeline for Analysis of Human‐Derived Microglia

Single-cell omics tools provide unique insights into heterogeneous cell populations and their responses to stimuli. For example, single-cell RNA sequencing has identified several transcriptionally distinct populations of microglia, which are resident immune cells of the central nervous system (CNS) that are responsive to CNS injury, infection, and neurodegeneration. To date, single-cell studies of microglia have focused on RNA-sequencing or cytometry by time of flight (CyTOF), which provide indirect readouts of protein abundance or quantification of a limited number of targets. Herein, we present a workflow based on FACS-assisted isolation, cryopreservation, and nanodroplet-based processing for single-cell mass spectrometry proteomics analysis of the postmortem human brain cortex-derived microglia. From a single microglial cell, 1039 proteins could be identified on average. As a proof-of-principle, we applied single-cell proteomics for exploring the heterogeneity of brain microglia at the cellular level. This pilot proteomics data partially recapitulates the prior microglia subtypes. Specifically, we determined that mitochondrial proteins, in particular members of NADH dehydrogenase (Complex I), cytochrome b-c1 (Complex III), cytochrome c oxidase (Complex IV), F1-ATPase (Complex V), and Na+/K+-ATPase complex, drive variation across microglia. This pipeline offers the potential for identifying functionally and analytically relevant protein targets for microglia in Alzheimer's disease and other neurological disorders.

59 BASIC BIOLOGICAL SCIENCES↗