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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 739 records · Page 41
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Challenges in correlating oxygen stable isotope ratios of hydrates on uranium ore concentrates to process waters

Exchange of oxygen stable isotopes (δ 18 O values) between precipitation waters and uranium oxides is governed by thermodynamics or kinetics. It has been assumed that meteoric waters can be related to precipitation waters in uranium ore concentrates and their calcination and reduced uranium oxide products. With this assumption, the δ 18 O values of uranium materials could provide forensic signatures that identify the production history and geolocation of nuclear materials. To further exploit the potential of δ 18 O values in nuclear material analysis, this study examines the oxygen stable isotope exchange in two UOCs, magnesium diuranate (MDU) and sodium diuranate (SDU). MDU and SDU were synthesized from solutions of uranyl nitrate hexahydrate using precipitation waters with unique oxygen isotope compositions. The structures of the MDU and SDU were analyzed using powder X-ray diffraction (p-XRD) and thermal mass loss curves, while the δ 18 O values of waters generated during thermal decomposition were analyzed using a thermogravimetric analyzer coupled to an isotope ratio infrared spectrometer (TGA-IRIS). By p-XRD, the MDU was uniform and amorphous across all syntheses with residual crystalline material incorporated as a minor component. Combined with the TGA results, all of the MDU is likely amorphous MgU 2 O 7 ·3H 2 O with MgO impurities present throughout. In contrast, the SDU synthesis resulted in multiple phases with many samples exhibiting crystalline phases including a combination of Na(UO 2 ) 4 O 2 (OH) 5 ·5H 2 O and Na 2 (UO2) 6 O 4 (OH) 6 ·8H 2 O with a Na 2 U 2 O 7 minor phase. A small fraction of the SDU samples were amorphous with no crystalline XRD peaks observed. Mass loss curves of the SDU samples revealed that the amorphous samples contained inclusions of similar crystalline phases compared to the crystalline materials. The uniformity of the MDU samples enabled highly reproducible measurements of δ 18 O values of the water vapor yielded for two dehydration events at 170 °C and 500 °C. In contrast, the multiphase composition of the SDU samples resulted in poor reproducibility in δ 18 O values. In conclusion, neither system revealed any correlation between the δ 18 O values of precipitation water, and the waters released during dehydration of the UOCs.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
NASA NTRS2001

Structure and Variability of Water Vapor in the Upper Troposphere and Lower Stratosphere

Upper-tropospheric humidity (UTH) has been synoptically mapped via an algorithm that rejects small-scale undersampled variance, which is intrinsic to asymptotic measurements of water vapor, cloud, and other convective properties. Mapped distributions of UTH have been used, jointly with high-resolution Global Cloud Imagery (GCI), to study how the upper troposphere is humidified. The time-mean distribution of UTH is spatially correlated to the time-mean distribution of cold cloud fraction (eta)(sub c) (T < than 230 K). Regions of large UTH coincide with regions of large eta(sub c), which mark deep convection. They also coincide with regions of reduced vertical stability, in which the vertical gradient of theta is weakened by convective mixing. Coldest cloud cover is attended convective overshoots above the local tropopause, which is simultaneously coldest and highest. Together, these features reflect the upper-troposphere being ventilated by convection, which mixes in moist air from lower levels. Histograms of UTH and eta(sub c) have been applied to construct the joint probability density function, which quantifies the relationship between these properties. The expected value of UTH in convective regions is strongly correlated to the expected value of eta(sub c). In ensembles of asymptotic samples, the correlation between epsilon[UTH] and epsilon[eta(sub c)] exceeds 0.80. As these expectations reflect the most likely values, the strong correlation between epsilon[UTH] and epsilon[eta(sub c)] indicates that the large-scale organization of UTH is strongly shaped by convective pumping of moisture from lower levels. The same relationship holds for unsteady fields - even though, instantaneously, those fields are comprised almost entirely of small-scale convective structure. The spatial autocorrelation of UTH, constructed at high resolution from overpass data along ascending and descending tracks of the orbit, is limited to only a couple of degrees in the horizontal. This mirrors the spatial autocorrelation of eta(sub c), which likewise operates coherently on short scales. The short correlation scale of UTH, which reflects the scale of individual convective systems, is comparable to the spacing of retrievals from MLS. These scales are undersampled in the asynoptic measurements. Despite their prevalence, the mapping algorithm described above successfully recovers synoptic behavior operating coherently on large scales. It reveals eastward migration of anomalous UTH from the Indian ocean to the central Pacific, in association with the modulation of convection by the Madden-Julian oscillation. Additional information is contained in the original extended abstract.

Salby, Murry L.↗
DOE OSTI2020

Preliminary Study of Potential Utilization of Triassic Rift Basins for Long-Term Carbon Sequestration

Triassic rift basins of the eastern United States present a potential option for long–term carbon dioxide (CO 2 ) sequestration. Exposed and buried basins are located near large point CO 2 sources. Because of their similar origins, comparable fill successions indicate a level of reproducibility that can be conveyed between basins. The thick rock successions of the exposed Culpeper and Gettysburg basins served as proxies for understanding of the basin sequences. Their study allowed recognition of five mappable assemblages of rock types, herein termed lithofacies associations. These lithofacies associations were formed by alluvial fan, braided and meandering streams and marginal and distal lake depositional processes.Stratigraphic architecture of the lithofacies associations within exposed basins suggests a vertical succession that consists of an initial coarse-grained fluvial succession that is progressively replaced upward and basinward by finer grained lacustrine deposits. Along the faulted margins of the basins alluvial fans transitioning to fluvial delta deposits reflect lateral progradation and contemporaneous lateral components of the basin filling.To test the model devised in exposed basins, facies associations were developed for the buried Taylorsville Basin. This basin preserves over 8,000 feet of Triassic rocks that are concealed beneath more than 2,000 feet of Cretaceous and Tertiary Coastal Plain sediments. Composition and stratigraphic architecture of these rocks are similar to those observed in exposed basins. Infilling of the basin was the result of vertical aggradation and lateral progradation of coarse-grained to fine-grained facies. Based upon study of outcrops in the Culpeper and Gettysburg basins, groups of recurring lithologic facies were identified as the fundamental constructs of the basin’s sediment infilling. These groups of facies, termed lithofacies associations, represent an amalgamation of lithologic components from broadly similar depositional systems. These lithologic associations were then extrapolated into the exposed and buried portions of the Taylorsville basins. This effort determined that Triassic rift basins provide several avenues for potential study of geologic sequestration of carbon. The characteristic rift basin succession in the basins presents possible reservoir targets within the marginal fluvial deposits. Furthermore, intrusive and extrusive mafic bodies present a potential source of fracture porosity that could serve as CO 2 reservoirs. Porosity values from thin section analysis of exposed basin samples are higher in alluvial fan and braided fluvial lithofacies. Porosity is highest in samples that show less compaction, due to a lack of ductile lithic fragments and/or higher stratigraphic position. Log data from the Taylorsville Basin indicates that porosity and permeability values in basin marginal fluvial strata are elevated. Near the center of the basin, porosity and permeability values are greatly reduced, primarily owing to the fine-grained character of the lacustrine deposits. Some Triassic basins also contain thick intervals of concordant extrusive and intrusive mafic igneous rocks. These igneous bodies are potential CO 2 reservoirs for several reasons. Firstly, extrusive lava flows provide potential storage in the layers of primary porosity that occur in the vesicules formed at the top of lava flows. Secondly, both lava flows and subsurface igneous sills exhibit extensive fracture porosity produced by the rapid cooling of the flows and intrusions. Thirdly, these igneous rocks are mafic in composition, and studies have shown that iron- and magnesium-rich mafic rocks provide sequestration opportunities through carbonate remineralization. Lastly, extrusive and intrusive igneous rocks are invariably preserved within fine-grained lake deposits. These lacustrine sediments can serve as a fine-grained confining layer that encases the igneous rocks both above and below.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2025

The XMM Cluster Survey: automating the estimation of hydrostatic mass for large samples of galaxy clusters – I. Methodology, validation, and application to the SDSSRM-XCS sample

ABSTRACT We describe features of the X-ray: Generate and Analyse (xga) open-source software package that have been developed to facilitate automated hydrostatic mass ($M_{\rm hydro}$) measurements from XMM X-ray observations of clusters of galaxies. This includes describing how xga measures global, and radial, X-ray properties of galaxy clusters. We then demonstrate the reliability of xga by comparing simple X-ray properties, namely the X-ray temperature and gas mass, with published values presented by the XMM Cluster Survey (XCS), the Ultimate XMM eXtragaLactic survey project (XXL), and the Local Cluster Substructure Survey (LoCuSS). xga measured values for temperature are, on average, within 1 per cent of the values reported in the literature for each sample. xga gas masses for XXL clusters are shown to be ${\sim }$10 per cent lower than previous measurements (though the difference is only significant at the $\sim 1.8\sigma$ level), LoCuSS $R_{2500}$ and $R_{500}$ gas mass re-measurements are 3 per cent and 7 per cent lower, respectively (representing 1.5$\sigma$ and 3.5$\sigma$ differences). Like-for-like comparisons of hydrostatic mass are made to LoCuSS results, which show that our measurements are $10{\pm }3~{{\rm per\ cent}}$ ($19{\pm }7~{{\rm per\ cent}}$) higher for $R_{2500}$ ($R_{500}$). The comparison between $R_{500}$ masses shows significant scatter. Finally, we present new $M_{\rm hydro}$ measurements for 104 clusters from the Sloan Digital Sky Survey (SDSS) DR8 redMaPPer XCS sample (SDSSRM-XCS). Our SDSSRM-XCS hydrostatic mass measurements are in good agreement with multiple literature estimates, and represent one of the largest samples of consistently measured hydrostatic masses. We have demonstrated that xga is a powerful tool for X-ray analysis of clusters; it will render complex-to-measure X-ray properties accessible to non-specialists.

Turner, D. J. (ORCID:0000000196581396)↗
DOE OSTI2022

Surrogate modeling for efficiently, accurately and conservatively estimating measures of risk

We present a surrogate modeling framework for conservatively estimating measures of risk from limited realizations of an expensive physical experiment or computational simulation. Risk measures combine objective probabilities with the subjective values of a decision maker to quantify anticipated outcomes. Given a set of samples, we construct a surrogate model that produces estimates of risk measures that are always greater than their empirical approximations obtained from the training data. These surrogate models limit over-confidence in reliability and safety assessments and produce estimates of risk measures that converge much faster to the true value than purely sample-based estimates. We first detail the construction of conservative surrogate models that can be tailored to a stakeholder’s risk preferences and then present an approach, based on stochastic orders, for constructing surrogate models that are conservative with respect to families of risk measures. Our surrogate models include biases that permit them to conservatively estimate the target risk measures. We provide theoretical results that show that these biases decay at the same rate as the L 2 error in the surrogate model. Numerical demonstrations confirm that risk-adapted surrogate models do indeed overestimate the target risk measures while converging at the expected rate.

42 ENGINEERING↗
DOE OSTI2022

Spatial Study 2021: Sample-Based Surface Water Chemistry and Organic Matter Characterization across Watersheds in the Yakima River Basin, Washington, USA (v3)

This dataset supports a broader study examining the drivers of spatial variability in sediment respiration rates in the Yakima River Basin. The dataset provides geochemistry and organic matter characterization data generated from samples collected during the same two-week period at 47 sites within multiple rivers throughout the Yakima River Basin in Washington, USA. Related sensor data are published at https://data.ess-dive.lbl.gov/datasets/doi:10.15485/1892054. This data package was originally published September 2022. It was updated May 2023 (modified files) and November 2024 (new and modified files). See the change history section in the readme for more details. This dataset is comprised of one main data folder containing (1) file-level metadata; (2) data dictionary; (3) field metadata; (4) dissolved inorganic carbon (DIC), dissolved organic carbon (DOC; reported as non-purgeable organic carbon; NPOC), total nitrogen (TN), total suspended solids (TSS), ions, and benzene polycarboxylic acid (BPCA) concentration and stable isotope data; (5) averaged values from water chemistry data; (6) surface water sampling protocol; (7) sensor protocol (8) readme; (9) methods codes; (10) international generic-sample number (IGSN) mapping file; and (11) folder of high resolution characterization of organic matter via 12 Tesla Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) through the Environmental Molecular Sciences Laboratory (EMSL; https://www.pnnl.gov/environmental-molecular-sciences-laboratory). This folder contains two subfolders, one containing the .xml data files and the other containing instructions for using Formultitude (https://github.com/PNNL-Comp-Mass-Spec/Formultitude) and an R script to process the data based on the user's specific needs. All files are .csv, .pdf, .R, .ref, or .xml. We thank the United States Forest Service, Washington Department of Natural Resources, Washington Department of Fish and Wildlife, Washington State Parks, Confederated Tribes and Bands of the Yakama Nation, and Cowiche Canyon Conservancy for access to field locations where these samples were collected. We also thank the Yakama Nation Tribal Council and Yakama Nation Fisheries for working with us to facilitate sample collection and optimization of data usage according to their values and worldview.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2003

Actinides in the Source of Cosmic Rays and the Present Interstellar Medium

The abundances of the actinide elements in the cosmic rays can provide critical constraints on the major sites of their acceleration. Using recent calculations of the r-process yields in core collapse supernovae, we have determined the actinide abundances averaged over various assumed time intervals for their supernova generation and their cosmic-ray acceleration. Using standard Galactic chemical evolution models, we have also determined the expected actinide abundances in the present interstellar medium. From these two components, we have calculated the U/Th and other actinide abundances expected in the supernova-active cores of superbubbles, as a function of their ages and mean metallicity resulting from dilution with interstellar cloud debris. Then, using observations of the fractions of Galactic supernovae that occur in superbubbles and in the rest of the interstellar medium, we calculate the expected actinide abundances in cosmic rays accelerated by Galactic supernovae. We find that the current measurements of actinide/Pt-group and preliminary estimates of the UPuCm/Th ratio in cosmic rays are all consistent with the expected values if superbubble cores have mean metallicities of around 3 times solar. Such metallicities are quite comparable to the superbubble core metallicities inferred from other cosmic-ray observations. Future, more precise measurements of these ratios with experiments such as ECCO are needed to provide a better measure of the mean source metallicity sampled by the local Galactic cosmic rays. Measurements of the cosmic- ray actinide abundances have been favorably compared with the protosolar ratio, inferred from present solar system abundances, to infer that the cosmic rays are accelerated from the general interstellar medium. We suggest, however, that such an inference is not valid because the expected actinide abundances in the present interstellar medium are very different from the protosolar values, which sampled the interstellar medium 4.5 Gyr ago and included an additional fresh ejecta component from a neighboring supernova.

Lingenfelter, R. E.↗
NASA NTRS1976

Lunar sample analysis

Room temperature internal friction (Q sup-1) values of the 0.00002-0.00003 range were achieved with lunar rock 70215,85 by thorough outgassing procedures in ultrahigh vacuum. Results are presented on the temperature dependence of Q sup -1 as measured in the range 25 C to 600 C along with some data on the change in Q sup -1 with pressure in ultrahigh vacuum. The temperature dependence shows the existence of an internal friction peak at around 200 C followed at high temperatures by an extensive region with flat Q sup -1 (approximately 0.001); the work at ultrahigh vacuum shows decreases in the internal friction with decreases in ambient pressure even in the range 10 to the -8 to 10 to the -10 power torr.

Tittmann, B. R.↗
NASA NTRS1997

Reactive Nitrogen and its Correlation with O3 and CO Over the Pacific in Winter and Early Spring

Measurements of NO, NO(y), O3, and CO were made during NASA's Global Tropospheric Experiment/Pacific Exploratory Mission-West B (GTE/PEM-West B) carried out over the western Pacific in February and March 1994. NO(x) was calculated from NO using a photostationary state model ((NO(x)(sub mc)). Correlations between these species are presented, and some insights into the sources of NO(x) and NO(y) are described. The boundaries between the lower, middle, and upper troposphere have been defined at potential temperatures of 311 K and 328 K, which correspond to the geometric altitudes of about 5 and 9 km at 30degN. Enhancements in the mixing ratios of NO(y) and CO were observed in the lower and middle troposphere. A positive correlation was found between these two species suggesting that the high NO(y) values were due to anthropogenic emissions over the continental surface. On the other hand, O3 increased little with increase in CO. As a result, NO(y)/O3 ratios were higher in air more influenced by pollution. NO(y), values in 55 and 28% of the air masses sampled in the lower and middle troposphere, respectively, were higher than the clean free tropospheric NO(y)-O3 range when O3 values simultaneously observed were used. High (NOx)mc/NOy ratios between 0.15 and 0.3 were found in the boundary layer with relatively low mixing ratios of CO and NOy during the three flights. These air masses were transported from a higher altitude (approximately 5 km) and a higher latitude (approximately 50degN) within a few days. The peroxyacetyl nitrate (PAN)/NO(y) ratios were generally high (approximately 0.4) in these air masses, and the thermal decomposition of PAN was a probable source of NO(x). In the middle troposphere the (NO(x))mc mixing ratio did not generally increase with NO(y) or CO, suggesting that the transport of air masses affected by anthropogenic emissions did not increase the NO(x) level significantly. In the upper troposphere, very minor effects from the continental surface sources were seen in the CO mixing ratio. By contrast, NO(y) values in 33% of the air masses were higher than those expected when stratospheric air intrusion is assumed to be a single source of NO(y) based on NO(y)-O3 correlation analyses. This result suggests significant free tropospheric NO(y) sources, namely exhaust from the aircraft and NO production by lightning activity. In fact, spikes in the (NO(x))(sub m)c mixing ratios were observed near the aircraft corridor south of Tokyo at an altitude of 10 km. These two free tropospheric NO(x) sources were considered to be important in determining the levels of the upper tropospheric NO(x) and NO(y) during PEM-West B.

Koike, M.↗
NASA NTRS1986

Determination of U, V, and W from single station Doppler radar radial velocities

The ST/MST (stratosphere troposphere/mesosphere stratosphere troposphere) clear air Doppler radar, or wind profiler, is an important tool in observational meteorology because of its capability to remote observe dynamic parameters of the atmosphere. There are difficulties in transforming the observed radial velocities into meteorological wind components. How this problem has been treated in the past is reviewed, and some of the analysis is recast to a form more suited to the high diagnostic abilities of a number of fixed beam configurations with reference to a linear wind field. The results, in conjunction with other works which treats problems such as the effects of finite sample volumes in the presence of nonhomogeneous atmospheric reflectivity, have implications important to the design of both individual MST/ST radars and MST/ST radar networks. The key parameters to uncoupling terms in the scaling equations are w sub x and w sub y. Whenever the stratiform condition, which states that these two parameters are negligible, is satisfied, a five beam ST radar may determine unbiased values of u, v, and w for sample volumes directly above the radar. The divergence and partial deformation of the flow may also be determined. Three beam systems can determine w and w sub z, but are unable to obtain u and v wind components uncontaminated by vertical sheer terms, even when the stratiform condition is satisfied.

Clark, W. L.↗
NASA NTRS2010

Photon Counting Using Edge-Detection Algorithm

New applications such as high-datarate, photon-starved, free-space optical communications require photon counting at flux rates into gigaphoton-per-second regimes coupled with subnanosecond timing accuracy. Current single-photon detectors that are capable of handling such operating conditions are designed in an array format and produce output pulses that span multiple sample times. In order to discern one pulse from another and not to overcount the number of incoming photons, a detection algorithm must be applied to the sampled detector output pulses. As flux rates increase, the ability to implement such a detection algorithm becomes difficult within a digital processor that may reside within a field-programmable gate array (FPGA). Systems have been developed and implemented to both characterize gigahertz bandwidth single-photon detectors, as well as process photon count signals at rates into gigaphotons per second in order to implement communications links at SCPPM (serial concatenated pulse position modulation) encoded data rates exceeding 100 megabits per second with efficiencies greater than two bits per detected photon. A hardware edge-detection algorithm and corresponding signal combining and deserialization hardware were developed to meet these requirements at sample rates up to 10 GHz. The photon discriminator deserializer hardware board accepts four inputs, which allows for the ability to take inputs from a quadphoton counting detector, to support requirements for optical tracking with a reduced number of hardware components. The four inputs are hardware leading-edge detected independently. After leading-edge detection, the resultant samples are ORed together prior to deserialization. The deserialization is performed to reduce the rate at which data is passed to a digital signal processor, perhaps residing within an FPGA. The hardware implements four separate analog inputs that are connected through RF connectors. Each analog input is fed to a high-speed 1-bit comparator, which digitizes the input referenced to an adjustable threshold value. This results in four independent serial sample streams of binary 1s and 0s, which are ORed together at rates up to 10 GHz. This single serial stream is then deserialized by a factor of 16 to create 16 signal lines at a rate of 622.5 MHz or lower for input to a high-speed digital processor assembly. The new design and corresponding hardware can be employed with a quad-photon counting detector capable of handling photon rates on the order of multi-gigaphotons per second, whereas prior art was only capable of handling a single input at 1/4 the flux rate. Additionally, the hardware edge-detection algorithm has provided the ability to process 3-10 higher photon flux rates than previously possible by removing the limitation that photoncounting detector output pulses on multiple channels being ORed not overlap. Now, only the leading edges of the pulses are required to not overlap. This new photon counting digitizer hardware architecture supports a universal front end for an optical communications receiver operating at data rates from kilobits to over one gigabit per second to meet increased mission data volume requirements.

Gin, Jonathan W.↗
DOE OSTI2022

Temporal Study 2021-2022: Sample-Based Surface Water Chemistry and Organic Matter Characterization across Watersheds in the Yakima River Basin, Washington, USA (v3)

This dataset supports a broader study examining the drivers of temporal variability in sediment respiration rates in the Yakima River Basin. The dataset provides geochemistry and organic matter characterization data generated from samples collected at weekly or bi-weekly intervals at six sites across the Yakima River Basin in Washington, USA. Related sensor data will be published separately and can be used to link sediment respiration rates to biogeochemical processing rates. The data package was originally published in November 2022. It was updated in November 2023 (v2; modified files) and April 2025 (new and modified files). See the change history section in readme for more details. For details on how to navigate data packages generated by this project, see https://data.ess-dive.lbl.gov/portals/PNNLRiverCorridorSFA/About. This dataset is comprised of one main data folder containing (1) file-level metadata; (2) data dictionary; (3) field metadata; (4) dissolved inorganic carbon (DIC), dissolved organic carbon (DOC; reported as non-purgeable organic carbon; NPOC), total nitrogen (TN), total suspended solids (TSS), and ions; (5) averaged values from water chemistry data; (6) surface water sampling protocol; (7) sensor protocol; (8) readme; (9) methods codes; (10) international generic sample number (IGSN) mapping file; and (11) folder of high resolution characterization of organic via 12 Tesla Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) through the Environmental Molecular Sciences Laboratory (EMSL; https://www.pnnl.gov/environmental-molecular-sciences-laboratory). This folder contains two subfolders, one containing the .xml data files and the other containing instructions for using Formularity (https://omics.pnl.gov/software/formularity) and an R script to process the data based on the user's specific needs. All files are .csv, .pdf, .R, .ref, or .xml. We acknowledge the Yakama Nation as owners and caretakers of the lands where we collected our data. We thank the Confederated Tribes and Bands of the Yakama Nation Tribal Council and Yakama Nation Fisheries for working with us to facilitate sample collection and optimization of data usage according to their values and worldview.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

MESOSCALE THERMAL TRANSPORT MEASUREMENTS OF MULTI-PHASE AND POROUS NUCLEAR FUELS USING A SQUARE-WAVE PULSE THERMOREFLECTANCE TECHNIQUE

The safe and efficient operation of nuclear reactors require accurate knowledge of peak temperatures in the fuel assemblies. The temperature profiles are governed by the thermal transport properties of the fuel, namely the thermal conductivities (k) and thermal diffusivities (D). These values can be very difficult to measure as they are known to vary considerably from the measured bulk values of the fresh fuel, and quickly degrade with increasing burnup [1 -3] . Laser-based techniques have been effectively used for non-destructive and non-contact thermal transport measurements of a wide variety of materials, including nuclear materials [4-6] that would otherwise prove too hazardous or difficult to measure otherwise. In this study, a new thermoreflectance technique known as square-pulse transient thermoreflectance (SPTR) is described and used to determine the mesoscale thermal diffusivity of both uranium sesquisilicide (U3Si2) and uranium nitride (UN) phases in a composite fuel with micron level spatial resolution [7]. This technique employs a rapid train of square-wave pulses from an excitation laser to create a periodic heat flux on a gold coated sample surface. Surface adsorption results in transient film temperatures and hence rapid fluctuations in thermoreflectance that can be measured via a detection laser coupled with a digital oscilloscope. The lasers are coaxially focused on the sample surface, allowing for a sample measurement area of a single convolved laser spot size (~2 µm). A sensitivity analysis was conducted to identify key measurement parameters of this technique using reference materials with a range of thermal conductivities comparable to those of both ceramic, composite, and metal nuclear fuel types (1.4 – 27.2 W/m-K). The reference materials were measured using the new technique as well as a spatial-domain thermoreflectance technique (SDTR) previously reported for a comparison [8]. Additionally, measurements of several U3Si2 and UN phase regions of a polished UN/U3Si2 (70/30 vol.%) sample were taken, and the resulting calculated D values are reported, with both techniques showing excellent agreement between samples. This technique was used to scan a multiphase region at 5 micron increments to generate a local diffusivity map, demonstrating the utility of the techniques for measuring thermal transport properties in specimens with precipitates and secondary phases. Furthermore, the technique is currently being applied to measure thermal properties of Fast Flux Test Reactor (FFTR) irradiated metal fuel specimens whose porous microstructure make it very difficult to measure using other techniques. Comparison of the local scale measurements are compared with the pre-irradiated fuel samples to show the degradation of thermal transport in fuels due to pores from fission gas bubbles and other irradiation induced defects.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Effects of surface treatments on ABS mechanical properties from fused filament fabrication

This paper examines the influence of surface treatments on the mechanical properties of acrylonitrile butadiene styrene (ABS) samples printed by fused filament fabrication (FFF). Prior efforts have applied brushing, painting, solvent dipping, infiltration, and vapor smoothing as post-processing surface treatments to improve the mechanical properties of FFF components. Additionally, because FFF can produce components with undesirable surface roughness, mechanical abrasion, epoxy coating, and acetone treatment may increase tensile strength by decreasing stress concentrations. Ridged surface texture may provide desirable tribological or handling properties. Based on these opportunities, this paper investigates abrasive media blasting, epoxy coating, acetone immersion, and ridged texturing surface treatments on the tensile strength and other mechanical properties of FFF ABS samples. ASTM D638-14 Type-I samples were printed, treated on all sample sides, and tested. From tensile tests, the elastic modulus, tensile strength, and fracture strain for both the untreated and treated ABS samples were calculated. For each sample, the surface finish and fracture macromorphology were observed with optical microscopy and the roughness values for the surface finish were calculated from profilometer data. Furthermore, samples were submerged in water and weighed periodically to measure mass changes due to water absorption. From surface profilometry and optical miscopy data, mechanical media blasting, epoxy coating, and immersion in all concentrations of acetone decreased surface roughness. Overall, on average, grit blasting with large beads and epoxy coating led to 2.6% and 1.2% increases in tensile strength, respectively; immersion in 40% acetone led to a 1.9% increase in tensile strength while treatment in 60% and 80% acetone decreased tensile strength by 4.9% and 1.9%, respectively. The study concludes that only grit blasting with large beads, immersion in 60% acetone, and the ridged texture significantly affected the tensile strength.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Efficient 3D Molecular Design with an E(3) Invariant Transformer VAE

This work introduces a three-dimensional (3D) invariant graph-to-string transformer variational autoencoders (VAE) (Vagrant) for generating molecules with accurate density functional theory (DFT)-level properties. Vagrant learns to model the joint probability distribution of a 3D molecular structure and its properties by encoding molecular structures into a 3D-aware latent space. Directed navigation through this latent space implicitly optimizes the 3D structure of a molecule, and the latent embedding can be used to condition a generative transformer to predict the candidate structure as a one-dimensional (1D) sequence. Additionally, we introduce two novel sampling methods that exploit the latent characteristics of a VAE to improve performance. Here, we show that our method outperforms comparable 3D autoregressive and diffusion methods for predicting quantum chemical property values of novel molecules in terms of both sample quality and computational efficiency.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

A catalogue of white dwarfs in Gaia EDR3

ABSTRACT We present a catalogue of white dwarf candidates selected from Gaia Early Data Release 3 (EDR3). We applied several selection criteria in absolute magnitude, colour, and Gaia quality flags to remove objects with unreliable measurements while preserving most stars compatible with the white dwarf locus in the Hertzsprung–Russell diagram. We then used a sample of over 30 000 spectroscopically confirmed white dwarfs and contaminants from the Sloan Digital Sky Survey (SDSS) to map the distribution of these objects in the Gaia absolute magnitude–colour space. Finally, we adopt the same method presented in our previous work on Gaia Data Release 2 (DR2) to calculate a probability of being a white dwarf (PWD) for ≃1.3 million sources that passed our quality selection. The PWD values can be used to select a sample of ${\simeq} 359\,000$ high-confidence white dwarf candidates. We calculated stellar parameters (effective temperature, surface gravity, and mass) for all these stars by fitting Gaia astrometry and photometry with synthetic pure-H, pure-He, and mixed H–He atmospheric models. We estimate an upper limit of 93 per cent for the overall completeness of our catalogue for white dwarfs with G ≤ 20 mag and effective temperature (Teff) > 7000 K, at high Galactic latitudes (|b| > 20°). Alongside the main catalogue we include a reduced proper motion extension containing ${\simeq} 10\,200$ white dwarf candidates with unreliable parallax measurements that could, however, be identified on the basis of their proper motion. We also performed a cross-match of our catalogues with SDSS Data Release 16 (DR16) spectroscopy and provide spectral classification based on visual inspection for all resulting matches.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRSDate not supplied

Microbes Share Rides Too: Updating Encapsulated Bioburden Estimate Values in Electronic Parts Common to Class D Missions

As NASA develops more planetary protection missions that are Category III and in the Class D/rideshare mission platform, there is an increasing reliance on estimation of prelaunch bioburden to understand needs for burn up and breakup analyses or other methods to meet pre-launch bioburden levels. Current levels estimated for the encapsulated bioburden of semiconductor parts cited by NASA have been based on estimates of semiconductor manufacturing approaches from the 1970s that do not incorporate the evolving cleanliness of semiconductor manufacturing since that time. This investigation will focus on direct sampling of semiconductor parts for encapsulated bioburden values, drawing upon Goddard’s strength in EEE parts, supply chain management, destructive parts analysis and existing local planetary protection lab facilities to prepare and measure encapsulated bioburden at a statistically significant level for standard electronics parts common to known Class D/rideshare platforms.

planetary protection↗
NASA NTRS2015

Comprehensive Non-Destructive Conservation Documentation of Lunar Samples Using High-Resolution Image-Based 3D Reconstructions and X-Ray CT Data

Established contemporary conservation methods within the fields of Natural and Cultural Heritage encourage an interdisciplinary approach to preservation of heritage material (both tangible and intangible) that holds "Outstanding Universal Value" for our global community. NASA's lunar samples were acquired from the moon for the primary purpose of intensive scientific investigation. These samples, however, also invoke cultural significance, as evidenced by the millions of people per year that visit lunar displays in museums and heritage centers around the world. Being both scientifically and culturally significant, the lunar samples require a unique conservation approach. Government mandate dictates that NASA's Astromaterials Acquisition and Curation Office develop and maintain protocols for "documentation, preservation, preparation and distribution of samples for research, education and public outreach" for both current and future collections of astromaterials. Documentation, considered the first stage within the conservation methodology, has evolved many new techniques since curation protocols for the lunar samples were first implemented, and the development of new documentation strategies for current and future astromaterials is beneficial to keeping curation protocols up to date. We have developed and tested a comprehensive non-destructive documentation technique using high-resolution image-based 3D reconstruction and X-ray CT (XCT) data in order to create interactive 3D models of lunar samples that would ultimately be served to both researchers and the public. These data enhance preliminary scientific investigations including targeted sample requests, and also provide a new visual platform for the public to experience and interact with the lunar samples. We intend to serve these data as they are acquired on NASA's Astromaterials Acquisistion and Curation website at http://curator.jsc.nasa.gov/. Providing 3D interior and exterior documentation of astromaterial samples addresses the increasing demands for accessability to data and contemporary techniques for documentation, which can be realized for both current collections as well as future sample return missions.

Blumenfeld, E. H.↗