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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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DOE OSTI2024

A Review of Remote Welding and Nondestructive Examination Technologies for the DOE Standard Canister

The U.S. Department of Energy (DOE) manages a wide variety of spent nuclear fuel (SNF) that poses a unique management challenge. To help address this challenge, the DOE Standard Canister (DOESC), designed to remain sealed during handling, storage, transportation, and disposal, was conceptualized as a standardized containment vessel to accommodate DOE-managed SNF. Since 1999, several welding and examination processes have been independently developed for the DOESC’s closure welds. However, neither the DOESC nor these processes have been realized in an operational capacity. This review paper seeks to present and compare previously developed DOESC closure weld, nondestructive examination, and repair processes and technologies. Specific processes developed for the Idaho Spent Fuel Facility, in preparation for the Yucca Mountain geological repository, and the recent Road-Ready Demonstration Project are discussed. Further, specific focus is given to how different operating constraints and the American Society of Mechanical Engineers Boiler and Pressure Vessel Code (BPVC) have driven certain welding and nondestructive examination requirements. Historical DOESC welding and examination strategies are assessed against current regulatory and BPVC requirements. The comparison of welding processes, technologies, and DOESC designs presented in this review paper will inform further construction efforts for other commercial and DOE-managed SNF containments, including the DOESC.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2011

Review: Waste-Pretreatment Technologies for Remediation of Legacy Defense Nuclear Wastes

The U.S. Department of Energy (DOE) is responsible for retrieving, immobilizing, and disposing of radioactive waste that has been generated during the production of nuclear weapons in the United States. The vast bulk of this waste material is stored in underground tanks at the Savannah River Site in South Carolina and the Hanford Site in Washington State. The general strategy for treating the radioactive tank waste consists of first separating the waste into high-level and low-activity fractions. This initial partitioning of the waste is referred to as pretreatment. Following pretreatment, the high-level fraction will be immobilized in a glass form suitable for disposal in a geologic repository. The low-activity waste will be immobilized in a waste form suitable for disposal at the respective site. This paper provides a review of recent developments in the application of pretreatment technologies to the processing of the Hanford and Savannah River radioactive tank wastes. Included in the review are discussions of 1) solid/liquid separations methods, 2) cesium separation technologies, and 3) other separations critical to the success of the DOE tank waste remediation effort. Also included is a brief discussion of the different requirements and circumstances at the two DOE sites that have in some cases led to different choices in pretreatment technologies.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2014

Molecular dynamics simulations of uranyl adsorption and structure on the basal surface of muscovite

Anthropogenic activities have led to an increased concentration of uranium on the Earth’s surface and potentially in the subsurface with the development of nuclear waste repositories. Uranium is soluble in groundwater, and its mobility is strongly affected by the presence of clay minerals in soils and in subsurface sediments. We use molecular dynamics simulations to probe the adsorption of aqueous uranyl (UO 2 2+ ) ions onto the basal surface of muscovite, a suitable proxy for typically ultrafine-grained clay phases. Model systems include the competitive adsorption between potassium counterions and aqueous ions (0.1 M and 1.0 M UO 2 Cl 2 , 0.1 M NaCl). We find that for systems with potassium and uranyl ions present, potassium ions dominate the adsorption phenomenon. Potassium ions adsorb entirely as inner-sphere complexes associated with the ditrigonal cavity of the basal surface. Uranyl ions adsorb in two configurations when it is the only ion species present, and in a single configuration in the presence of potassium. Finally, the majority of adsorbed uranyl ions are tilted less than 45° relative to the muscovite surface, and are associated with the Si 4 Al 2 rings near aluminum substitution sites.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2022

Inferring safety critical events from vehicle kinematics in naturalistic driving environment: Application of deep learning Algorithms

Advances in sensing technology has enabled the collection of countless terabytes of second-by-second kinematics data. Such data provides opportunities for real-time monitoring of driving behavior and identification of safety critical events (SCEs) including crashes and near crashes. The concept of volatility is relevant in this context, which identifies instability and erratic variations in driving behavior prior to involvement in SCEs. This study utilized vehicle kinematics from a large-scale naturalistic driving data to develop a deep learning approach based on 1D convolutional neural networks (CNN) for inferring SCEs. The data are unique in the sense that such accurate pre-crash data at high fidelity are not available in traditional crash repositories. This study contributes to the literature by providing a first attempt at predicting responses to SCEs by developing deep learning-based CNN architectures using novel driving volatility based kinematic thresholds for a sample of 9553 events. The key contribution lies in developing a volatility-based CNN input layout that is acceptable to CNN schemes and represents the motion kinematics such as speed, acceleration and volatility measures. Several 1D-CNN architectures were developed using layers, numbers of convolutions, layer patterns, and kernels. Shallow and deep architectures were tested, revealing higher accuracy of shallow architectures in detecting SCEs. The optimal number of epochs were identified using an early stopping method while the CNN performance was improved by increasing the number of epochs. The ensemble CNN had the highest predictive accuracy of 95.6% for detection of crashes and near crashes, which was 2.5% higher than the optimal CNN using 20% hold out test data. The ensemble CNN also outperformed classical machine learning models and model performance reported in past studies on detection of SCEs. Finally, these results have implications for identification of safety hotspots and providing real-time alerts and warnings in connected and highly automated vehicle environment including society of automotive engineers levels 3–5.

42 ENGINEERING↗
DOE OSTI2010

ASTROMETRY.NET: BLIND ASTROMETRIC CALIBRATION OF ARBITRARY ASTRONOMICAL IMAGES

We have built a reliable and robust system that takes as input an astronomical image, and returns as output the pointing, scale, and orientation of that image (the astrometric calibration or World Coordinate System information). The system requires no first guess, and works with the information in the image pixels alone; that is, the problem is a generalization of the 'lost in space' problem in which nothing-not even the image scale-is known. After robust source detection is performed in the input image, asterisms (sets of four or five stars) are geometrically hashed and compared to pre-indexed hashes to generate hypotheses about the astrometric calibration. A hypothesis is only accepted as true if it passes a Bayesian decision theory test against a null hypothesis. With indices built from the USNO-B catalog and designed for uniformity of coverage and redundancy, the success rate is >99.9% for contemporary near-ultraviolet and visual imaging survey data, with no false positives. The failure rate is consistent with the incompleteness of the USNO-B catalog; augmentation with indices built from the Two Micron All Sky Survey catalog brings the completeness to 100% with no false positives. We are using this system to generate consistent and standards-compliant meta-data for digital and digitized imaging from plate repositories, automated observatories, individual scientific investigators, and hobbyists. This is the first step in a program of making it possible to trust calibration meta-data for astronomical data of arbitrary provenance.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2012

SEARCHING FOR COMETS ON THE WORLD WIDE WEB: THE ORBIT OF 17P/HOLMES FROM THE BEHAVIOR OF PHOTOGRAPHERS

We performed an image search for 'Comet Holmes', using the Yahoo{exclamation_point} Web search engine, on 2010 April 1. Thousands of images were returned. We astrometrically calibrated-and therefore vetted-the images using the Astrometry.net system. The calibrated image pointings form a set of data points to which we can fit a test-particle orbit in the solar system, marginalizing over image dates and detecting outliers. The approach is Bayesian and the model is, in essence, a model of how comet astrophotographers point their instruments. In this work, we do not measure the position of the comet within each image, but rather use the celestial position of the whole image to infer the orbit. We find very strong probabilistic constraints on the orbit, although slightly off the Jet Propulsion Lab ephemeris, probably due to limitations of our model. Hyperparameters of the model constrain the reliability of date meta-data and where in the image astrophotographers place the comet; we find that {approx}70% of the meta-data are correct and that the comet typically appears in the central third of the image footprint. This project demonstrates that discoveries and measurements can be made using data of extreme heterogeneity and unknown provenance. As the size and diversity of astronomical data sets continues to grow, approaches like ours will become more essential. This project also demonstrates that the Web is an enormous repository of astronomical information, and that if an object has been given a name and photographed thousands of times by observers who post their images on the Web, we can (re-)discover it and infer its dynamical properties.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

The EB factory project. II. Validation with the Kepler field in preparation for K2 and TESS

Large repositories of high precision light curve data, such as the Kepler data set, provide the opportunity to identify astrophysically important eclipsing binary (EB) systems in large quantities. However, the rate of classical “by eye” human analysis restricts complete and efficient mining of EBs from these data using classical techniques. To prepare for mining EBs from the upcoming K2 mission as well as other current missions, we developed an automated end-to-end computational pipeline—the Eclipsing Binary Factory (EBF)—that automatically identifies EBs and classifies them into morphological types. The EBF has been previously tested on ground-based light curves. To assess the performance of the EBF in the context of space-based data, we apply the EBF to the full set of light curves in the Kepler “Q3” Data Release. We compare the EBs identified from this automated approach against the human generated Kepler EB Catalog of ∼2600 EBs. When we require EB classification with ⩾90% confidence, we find that the EBF correctly identifies and classifies eclipsing contact (EC), eclipsing semi-detached (ESD), and eclipsing detached (ED) systems with a false positive rate of only 4%, 4%, and 8%, while complete to 64%, 46%, and 32%, respectively. When classification confidence is relaxed, the EBF identifies and classifies ECs, ESDs, and EDs with a slightly higher false positive rate of 6%, 16%, and 8%, while much more complete to 86%, 74%, and 62%, respectively. Through our processing of the entire Kepler “Q3” data set, we also identify 68 new candidate EBs that may have been missed by the human generated Kepler EB Catalog. We discuss the EBF's potential application to light curve classification for periodic variable stars more generally for current and upcoming surveys like K2 and the Transiting Exoplanet Survey Satellite.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2010

SEARCH FOR INTERSTELLAR METHOXYACETONITRILE AND CYANOETHANOL: INSIGHTS INTO COUPLING OF CYANO- TO METHANOL AND AMMONIA CHEMISTRY

As part of an effort to study gas-grain chemical models in star-forming regions as they relate to molecules containing cyanide (-C{identical_to}N) groups, we present here a search for the molecules 2-cyanoethanol (OHCH{sub 2}CH{sub 2}CN) and methoxyacetonitrile (CH{sub 3}OCH{sub 2}CN) in the galactic center region SgrB2. These species are structural isomers of each other and are targeted to investigate the cross-coupling of pathways emanating from the photolysis products of methanol and ammonia with pathways involving cyano-containing molecules. Methanol and ammonia ices are two of the main repositories of the elements C, O, and N in cold clouds and understanding their link to cyanide chemistry could give important insights into prebiotic molecular evolution. Neither species was positively detected, but the upper limits we determined allow comparison to the general patterns gleaned from chemical models. Our results indicate the need for an expansion of the model networks to better deal with cyano-chemistry, in particular with respect to pathways including products of methanol photolysis. In addition to these results, the two main observational routes for detecting new interstellar molecules are discussed. One route is by decreasing detection limits at millimeter wavelength through spatial filtering with interferometric studies at the Atacama Large Millimeter Array (ALMA), and the second is by searching for intense torsional states at THz frequencies using the Herschel Space Observatory. 2-cyanoethanol and methoxyacetonitrile would both be good test beds for exploring the capabilities of ALMA and Herschel in the study of complex interstellar chemistry.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

THE IMPACT OF STARBURSTS ON THE CIRCUMGALACTIC MEDIUM

We present a study exploring the impact of a starburst on the properties of the surrounding circumgalactic medium (CGM): gas located beyond the galaxy's stellar body and extending out to the virial radius ({approx}200 kpc). We obtained ultraviolet spectroscopic data from the Cosmic Origins Spectrograph (COS) probing the CGM of 20 low-redshift foreground galaxies using background QSOs. Our sample consists of starburst and control galaxies. The latter comprises normal star-forming and passive galaxies with similar stellar masses and impact parameters as the starbursts. We used optical spectra from the Sloan Digital Sky Survey to estimate the properties of the starbursts, inferring average ages of {approx}200 Myr and burst fractions involving {approx}10% of their stellar mass. The COS data reveal highly ionized gas traced by C IV in 80%(4/5) of the starburst and in 17%(2/12) of the control sample. The two control galaxies with C IV absorbers differed from the four starbursts in showing multiple low-ionization transitions and strong saturated Ly{alpha} lines. They therefore appear to be physically different systems. We show that the C IV absorbers in the starburst CGM represent a significant baryon repository. The high detection rate of this highly ionized material in the starbursts suggests that starburst-driven winds can affect the CGM out to radii as large as 200 kpc. This is plausible given the inferred properties of the starbursts and the known properties of starburst-driven winds. This would represent the first direct observational evidence of local starbursts impacting the bulk of their gaseous halos, and as such provides new evidence of the importance of this kind of feedback in the evolution of galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2011

EVOLUTION, NUCLEOSYNTHESIS, AND YIELDS OF LOW-MASS ASYMPTOTIC GIANT BRANCH STARS AT DIFFERENT METALLICITIES. II. THE FRUITY DATABASE

By using updated stellar low-mass stars models, we systematically investigate the nucleosynthesis processes occurring in asymptotic giant branch (AGB) stars. In this paper, we present a database dedicated to the nucleosynthesis of AGB stars: FRANEC Repository of Updated Isotopic Tables and Yields (FRUITY). An interactive Web-based interface allows users to freely download the full (from H to Bi) isotopic composition, as it changes after each third dredge-up (TDU) episode and the stellar yields the models produce. A first set of AGB models, having masses in the range 1.5 {<=}M/M{sub Sun} {<=} 3.0 and metallicities 1 Multiplication-Sign 10{sup -3} {<=} Z {<=} 2 Multiplication-Sign 10{sup -2}, is discussed. For each model, a detailed description of the physical and the chemical evolution is provided. In particular, we illustrate the details of the s-process and we evaluate the theoretical uncertainties due to the parameterization adopted to model convection and mass loss. The resulting nucleosynthesis scenario is checked by comparing the theoretical [hs/ls] and [Pb/hs] ratios to those obtained from the available abundance analysis of s-enhanced stars. On the average, the variation with the metallicity of these spectroscopic indexes is well reproduced by theoretical models, although the predicted spread at a given metallicity is substantially smaller than the observed one. Possible explanations for such a difference are briefly discussed. An independent check of the TDU efficiency is provided by the C-stars luminosity function. Consequently, theoretical C-stars luminosity functions for the Galactic disk and the Magellanic Clouds have been derived. We generally find good agreement with observations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

PRESUPERNOVA EVOLUTION AND EXPLOSIVE NUCLEOSYNTHESIS OF ZERO METAL MASSIVE STARS

We present a new set of zero metallicity models in the range 13-80 M{sub Sun} together to the associated explosive nucleosynthesis. These models are fully homogeneous with the solar metallicity set we published in Limongi and Chieffi and will be freely available at the Online Repository for the FRANEC Evolutionary Output Web site. A comparison between these yields and an average star that represents the average behavior of most of the very metal-poor stars in the range -5.0 < [Fe/H] < -2.5 confirms previous findings that only a fraction of the elemental [X/Fe] may be fitted by the ejecta of standard core collapse supernovae.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

SWIFT X-RAY TELESCOPE MONITORING OF FERMI-LAT GAMMA-RAY SOURCES OF INTEREST

We describe a long-term Swift monitoring program of Fermi gamma-ray sources, particularly the 23 gamma-ray ''sources of interest''.We present a systematic analysis of the Swift X-Ray Telescope light curves and hardness ratios of these sources, and we calculate excess variability. We present data for the time interval of 2004 December 22 through 2012 August 31. We describe the analysis methods used to produce these data products, and we discuss the availability of these data in an online repository, which continues to grow from more data on these sources and from a growing list of additional sources. This database should be of use to the broad astronomical community for long-term studies of the variability of these objects and for inclusion in multiwavelength studies.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

CASSIS: The Cornell atlas of Spitzer/infrared spectrograph sources. II. HIGH-Resolution observations

The Infrared Spectrograph (IRS) on board the Spitzer Space Telescope observed about 15,000 objects during the cryogenic mission lifetime. Observations provided low-resolution (R=λ/Δλ≈60−127) spectra over ≈5−38 μm and high-resolution (R≈600) spectra over 10–37 μm. The Cornell Atlas of Spitzer/IRS Sources (CASSIS) was created to provide publishable quality spectra to the community. Low-resolution spectra have been available in CASSIS since 2011, and here we present the addition of the high-resolution spectra. The high-resolution observations represent approximately one-third of all staring observations performed with the IRS instrument. While low-resolution observations are adapted to faint objects and/or broad spectral features (e.g., dust continuum, molecular bands), high-resolution observations allow more accurate measurements of narrow features (e.g., ionic emission lines) as well as a better sampling of the spectral profile of various features. Given the narrow aperture of the two high-resolution modules, cosmic ray hits and spurious features usually plague the spectra. Our pipeline is designed to minimize these effects through various improvements. A super-sampled point-spread function was created in order to enable the optimal extraction in addition to the full aperture extraction. The pipeline selects the best extraction method based on the spatial extent of the object. For unresolved sources, the optimal extraction provides a significant improvement in signal-to-noise ratio over a full aperture extraction. We have developed several techniques for optimal extraction, including a differential method that eliminates low-level rogue pixels (even when no dedicated background observation was performed). The updated CASSIS repository now includes all the spectra ever taken by the IRS, with the exception of mapping observations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Methods of improving brain dose estimates for internally deposited radionuclides *

The US National Council on Radiation Protection and Measurements (NCRP) convened Scientific Committee 6–12 (SC 6–12) to examine methods for improving dose estimates for brain tissue for internally deposited radionuclides, with emphasis on alpha emitters. This Memorandum summarises the main findings of SC 6–12 described in the recently published NCRP Commentary No. 31, ‘Development of Kinetic and Anatomical Models for Brain Dosimetry for Internally Deposited Radionuclides’. The Commentary examines the extent to which dose estimates for the brain could be improved through increased realism in the biokinetic and dosimetric models currently used in radiation protection and epidemiology. A limitation of most of the current element-specific systemic biokinetic models is the absence of brain as an explicitly identified source region with its unique rate(s) of exchange of the element with blood. The brain is usually included in a large source region called Other that contains all tissues not considered major repositories for the element. In effect, all tissues in Other are assigned a common set of exchange rates with blood. A limitation of current dosimetric models for internal emitters is that activity in the brain is treated as a well-mixed pool, although more sophisticated models allowing consideration of different activity concentrations in different regions of the brain have been proposed. Here case studies for 18 internal emitters indicate that brain dose estimates using current dosimetric models may change substantially (by a factor of 5 or more), or may change only modestly, by addition of a sub-model of the brain in the biokinetic model, with transfer rates based on results of published biokinetic studies and autopsy data for the element of interest. As a starting place for improving brain dose estimates, development of biokinetic models with explicit sub-models of the brain (when sufficient biokinetic data are available) is underway for radionuclides frequently encountered in radiation epidemiology. A longer-term goal is development of coordinated biokinetic and dosimetric models that address the distribution of major radioelements among radiosensitive brain tissues.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2024

Roadmap on data-centric materials science

Science is and always has been based on data, but the terms ‘data-centric’ and the ‘4th paradigm’ of materials research indicate a radical change in how information is retrieved, handled and research is performed. It signifies a transformative shift towards managing vast data collections, digital repositories, and innovative data analytics methods. The integration of artificial intelligence and its subset machine learning, has become pivotal in addressing all these challenges. This Roadmap on Data-Centric Materials Science explores fundamental concepts and methodologies, illustrating diverse applications in electronic-structure theory, soft matter theory, microstructure research, and experimental techniques like photoemission, atom probe tomography, and electron microscopy. While the roadmap delves into specific areas within the broad interdisciplinary field of materials science, the provided examples elucidate key concepts applicable to a wider range of topics. The discussed instances offer insights into addressing the multifaceted challenges encountered in contemporary materials research.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Tabulated equations of state from models informed by chiral effective field theory

Abstract We construct four equation of state (EoS) tables, tabulated over a range of temperatures, densities, and charge fractions, relevant for neutron star applications such as simulations of neutron star mergers. The EoS are computed from a relativistic mean-field theory constrained by the pure neutron matter EoS from chiral effective field theory, inferred properties of isospin-symmetric nuclear matter, and astrophysical observations of neutron star structure. To model nuclear matter at low densities, we attach an EoS that models inhomogeneous nuclear matter at arbitrary temperatures and charge fractions. The four EoS tables we develop are available from the CompOSE EoS repository https://compose.obspm.fr/eos/297 and gitlab.com/ahaber/qmc-rmf-tables .

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Photometric Redshifts and Galaxy Clusters for DES DR2, DESI DR9, and HSC-SSP PDR3 Data

Photometric redshift (photoz) is a fundamental parameter for multi-wavelength photometric surveys, while galaxy clusters are important cosmological probes and ideal objects for exploring the dense environmental impact on galaxy evolution. We extend our previous work on estimating photoz and detecting galaxy clusters to the latest data releases of the Dark Energy Spectroscopic Instrument (DESI) imaging surveys, Dark Energy Survey (DES) and Hyper Suprime-Cam Subaru Strategic Program (HSC-SSP) imaging surveys and make corresponding catalogs publicly available for more extensive scientific applications. The photoz catalogs include accurate measurements of photoz and stellar mass for about 320, 293 and 134 million galaxies with r < 23, i < 24 and i < 25 in DESI DR9, DES DR2 and HSC-SSP PDR3 data, respectively. The photoz accuracy is about 0.017, 0.024 and 0.029 and the general redshift coverage is z < 1, z < 1.2 and z < 1.6, respectively for those three surveys. Furthermore, the uncertainty of the logarithmic stellar mass that is inferred from stellar population synthesis fitting is about 0.2 dex. With the above photoz catalogs, galaxy clusters are detected using a fast cluster-finding algorithm. A total of 532,810, 86,963 and 36,566 galaxy clusters with the number of members larger than 10 is discovered for DESI, DES and HSC-SSP, respectively. Their photoz accuracy is at the level of 0.01. The total mass of our clusters is also estimated by using the calibration relations between the optical richness and the mass measurement from X-ray and radio observations. The photoz and cluster catalogs are available at ScienceDB (https://www.doi.org/10.11922/sciencedb.o00069.00003) and PaperData Repository (https://doi.org/10.12149/101089).

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

The topology of non-resonant stellarator divertors

We apply topological methods to better understand how the magnetic field in the stellarator edge can be diverted away from the confined region. Our primary method is calculating the winding numbers of closed contours, which gives information on the number and nature of fixed points within a bounded region. We first apply this to the non-resonant divertor Hamiltonian system, and present a simple explanation for the system’s diversion: trajectories are guided away from the confined region by X-points which are ‘unpaired’ i.e. do not have corresponding O-points and therefore do not resemble an island chain. We show how similar phenomena can occur in a similar, axisymmetric Hamiltonian system. Secondly, we find examples of neoclassically optimised stellarators in the quasi-symmetric stellarator repository database which divert the magnetic field via unpaired X-points. We present and discuss three examples, each containing novel phenomena which might be desirable for stellarator divertors. These examples serve as an illustration of new divertor possibilities which exist in realistic stellarators, which may ultimately have application for future experiments and reactors.

X-points, topology↗

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