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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Identification and time evolution of thionyl chloride (SOCl 2 ) radiolysis products

In this study, innovative solutions are needed to reduce the amount of high-level waste generated by used nuclear fuel recycling strategies to support the widespread adoption of sustainable nuclear fission energy technologies. To this end, a new sulfur chloride-based process has been developed to recycle zirconium alloy-based materials, which make up a significant fraction of high-level radioactive waste. To support the continued development of this process, we present new data on the potential reaction pathways over time of the products arising from the gamma and electron beam radiolysis of neat thionyl chloride (SOCl 2 ). Interrogation of the gamma irradiated liquid by Raman spectroscopy provided more conclusive identification of the SOCl 2 degradation products, specifically sulfur dichloride (SCl 2 ), molecular chlorine (Cl 2 ), sulfur dioxide (SO 2 ), and sulfuryl chloride (SO 2 Cl 2 ). In comparison, the high dose rate (~10 7 Gy s -1 ) electron beam irradiations formed significantly more degradation products. For both cobalt-60 gamma and electron beam irradiations, the observed degradation products were found to evolve as a function of time post-irradiation via the same reaction pathways, with indication of a solvent regeneration mechanism. These findings are fortuitous for process development, as such a mechanism would be beneficial for process longevity and cost effectiveness.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2015

Audits Made Simple

A company just got notified there is a big external audit coming in 3 months. Getting ready for an audit can be challenging, scary, and full of surprises. This Gold Paper describes a typical audit from notification of the intent to audit through disposition of the final report including Best Practices, Opportunities for Improvement (OFI), and issues that must be fixed. Good preparation can improve the chances of success. Ensuring the auditors understand the environment and requirements is paramount to success. It helps the auditors understand that the enterprise really does think that security is important. Understanding and following a structured process ensures a smooth audit process. Ensuring follow-up on OFIs and issues in a structured fashion will also make the next audit easier. It is important to keep in mind that the auditors will use the previous report as a starting point. Now the only worry is the actual audit and subsequent report and how well the company has done. “Virtualization, mobilization, and cloud technology have created new points of entry into business, leaving them vulnerable to covert cyber-attacks,” states a report by Ernst & Young. Executives are struggling with the potential for a data breach, and resolving this business risk is high on their agenda. While most audit committee members are financially solid, they lack knowledge of technology issues, making understanding of this risk difficult. Success with an audit helps management understand the risk management is accepting, highlight gaps in security, and generate ideas on how to improve. These results are an important aspect of managing the business risk.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Actinide Removal Process October 2014 Sample Analysis

Filtration within the Actinide Removal Process (ARP) currently limits the throughput in interim salt processing at the Savannah River Site. In this process, batches of salt solution with Monosodium Titanate (MST) sorbent are concentrated by crossflow filtration. The filtrate is subsequently processed to remove cesium in the Modular Caustic Side Solvent Extraction Unit (MCU) followed by disposal in saltstone grout. The concentrated MST slurry is washed and sent to the Defense Waste Processing Facility (DWPF) for vitrification. During past ARP processing, there has been a degradation of filter performance manifested as the inability to maintain high filtrate flux throughout a multi-batch cycles during Salt Batches 6, 5 and 4. The objectives of the current effort for Salt Batch 7 samples, which are similar to the most recent ARP sample analysis from 2013, were to characterize the feed streams, to determine if solids (in addition to MST) are precipitating and causing the degraded performance of the filters, and to assess the particle size and rheological data to address potential filtration impacts. The samples from the LWPT and LWHT were obtained from several stages of processing of Salt Batch 7B, Cycle 1, Batch 67.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2015

Insights from Smart Meters: Ramp-Up, Dependability, and Short-Term Persistence of Savings from Home Energy Reports

Smart meters, smart thermostats, and other new technologies provide previously unavailable high-frequency and location-specific energy usage data. Many utilities are now able to capture real-time, customer-specific hourly interval usage data for a large proportion of their residential and small commercial customers. These vast, constantly growing streams of rich data (or big data) have the potential to provide novel insights into key policy questions about how people make energy decisions.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2016

Development of a Self-Consistent Model of Plutonium Sorption: Quantification of Sorption Enthalpy and Ligand-Promoted Dissolution

This university lead SBR project is a collaboration lead by Dr. Brian Powell (Clemson University) with co-principal investigators Dan Kaplan (Savannah River National Laboratory), Yuji Arai (presently at the University of Illinois), Udo Becker (U of Michigan) and Rod Ewing (presently at Stanford University). Hypothesis: The underlying hypothesis of this work is that strong interactions of plutonium with mineral surfaces are due to formation of inner sphere complexes with a limited number of high-energy surface sites, which results in sorption hysteresis where Pu(IV) is the predominant sorbed oxidation state. The energetic favorability of the Pu(IV) surface complex is strongly influenced by positive sorption entropies, which are mechanistically driven by displacement of solvating water molecules from the actinide and mineral surface during sorption. Objectives: The overarching objective of this work is to examine Pu(IV) and Pu(V) sorption to pure metal (oxyhydr)oxide minerals and sediments using variable temperature batch sorption, X-ray absorption spectroscopy, electron microscopy, and quantum-mechanical and empirical-potential calculations. The data will be compiled into a self-consistent surface complexation model. The novelty of this effort lies largely in the manner the information from these measurements and calculations will be combined into a model that will be used to evaluate the thermodynamics of plutonium sorption reactions as well as predict sorption of plutonium to sediments from DOE sites using a component additivity approach.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2018

Coal-Powered Electric Generating Unit Efficiency and Reliability Dialogue: Summary Report

Coal continues to play a critical role in powering the Nation’s electricity generation, especially for baseload power plants. With aging coal generation assets facing decreased performance due to the state of the equipment, and with challenges exacerbated by the current market pressures on the coal sector, there are opportunities to advance early-stage technologies that can retrofit or replace equipment components. These changes will eventually result in significant improvements in plant performance once further developed and deployed by industry. Research and development in areas such as materials, fluid dynamics, fuel properties and preparation characteristics, and a new generation of plant controls can lead to new components and systems that can help improve the efficiency and reliability of coal-fired power plants significantly, allowing these assets to continue to provide baseload power. Coal stockpiles at electricity generation plants are typically large enough to provide 30 to 60 days of power prior to resupply—significantly enhancing the stability and reliability of the U.S. electricity sector. Falling prices for non-dispatchable renewable energy and mounting environmental regulations, among other factors, have stimulated efforts to improve the efficiency of these coal-fired electric generating units (EGUs). In addition, increased reliance on natural gas and non-dispatchable energy sources has spurred efforts to further increase the reliability of coal EGUs. The Coal Powered EGU Efficiency and Reliability Dialogue brought together stakeholders from across the coal EGU industry to discuss methods for improvement. Participants at the event reviewed performance-enhancing innovations in coal EGUs, discussed the potential for data-driven management practices to increase efficiency and reliability, investigated the impacts of regulatory compliance on coal EGU performance, and discussed upcoming challenges for the coal industry. This report documents the key findings and research suggestions discussed at the event. Discussions at the workshop will aid DOE in developing a set of distinct initiatives that can be pursued by government and industry to realize promising technological pursuits. DOE plans to use the results of the Dialogue coupled with ongoing technical analysis of efficiency opportunities within the coal-fired fleet, and additional studies to develop a comprehensive strategy for capitalizing on thermal efficiency improvements. Expected Power Plant Efficiency Improvements include developing cost-effective, efficient, and reliable technologies for boilers, turbines, and sensors and controls to improve the reliability and efficiency of existing coal-based power plants. The Office of Fossil Energy at DOE plans to work with industry to develop knowledge pertaining to advanced technologies and systems that industry can subsequently develop. These technologies and systems will increase reliability, add operational flexibility and improve efficiency, thereby providing more robust power generation infrastructure. The following table lists the research suggestions and questions for further investigation that were identified by participants in each session of the dialogue.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2018

Updated Kd Estimates for Modeling Sorption of Cs, Sr, and Pu Isotopes in Hydrostratigraphic Units of Rainier Mesa and Shoshone Mountain

Linear sorption (Kd) coefficients in bulk porous (matrix) rock were estimated for modeling of radionuclide transport in groundwater at Rainier Mesa (RM) and Shoshone Mountain (SM). These Kd estimates were derived from a “component additivity approach” applied in other areas of the Nevada National Security Site. This approach utilizes two types of variables: 1. average mass percentages of sorbing minerals: smectite, mica/illite, hematite, calcite, and zeolite determined from X-ray diffraction (XRD); and 2. linear coefficients derived from reactive chemistry models of surface complexation/ion exchange processes in representative groundwater. This study estimates Kd for Cs, Pu, and Sr isotopes using the same coefficients for component additivity approach applied to RM and SM in the earlier report, but instead uses an updated XRD mineralogy database that expands on the original XRD database. As transport modeling scope for RM/SM evolved since 2011, new considerations have emerged: Transport modeling or sorbing radionuclides has expanded from RM proper to adjacent areas; Probabilistic modeling approaches require examination of transport parameter uncertainty; and, More XRD data will improve estimates of Kd with consideration of uncertainty in mineralogy. This report addresses the above considerations by expanding the analysis of XRD data from two boreholes on RM to over twenty boreholes on RM, SM, and adjacent areas. This analysis focuses on XRD data relevant to potential radionuclide transport pathways sourced from RM and SM.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2019

Blockchain Smart Contracts for Transactive Energy Systems

This report demonstrates the impact of blockchain technology underlying a transactive energy system and articulates details and principle components of each of five stages in a transactive energy system. This report depicts the engineering requirements of a sample market system, blockchain features, and the relationship between those requirements and features (Section 2.2). Clear value propositions of blockchain features for transactive energy systems are: identity management, security of data, resiliency, decentralization and smart contract trustworthiness, performance, integrity in a trustless environment and access control. Due to the immutability afforded by blockchain architecture, increased data fidelity could potentially help detect targeted cyber-attacks and increase resiliency of grid integration. A distributed system can be more fault tolerant and enable transactive energy by supporting machine-to-machine transactions that can be integrated directly into complex grid operations without the need of trust in a third party. Energy auctions, and potentially registration processes, can be carried out according to transparent rules implemented as smart contracts (Section 4.0). In this current experiment, we ran a use-case/table-top exercise that imitated a real-time 5-min double auction market. The objective of this demonstration is to investigate the applicability of blockchain with transactive energy systems (Section 3.0).

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Sketching Algorithms in Distributed Systems

In this position paper, we discuss exciting recent advancements in sketching algorithms applied to distributed systems. That is, we look at randomized algorithms that simultaneously reduce the data dimensionality, offer potential privacy benefits, while maintaining verifiably high levels of algorithm accuracy and performance in multi-node computational setups. We look at next steps and discuss the applicability to real systems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Optimization of enhanced law correlation glasses for processing

Primary objectives of this work are given below. Review past test data to identify potential causes for poor processing characteristics of some glass compositions generated by the Enhanced LAW Glass Correlation and conduct tests to investigate these effects. Evaluate strategies to ameliorate processing characteristics of poorly performing Enhanced LAW Glass Correlation compositions through manipulation of glass compositions and GFC additives. Characterize new glass compositions to be processed on the DM100 with respect to properties affecting processability and product quality for melt viscosity, melt electrical conductivity, VHT, PCT, crystallization, refractory corrosion, and sulfate incorporation. Conduct Inconel 690 corrosion tests for various compositions designed by the Enhanced LAW Glass Correlation. Characterize melter feeds to be processed on the DM100 to verify that they have physical and rheological properties that are acceptable for melter feed processing at the WTP. Further refine the Enhanced LAW Glass Correlation based on the results from the rheology, feed VGF, Inconel 690 corrosion, crucible and melter tests.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Nanostructural Analysis of Enzymatic and Non-enzymatic Brown Rot Fungal Deconstruction of the Lignocellulose Cell Wall†

Brown rot (BR) decay mechanisms employ carbohydrate-active enzymes (CAZymes) as well as a unique non-enzymatic chelator-mediated Fenton (CMF) chemistry to deconstruct lignocellulosic materials. Unlike white rot fungi, BR fungi lack peroxidases for lignin deconstruction, and also lack some endoglucanase/cellobiohydrolase activities. The role that the CMF mechanism plays in “opening up” the wood cell wall structure in advance of enzymatic action, and any interaction between CMF constituents and the selective CAZyme suite that BRs possess, is still unclear. Expression patterns for CMF redox metabolites and lytic polysaccharide monooxygenase (LPMO–AA9 family) genes showed that some LPMO isozymes were upregulated with genes associated with CMF at early stages of brown rot by Gloeophyllum trabeum. In the structural studies, wood decayed by the G. trabeum was compared to CMF-treated wood, or CMF-treated wood followed by treatment with either the early-upregulated LPMO or a commercial CAZyme cocktail. Structural modification of decayed/treated wood was characterized using small angle neutron scattering. CMF treatment produced neutron scattering patterns similar to that of the BR decay indicating that both systems enlarged the nanopore structure of wood cell walls to permit enzyme access. Enzymatic deconstruction of cellulose or lignin in raw wood samples was not achieved via CAZyme cocktail or LPMO enzyme action alone. CMF treatment resulted in depolymerization of crystalline cellulose as attack progressed from the outer regions of individual crystallites. Multiple pulses of CMF treatment on raw wood showed a progressive increase in the spacing between the cellulose elementary fibrils (EFs), indicating the CMF eroded the matrix outside the EF bundles, leading to less tightly packed EFs. Peracetic acid delignification treatment enhanced subsequent CMF treatment effects, and allowed both enzyme systems to further increase spacing of the EFs. Moreover, even after a single pulse of CMF treatment, both enzymes were apparently able to penetrate the cell wall to further increase EF spacing. The data suggest the potential for the early-upregulated LPMO enzyme to work in association with CMF chemistry, suggesting that G. trabeum may have adopted mechanisms to integrate non-enzymatic and enzymatic chemistries together during early stages of brown rot decay.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Formation of field-induced breakdown precursors on metallic electrode surfaces

Understanding the underlying factors responsible for higher-than-anticipated local field enhancements required to trigger vacuum breakdown on pristine metal surfaces is crucial for the development of devices capable of withstanding intense operational fields. In this study, we investigate the behavior of nominally flat copper electrode surfaces exposed to electric fields of hundreds of MV/m. Our novel approach considers curvature-driven diffusion processes to elucidate the formation of sharp breakdown precursors. To do so, we develop a mesoscale finite element model that accounts for driving forces arising from both electrostatic and surface-tension-induced contributions to the free energy. Our findings reveal a dual influence: surface tension tends to mitigate local curvature, while the electric field drives mass transport toward regions of high local field density. This phenomenon can trigger the growth of sharper protrusions, ultimately leading to a rapid enhancement of local fields and, consequently, to a runaway growth instability. We delineate supercritical and subcritical regimes across a range of initial surface roughness. Our numerical results are in qualitative agreement with experimentally reported data, indicating the potential practical relevance of field-driven diffusion in the formation of breakdown precursors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Digital Biosurveillance for Zoonotic Disease Detection in Kenya

Infectious disease surveillance is crucial for early detection and situational awareness of disease outbreaks. Digital biosurveillance monitors large volumes of open-source data to flag potential health threats. This study investigates the potential of digital surveillance in the detection of the top five priority zoonotic diseases in Kenya: Rift Valley fever (RVF), anthrax, rabies, brucellosis, and trypanosomiasis. Open-source disease events reported between August 2016 and October 2020 were collected and key event-specific information was extracted using a newly developed disease event taxonomy. A total of 424 disease reports encompassing 55 unique events belonging to anthrax (43.6%), RVF (34.6%), and rabies (21.8%) were identified. Most events were first reported by news media (78.2%) followed by international health organizations (16.4%). News media reported the events 4.1 (±4.7) days faster than the official reports. There was a positive association between official reporting and RVF events (odds ratio (OR) 195.5, 95% confidence interval (CI); 24.01–4756.43, p < 0.001) and a negative association between official reporting and local media coverage of events (OR 0.03, 95% CI; 0.00–0.17, p = 0.030). This study highlights the usefulness of local news in the detection of potentially neglected zoonotic disease events and the importance of digital biosurveillance in resource-limited settings.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Understanding Growth Dynamics and Yield Prediction of Sorghum Using High Temporal Resolution UAV Imagery Time Series and Machine Learning

Unmanned aerial vehicles (UAV) carrying multispectral cameras are increasingly being used for high-throughput phenotyping (HTP) of above-ground traits of crops to study genetic diversity, resource use efficiency and responses to abiotic or biotic stresses. There is significant unexplored potential for repeated data collection through a field season to reveal information on the rates of growth and provide predictions of the final yield. Generating such information early in the season would create opportunities for more efficient in-depth phenotyping and germplasm selection. This study tested the use of high-resolution time-series imagery (5 or 10 sampling dates) to understand the relationships between growth dynamics, temporal resolution and end-of-season above-ground biomass (AGB) in 869 diverse accessions of highly productive (mean AGB = 23.4 Mg/Ha), photoperiod sensitive sorghum. Canopy surface height (CSM), ground cover (GC), and five common spectral indices were considered as features of the crop phenotype. Spline curve fitting was used to integrate data from single flights into continuous time courses. Random Forest was used to predict end-of-season AGB from aerial imagery, and to identify the most informative variables driving predictions. Improved prediction of end-of-season AGB (RMSE reduction of 0.24 Mg/Ha) was achieved earlier in the growing season (10 to 20 days) by leveraging early- and mid-season measurement of the rate of change of geometric and spectral features. Early in the season, dynamic traits describing the rates of change of CSM and GC predicted end-of-season AGB best. Late in the season, CSM on a given date was the most influential predictor of end-of-season AGB. The power to predict end-of-season AGB was greatest at 50 days after planting, accounting for 63% of variance across this very diverse germplasm collection with modest error (RMSE 1.8 Mg/ha). End-of-season AGB could be predicted equally well when spline fitting was performed on data collected from five flights versus 10 flights over the growing season. This demonstrates a more valuable and efficient approach to using UAVs for HTP, while also proposing strategies to add further value.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Density jumps near the virial radius of galaxy clusters

Recent simulations have indicated that the dark matter halos of galaxy clusters should feature steep density jumps near the virial radius. Since the member galaxies are expected to follow similar collisionless dynamics as the dark matter, the galaxy density profile should show such a feature as well. We examine the potential of current data sets to test this prediction by selecting cluster members for a sample of 56 low-redshift (0.1<z<0.3) galaxy clusters, constructing their projected number density profiles, and fitting them with two profiles, one with a steep density jump and one without. Additionally, we investigate the presence of a jump using a non-parametric spline approach. We find that some of these clusters show strong evidence for a model with a density jump, with the strength of the signal increasing with the inclusion of spectroscopic cluster member identification. We discuss avenues for further analysis of the density jump with future data sets, particularly with the inclusion of additional spectroscopy of cluster outskirts.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

TESS Full Orbital Phase Curve of the WASP-18b System

We present a visible-light full orbital phase curve of the transiting planet WASP-18b measured by the TESS mission. The phase curve includes the transit, secondary eclipse, and sinusoidal modulations across the orbital phase shaped by the planet’s atmospheric characteristics and the star–planet gravitational interaction. We measure the beaming (Doppler boosting) and tidal ellipsoidal distortion phase modulations and show that the amplitudes of both agree with theoretical expectations. We find that the light from the planet’s dayside hemisphere occulted during secondary eclipse, with a relative brightness of 341{sub −18}{sup +17} ppm, is dominated by thermal emission, leading to an upper limit on the geometric albedo in the TESS band of 0.048 (2σ). We also detect the phase modulation due to the planet’s atmosphere longitudinal brightness distribution. We find that its maximum is well aligned with the substellar point to within 2.°9 (2σ). We do not detect light from the planet’s nightside hemisphere, with an upper limit of 43 ppm (2σ), which is 13% of the dayside brightness. The low albedo, lack of atmospheric phase shift, and inefficient heat distribution from the day to night hemispheres that we deduce from our analysis are consistent with theoretical expectations and similar findings for other strongly irradiated gas giant planets. This work demonstrates the potential of TESS data for studying the full orbital phase curves of transiting systems. Finally, we complement our study by looking for transit timing variations (TTVs) in the TESS data combined with previously published transit times, although we do not find a statistically significant TTV signal.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

The Atacama Cosmology Telescope: Microwave Intensity and Polarization Maps of the Galactic Center

Herein we present arcminute-resolution intensity and polarization maps of the Galactic center made with the Atacama Cosmology Telescope. The maps cover a 32 deg 2 field at 98, 150, and 224 GHz with |l| ≤ 4°, |b| ≤ 2°. We combine these data with Planck observations at similar frequencies to create coadded maps with increased sensitivity at large angular scales. With the coadded maps, we are able to resolve many known features of the Central Molecular Zone (CMZ) in both total intensity and polarization. We map the orientation of the plane-of-sky component of the Galactic magnetic field inferred from the polarization angle in the CMZ, finding significant changes in morphology in the three frequency bands as the underlying dominant emission mechanism changes from synchrotron to dust emission. Selected Galactic center sources, including Sgr A*, the Brick molecular cloud (G0.253+0.016), the Mouse pulsar wind nebula (G359.23-0.82), and the Tornado supernova remnant candidate (G357.7-0.1), are examined in detail. These data illustrate the potential for leveraging ground-based cosmic microwave background polarization experiments for Galactic science.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

DeepZipper: A Novel Deep-learning Architecture for Lensed Supernovae Identification

Large-scale astronomical surveys have the potential to capture data on large numbers of strongly gravitationally lensed supernovae (LSNe). To facilitate timely analysis and spectroscopic follow-up before the supernova fades, an LSN needs to be identified soon after it begins. To quickly identify LSNe in optical survey data sets, we designed ZipperNet, a multibranch deep neural network that combines convolutional layers (traditionally used for images) with long short-term memory layers (traditionally used for time series). We tested ZipperNet on the task of classifying objects from four categories—no lens, galaxy-galaxy lens, lensed Type-Ia supernova, lensed core-collapse supernova—within high-fidelity simulations of three cosmic survey data sets: the Dark Energy Survey, Rubin Observatory’s Legacy Survey of Space and Time (LSST), and a Dark Energy Spectroscopic Instrument (DESI) imaging survey. Among our results, we find that for the LSST-like data set, ZipperNet classifies LSNe with a receiver operating characteristic area under the curve of 0.97, predicts the spectroscopic type of the lensed supernovae with 79% accuracy, and demonstrates similarly high performance for LSNe 1–2 epochs after first detection. We anticipate that a model like ZipperNet, which simultaneously incorporates spatial and temporal information, can play a significant role in the rapid identification of lensed transient systems in cosmic survey experiments.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗