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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Default Radioactive and Hazardous Waste Management (RHWM) Dose Conversion Factors (DCFs) and Weighting Factors and plutonium-239 equivalent Curie (PE-Ci) methodology for acceptance into the Waste Storage Facilities

DOE-STD-5506-2007 (Ref. 1) is the standard that provides the methodology for preparing hazard analysis and accident analysis for transuranic (TRU) waste facilities. The Waste Storage Facilities hazard and accident analysis for the DSA is developed in accordance with DOE-STD- 5506-2007. Two related issues need to be addressed when implementing DOE-STD-5506-2007 regarding the calculation of consequences from TRU waste releases in accident analysis: Consequences determined in accident analysis must be modeled using inhalation Dose Conversion Factors (DCFs) that are consistent with those from the International Commission on Radiological Protection Publication 72 (ICRP-72, Ref. 2).; The use of a statistical Material at Risk (MAR) representing the distribution of radiological loading of TRU waste containers based on the use of a plutonium-239 equivalent Curie (PE-Ci) methodology. The PE-Ci methodology simplifies accident analysis by allowing one to model releases based on the Curie value of one standard nuclide (e.g., Pu-239) instead of needing to model releases for every potential nuclide of interest. This is accomplished by normalizing the Curie value of all nuclides to a single Curie value of a standard nuclide by using a Weighting Factor that is a ratio of the DCFs associated with the nuclides and that of the standard nuclide. By using the ICRP-72 DCFs to calculate PE-Ci values used in the statistical MAR, the accident analysis that uses that statistical MAR will be consistent with the consequence methodology identified in DOE-STD- 5506-2007.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

A study on computational fluid dynamics modeling of a refrigerated container for COVID-19 vaccine distribution with experimental validation

A key issue with the distribution of vaccines to prevent COVID-19 is the temperature level required during transport, storage, and distribution. Typical refrigerated transport containers can provide a temperature-controlled environment down to -30 °C. However, the Pfizer vaccine must be carefully transported and stored under a lower temperature between -80 °C and -60 °C. One way to provide the required temperature is to pack the vaccine vials into small packages containing dry ice. Dry ice sublimates from a solid to a gas, which limits the allowable transport duration. This can be mitigated by transporting in a -30 °C refrigerated container. Moreover, because the dry ice will sublimate and thereby release CO 2 gas into the transport container, monitoring the CO 2 concentration within the refrigerated container is also essential. In the present work, a 3D computational fluid dynamics model was developed based on a commercially available refrigerated container and validated with experimental data. The airflow, temperature distribution, and CO 2 concentration within the container were obtained from the simulations. The modeling results can provide guidance on preparing experimental setups, thus saving time and lowering cost, and also provide insight into safety precautions needed to avoid hazardous conditions associated with the release of CO 2 during vaccine distribution.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

A Comprehensive Framework for Valuation of Ecosystem Services in the Context of Hydropower

While models to value ecosystem services exist, they suffer from a lack of “portability” in the sense that a single modelling framework developed for one site cannot be imported and applied to another. Additionally, benefit estimations are often fragmented, incomplete, incomparable, and in heterogenous metrics, thus preventing aggregation to arrive at one comprehensive value. In the context of hydropower, the methods, as well as the metrics used to value the associated ecosystem services, vary between stakeholders (e.g., competing water users, agencies, etc.), detracting from the ability to assess the total value of a hydropower project, water management schemes, or comparing value between competing water users. Further, current methods to value water neglect non-market ecosystem services’ values by failing to account for externalities, resulting in misallocation of costs (e.g., obligatory stakeholder payments for water use) and misinterpretation of hydropower benefits. The benefit-cost ratios in hydropower development are often incomplete because non-market benefits are excluded (e.g., benefits, such as fish habitat resiliency and agricultural water reliability, derived from hydropower development). An approach to enable consistent, standardized hydropower benefit-cost analyses does not currently exist. This paper conceptualizes a methodology to standardize ecosystem services valuation in the context of hydropower projects through the integration of the U.S. Environmental Protection Agency’s existing Final Ecosystem Goods and Services Classification System framework and economic valuation techniques, and demonstrates the applicability of this methodology through a limited proof-of-concept application (the New Waddell Plant, a pumped hydroelectric energy storage facility in Phoenix, AZ). The beauty of our proposed framework lies in its ability to be imported and applied to any other pumped storage facility after accounting for site-specific features.

13 HYDRO ENERGY↗
DOE OSTI2023

In situ probing the origin of interfacial instability of Na metal anode

The unstable and fragile solid electrolyte interphase (SEI) has restricted the application of Na metal anodes. Despite numerous research efforts being put into understanding its chemical composition and physical properties, direct observation of its formation remains a challenge due to the lack of temporal and spatial resolution. Here, through combined in situ probing techniques, we exhibit two pivotal stages associated with SEI instability during the often -neglected formation process. It is revealed that Na metal that is not uniformly passivated at the initial (passivating) stage will trigger unrestricted electrolyte decomposition and homogeneous components distribution during the subsequent (growing) stage. SEI with homogenously distributed components is found to have higher solubility than that with a layered structure evolved from a compact passivation layer. Furthermore, through demonstrating an SEI dissolution model that is closely related to its formation process and compositional distribution, this work sheds light on an uncharted territory of Na metal batteries.

25 ENERGY STORAGE↗
DOE OSTI2020

Ion Pairing and Redissociaton in Low-Permittivity Electrolytes for Multivalent Battery Applications

Detailed speciation of electrolytes as a function of chemical system and concentration provides the foundation for understanding bulk transport as well as possible decomposition mechanisms. In particular, multivalent electrolytes have shown a strong coupling between anodic stability and solvation structure. Furthermore, solvents that are found to exhibit reasonable stability against alkaline-earth metals generally exhibit low permittivity, which typically increases the complexity of the electrolyte species. To improve our understanding of ionic population and associated transport in these important classes of electrolytes, the speciation of Mg(TFSI)2 in monoglyme and diglyme systems is studied via a multiscale thermodynamic model using first-principles calculations for ion association and molecular dynamics simulations for dielectric properties. The results are then compared to Raman and dielectric relaxation spectroscopies, which independently confirm the modeling insights. We find that the significant presence of free ions in the low-permittivity glymes in the concentration range from 0.02 to 0.6 M is well-explained by the low-permittivity redissociation hypothesis. Here, salt speciation is largely dictated by long-range electrostatics, which includes permittivity increases due to polar contact ion pairs. The present results suggest that other low-permittivity multivalent electrolytes may also reach high conductivities as a result of redissociation.

25 ENERGY STORAGE↗
DOE OSTI2020

Solubility-Dependent Protective Effects of Binary Alloys for Lithium Anode

Recently, alloys have been widely utilized as protection layers for homogenized Li growth. However, the protective mechanisms for different alloys are not clearly understood. In this work, guided by the binary phase diagrams, Mg, Au, Zn, Al, Fe, and Cu protective layers have been selected for study of their protective abilities and mechanisms. The selected metals can be classified into three categories according to the nature of their associated alloy protective layers: (1) metals with high solubility in Li while not forming any intermediate line compounds, e.g., Mg, which is good for fast Li stripping; (2) metals with limited solid solubility but forming stable line compounds with Li upon the lithiation, e.g., Au, Zn, and Al, where the formed stable line compounds Li x Au, Li x Zn, and Li x Al will hamper Li kinetics; (3) metals with negligible mutual solubility and no line compound formation with Li, e.g., Fe and Cu, which block the Li stripping path and therefore result in the highest polarization voltage.

25 ENERGY STORAGE↗
DOE OSTI2024

Frequency Support From Electric Vehicles for Advancing Renewable Energy Integration

The integration of renewable energy resources (RERs) in the modern power grid is increasing rapidly because of aggressive decarbonization goals, lower costs, and increased government investment. However, higher penetrations of inverter-based generation can lead to frequency stability issues because of reduced system inertia. This paper develops a framework for quantifying the contribution of electric vehicles (EVs) toward providing frequency support to the grid and thus increasing the penetration limit of renewable energy resources (RERs). EVs are considered to provide both inertial response and primary frequency response support to the grid. A stochastic approach incorporating the uncertainties associated with the behavior of EVs is developed to derive the discharge limit of EV aggregators. A multi-machine system frequency response (MM-SFR) model is developed, which incorporates the dynamic virtual inertia and droop coefficients of EV aggregators derived from the EV control modules. Frequency security constraints are developed from this MM-SFR model, which, along with the converter voltage security and low voltage ride-through constraints, are integrated within a nonlinear optimization framework to determine the RER integration limit. Here, the efficacy of the proposed approach is validated using the RTS-GMLC test system.

25 ENERGY STORAGE↗
DOE OSTI2023

Groundwater and Surface Water Flow (GSFLOW) model files for the East River, Colorado

The data package contains model input files and executables for the East River, Colorado (750 km2) located in the headwaters of the Upper Colorado River Basin. The code applied is the U.S. Geological Survey (USGS) Groundwater and Surface Water Flow (GSFLOW) model. The model contains a 100-m grid resolution to represent topographic complexity and a daily timestep accounts for energy and water partitioning between the snowpack, vegetation, soil zone and bedrock. The land surface model is dynamically linked to a three-dimensional groundwater flow model that allows for streamflow gaining and losing conditions. The groundwater model accounts for nine stratigraphic units and extends 400 m below land surface. Using this modeling framework we explore historical water budgets (water year 1987-2022) and the influence of seasonal warming and associated mechanisms driving groundwater declines and streamflow loss. A Readme_062424.txt file provides instructions on how to download all files. Input and output files are provided for the historical simulation representative of water years 1987 to 2022 (i.e. baseline) and the all-year +4C warming scenario. Instructions are provided to run the seasonal warming scenarios with warming applied only to the autumn, winter, spring or summer months. Modeled output used in figures for Carroll et al., 2024 are also provided with metadata describing where these data were obtained. This dataset additionally includes a file-level metadata (flmd.csv) file that lists each file contained in the dataset with associated metadata; and a data dictionary (dd.csv) file that contains column/row headers used throughout the files along with a definition, units, and data type.Updated on 06-24-2024: The dataset was updated to include model outputs (updated base.zip and 4C.zip files), figure source files (Figure_Source_Files.zip), an updated Readme file (Readme_062424.txt), climate input files (climate_input_files.zip), and the adoption of ESS-DIVE File Level Metadata and CSV reporting formats (inclusion of flmd.csv and dd.csv files).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Habitat Affinity of Riverine Dissolved Organic Matter Linked to Molecular Traits

Fluxes of organic matter across Earth habitats shape ecosystem function and carbon storage. Yet, it is challenging to predict howthe molecules are preferentially accumulated in specific habitats, that is, the habitat affinities, due to their diverse character-istics. Here, we develop an indicator of compositional-level habitat affinity for dissolved organic matter (DOM) by quantifyingthe aggregated affinities of individual molecules that are over- or under-represented relative to a reference habitat. Applyingthis indicator to 93 paired riverine water-sediment sites, we find that 65.1% of molecules show non-significant habitat affinitiesfor water or sediment and are thermodynamically favorable and susceptible to microbial degradation. Consistently, the habitataffinities of DOM assemblages decrease with lower molecular weights and recalcitrance for waters, and with higher thermody-namic favorability for sediments. These affinities are both reduced by elevated temperatures and anthropogenic pressures, suchas nitrogen loading and land-use change. Our projection of habitat affinities of global riverine DOM shows that regions withintense anthropogenic disturbances or warm climates, such as East Asia, Western Europe, and the Amazon, tend to exhibit loweraffinities. These findings suggest enhanced molecular homogenization between water and sediment habitats is associated withenvironmental changes and underscore the importance of habitat affinities for predicting the potential trajectories of organiccarbon across ecosystems

Cui, Yifan↗
DOE OSTI2024

Antigua and Barbuda Distributed Energy Resources Deployment Guidelines

This document is designed to provide comprehensive considerations, best practices and guidance for deployment of Distributed Energy Resources (DERs) in Antigua and Barbuda. The document provides lists of various technology selection guidance including technical specifications, requirements and applicable key standards and code associated with key DERs and balance of plant equipment. The document also presents the key microgrid design considerations to integrate the DERs to achieve the economic, decarbonization and resiliency goals. Taking into account sensitive grid for such islands, for grid readiness and screening the potential DER interconnection, general approach is highlighted along with the potential technical interconnection requirements. Furthermore, this document shows the key stakeholders involved in such DER integration and/or microgrid project and how key responsible project team can be qualified. Finally, this document refers to key information about warranties and consumer rights and maintenance of the systems.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

Increasing atmospheric dryness reduces boreal forest tree growth

Rising atmospheric vapour pressure deficit (VPD) associated with climate change affects boreal forest growth via stomatal closure and soil dryness. However, the relationship between VPD and forest growth depends on the climatic context. Here we assess Canadian boreal forest responses to VPD changes from 1951-2018 using a well-replicated tree-growth increment network with approximately 5,000 species-site combinations. Of the 3,559 successful growth models, we observed a relationship between growth and concurrent summer VPD in one-third of the species-site combinations, and between growth and prior summer VPD in almost half of those combinations. The relationship between previous year VPD and current year growth was almost exclusively negative, while current year VPD also tended to reduce growth. Tree species, age, annual temperature, and soil moisture primarily determined tree VPD responses. Younger trees and species like white spruce and Douglas fir exhibited higher VPD sensitivity, as did areas with high annual temperature and low soil moisture. Since 1951, summer VPD increases in Canada have paralleled tree growth decreases, particularly in spruce species. Accelerating atmospheric dryness in the decades ahead will impair carbon storage and societal-economic services.

54 ENVIRONMENTAL SCIENCES↗
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 OSTI2021

Assessing the representation of the Australian carbon cycle in global vegetation models

Australia plays an important role in the global terrestrial carbon cycle on inter-annual timescales. While the Australian continent is included in global assessments of the carbon cycle such as the global carbon budget, the performance of dynamic global vegetation models (DGVMs) over Australia has rarely been evaluated. We assessed simulations of net biome production (NBP) and the carbon stored in vegetation between 1901 to 2018 from 13 DGVMs (TRENDY v8 ensemble). We focused our analysis on Australia's short-term (inter-annual) and long-term (decadal to centennial) terrestrial carbon dynamics. The TRENDY models simulated differing magnitudes of NBP on inter-annual timescales, and these differences resulted in significant differences in long-term vegetation carbon accumulation (–4.7 to 9.5 Pg C). We compared the TRENDY ensemble to several satellite-derived datasets and showed that the spread in the models' simulated carbon storage resulted from varying changes in carbon residence time rather than differences in net carbon uptake. Differences in simulated long-term accumulated NBP between models were mostly due to model responses to land-use change. The DGVMs also simulated different sensitivities to atmospheric carbon dioxide (CO 2 ) concentration, although notably, the models with nutrient cycles did not simulate the smallest NBP response to CO 2 . Our results suggest that a change in the climate forcing did not have a large impact on the carbon cycle on long timescales. However, the inter-annual variability in precipitation drives the year-to-year variability in NBP. We analysed the impact of key modes of climate variability, including the El Niño–Southern Oscillation (ENSO) and the Indian Ocean Dipole (IOD), on NBP. While the DGVMs agreed on sign of the response of NBP to El Niño and La Niña and to positive and negative IOD events, the magnitude of inter-annual variability in NBP differed strongly between models. In addition, we find that differences in the timing of simulated phenology and fire dynamics are associated with differences in simulated or prescribed vegetation cover and process representation. We further find model disagreement in simulated vegetation carbon, phenology, and apparent carbon residence time, indicating that the models have different types and coverage of vegetation across Australia (whether prescribed or emergent). Our study highlights the need to evaluate parameter assumptions and the key processes that drive vegetation dynamics, such as phenology, mortality, and fire, in an Australian context to reduce uncertainty across models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Mineralogy-dependent sulfide oxidation via polysulfide and thiosulfate pathways during weathering of mixed-sulfide bearing mine waste rock

Tracking the S oxidation pathway in sulfide-bearing mine waste-rock piles is complicated by variations in water content, O 2 and Fe 3+ concentrations, microbial diversity, mineralogy, the occurrence of a variety of S species associated with incomplete oxidation, and nonlinear coupling between physicochemical processes. Synchrotron-based S K-edge X-ray absorption near edge structure (XANES) spectroscopy facilitates the identification and quantification of S species (i.e., S 2– , $S_{2}O_{2}^{2–}$, S 8 , $S_{2}O_{3}^{2–}$, and $S_{2}O_{4}^{2–}$) in a weathered mine waste-rock pile containing pyrite, sphalerite, galena, pyrrhotite, and chalcopyrite. Mineralogy-dependent polysulfide and thiosulfate pathways both affect the S oxidation within the waste-rock pile. Currently, the polysulfide pathway, with S 8 as the intermediate S species, generates high concentrations of dissolved metals (from the rapid oxidation of monosulfides including sphalerite, galena, pyrrhotite, and chalcopyrite). As these monosulfides are depleted, the thiosulfate pathway of pyrite oxidation, including intermediate oxidation products (i.e., S 8 and $S_{2}O_{3}^{2–}$), will become the dominant oxidation pathway, resulting in the potential for generation of additional acidic drainage. This information highlights the importance of identifying the sulfide-mineral oxidation reaction pathways when attempting to estimate acid generation potential, and when developing remediation strategies for the storage and management of sulfide-bearing waste rock.

58 GEOSCIENCES↗
DOE OSTI2021

Interplay Between Cation and Anion Redox in Ni-Based Disordered Rocksalt Cathodes

The reversibility of the redox processes plays a crucial role in the electrochemical performance of lithium-excess cation-disordered rocksalt (DRX) cathodes. Here, we report a comprehensive analysis of the redox reactions in a representative Ni-based DRX cathode. The aim of this work is to elucidate the roles of multiple cations and anions in the charge compensation mechanism that is ultimately linked to the unique electrochemical performance of Ni-based DRX cathodes. Generally, the low-voltage discharge plateau that results in the low energy efficiency and strong voltage hysteresis is associated with the low-voltage oxygen redox. However, incorporating Mo cation promotes the oxygen activity and the Mo migration between octahedral and tetrahedral sites enhances the O reduction potential as well as energy efficiency. This work highlights the important role that electrochemically inactive transition metal plays in the redox chemistry and provides useful insights into the potential pathway to further address the challenges in Ni-based DRX systems.

Yue, Yuan↗
DOE OSTI2020

Development of a Testbed for Pipeline Flushing - 20425

Pipelines which carry high-level waste within the DOE complex should be properly flushed in the cases where stationary or moving beds of solid sediment occur, or lines are prone to hydrogen gas buildup. Present guidelines establish a minimum for the amount of water (flush volume) and flush velocity values used for post-transfer flushing operations to achieve satisfactory cleaning of pipelines. However, further studies are needed to find optimal operating velocity modes/values in order to minimizing the flush volume and consequent downstream waste. These efforts are significantly helpful to DOE waste remediation sites by preserving tank storage, preventing additional waste processing, and minimizing dilution and changes in waste chemistry. An experimental test loop was recently developed for study of non-Newtonian slurry flushing at the Florida International University (FIU). This loop was designed to create sediment beds of various materials and bed heights and investigate parameters that effect the efficiency of flushing operations. The objective is to find flush velocity values/modes which lead to satisfactory cleaning of transport lines with a minimum amount of water usage. A 165 ft experimental test loop made of 3-inch carbon steel pipes was constructed and used in initial testing campaigns. This pipe loop was equipped with real-time monitoring instruments to record variation of pressure, density, mass flow rate, and temperature during testing. Post-flush in-situ no-flow evaluations were performed using ultrasonic, endoscopy, and visual inspection. Additional post-flush evaluations were conducted using filtration and density monitoring of residuals within a designated circulations loop. These provisions enable comparison of pipeline cleanness before the start and after termination of flushing operations for efficiency evaluation. This paper presents efforts associated with flushing of kaolin-water mixtures at different concentrations and with various flush volume and flush velocity values/modes. In initial testing, efforts focused on creating repeatable sediment beds inside the pipeline in both fully-flooded (no pre-flush drainage) and gravity-drained (pre-flush drained) systems. Bed characterization (i.e., measurement of sediment height and solids concentration) was conducted to ensure about consistency of initial conditions between tests. Preliminary results for flushing study of 10% vol. kaolin-water mixtures starting from a fully-flooded initial condition showed that flushing with 1-line volume (65 gallons) could remove up to 72 percent of solids from the pipeline. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Nuclear Fuel and Pu Redox Studies from The Glenn T. Seaborg Institute at Idaho National Laboratory

The Glenn T. Seaborg Institute at Idaho National Laboratory (INL-GTSI) focuses on advancing fundamental research in the actinide sciences by providing unique opportunities to early career scientists and engineers to gain experience studying the actinide elements and their associated systems. The INL-GTSI is built from three focus areas that are based on the expertise and supporting infrastructure at INL and include solid state chemistry and physics, solution phase chemistry and physics, and forensic and isotope science. INL is the lead Laboratory for nuclear energy research and development in the U. S. and the research on nuclear fuels performed under the INL-GTSI gives good examples of solid state studies. Uranium-Molybdenum (U-Mo) alloys are leading fuel candidates for conversion of high performance research and test reactors to low-enriched fuels. During irradiation, generated fission gas accumulates into bubbles and self-organizes into a gas bubble superlattice (GBS) that effectively stores fission gases and inhibits fuel swelling. A study on the early self- organizing behavior of the GBS shows that not only grain boundaries but the interfaces between the U-Mo matrix and uranium carbide (UC) impurities are important to GBS formation.[1] In solution, understanding the complex redox behavior of plutonium in aqueous environments is critical for establishing optimized nuclear waste reprocessing solvent systems and storage tank environments. INL-GTSI researchers have produced an experimentally validated multi-scale model of the gamma radiation induced behavior of plutonium ions in concentrated aqueous HNO3 solutions.[2] Here, gamma radiation effected only minimal steady state changes in the redox distribution of the plutonium oxidation states. The redox cycling between Pu(IV) and Pu(III) is demonstrated to be mediated by the •OH/NO3• radical oxidation of Pu(III) and the H2O2/HNO3 driven reduction of Pu(IV). The INL-GTSI offers young researchers the unique chance to work directly with actinide bearing materials in a U. S. National Laboratory environment. Further topical areas of interest to the INL-GTSI include, but are not limited to, fundamental actinide properties, structure/property (electronic, magnetic, thermal) relations, actinide quantum criticality, f- electron interactions, electron correlations, computational studies, new phases, defect effects, interface interactions, isotope production and separation, forensic analytical chemistry, structure and dynamic properties of actinides in non-aqueous media, separations chemistry and kinetics for advanced nuclear fuel cycles, radiation effects, and innovative and advanced ligand design for complexation of the actinides.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Photometric redshifts probability density estimation from recurrent neural networks in the DECam local volume exploration survey data release 2

Photometric wide-field surveys are imaging the sky in unprecedented detail. These surveys face a significant challenge in efficiently estimating galactic photometric redshifts while accurately quantifying associated uncertainties. In this work, we address this challenge by exploring the estimation of Probability Density Functions (PDFs) for the photometric redshifts of galaxies across a vast area of 17,000 square degrees, encompassing objects with a median 5 σ point-source depth of g = 24.3, r = 23 . 9 , i = 23.5, and z = 22.8 mag. Our approach uses deep learning, specifically integrating a Recurrent Neural Network architecture with a Mixture Density Network, to leverage magnitudes and colors as input features for constructing photometric redshift PDFs across the whole DECam Local Volume Exploration (DELVE) survey sky footprint. Subsequently, we rigorously evaluate the reliability and robustness of our estimation methodology, gauging its performance against other well-established machine learning methods to ensure the quality of our redshift estimations. Our best results constrain photometric redshifts with the bias of − 0 . 0013 , a scatter of 0.0293, and an outlier fraction of 5.1%. These point estimates are accompanied by well-calibrated PDFs evaluated using diagnostic tools such as Probability Integral Transform and Odds distribution. We also address the problem of the accessibility of PDFs in terms of disk space storage and the time demand required to generate their corresponding parameters.We present a novel Autoencoder model that reduces the size of PDF parameter arrays to one-sixth of their original length, significantly decreasing the time required for PDF generation to one-eighth of the time needed when generating PDFs directly from the magnitudes.

79 ASTRONOMY AND ASTROPHYSICS↗