Search NASA⌕ Search

SEARCH · Search NASA

Results for “Data Characterization”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Evaluation of the Impacts of Heat Exchanger Operation on Quality of Water Used as Heat Source and Sink

To help inform future decisions about the subsequent uses of water that has served as a heat source and sink in the heat exchanger component of a geothermal heat pump system, ORNL performed an independent assessment of data characterizing the quality of water that had passed through a heat exchanger supporting a geothermal heat pump in a school building. Water supply to the heat exchanger is treated drinking water from a public water supply system that derives its water from a groundwater source. Water analyses and bacteriological measurements collected from heat exchanger and inflow and outflow lines were supplied to ORNL for review. Data were compared with regulatory standards and inflow and outflow data were compared to identify changes occurring in the water resulting from its passage through the heat exchanger. Review of the data identified no conditions that would prevent the use of heat exchange outflow water for water supply. Water quality conforms with applicable regulatory standards. There were no discernible differences between inflow and outflow water quality for any parameters other than water temperature and formation of heterotrophic bacterial biofilms. Changes in water temperature are an expected result of the operation of the heat exchanger system and do not by themselves affect the suitability of the water for human consumption. Bacterial biofilm formation can be affected by water temperature, but the data did not show a consistent or statistically significant relationship between temperature parameters and biofilm formation, and the observations of biofilms formed in the heat exchanger water lines do not affect the suitability of the outflow water for water supply. Legionella, a bacterial genus that has been associated with outbreaks of waterborne pathogenic disease, was detected in one biofilm sample, and the water company is performing follow-up testing to assess the significance of this detection.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

An expanded registry of candidate cis -regulatory elements

Mammalian genomes contain millions of regulatory elements that control the complex patterns of gene expression. Previously, the ENCODE consortium mapped biochemical signals across hundreds of cell types and tissues and integrated these data to develop a registry containing 0.9 million human and 300,000 mouse candidate cis-regulatory elements (cCREs) annotated with potential functions. Here we have expanded the registry to include 2.37 million human and 967,000 mouse cCREs, leveraging new ENCODE datasets and enhanced computational methods. This expanded registry covers hundreds of unique cell and tissue types, providing a comprehensive understanding of gene regulation. Functional characterization data from assays such as STARR-seq, massively parallel reporter assay, CRISPR perturbation and transgenic mouse assays have profiled more than 90% of human cCREs, revealing complex regulatory functions. We identified thousands of novel silencer cCREs and demonstrated their dual enhancer and silencer roles in different cellular contexts. Integrating the registry with other ENCODE annotations facilitates genetic variation interpretation and trait-associated gene identification, exemplified by the identification of KLF1 as a novel causal gene for red blood cell traits. This expanded registry is a valuable resource for studying the regulatory genome and its impact on health and disease.

Moore, Jill E. [Univ. of Massachusetts, Worchester↗
DOE OSTI2024

Simulant Development of Potential 200 West Area Waste Feeds

Preliminary planning for retrieval, qualification, and pretreatment of waste in Hanford’s 200 West Area (200W) has begun as part of the West Area Risk Management project. Experimental studies to technically mature pretreatment process operations will likely be needed because of the uniqueness of 200W waste. Pacific Northwest National Laboratory formulated five simulants to represent 200W-qualified feed based on the preliminary flowsheet provided by Washington River Protection Solutions, LLC. The simulant recipes were devised using applicable historical information as a reference point to support the use of the flowsheet waste vectors, which were combined into five distinct groups. These five groups formed the basis for the liquid composition targets that were adapted into recipes using charged-balanced salt species. The liquid phase recipes were batched in 1-L quantities and analyzed at Pacific Northwest National Laboratory. Once confirmed to be stable, the liquid solutions were tested for compatibility with candidate solid components. Specific solid components were recommended based on cross-examining the proposed solid phases in the flowsheet with relevant data from the literature. Mixtures of solid components were added to aliquots of the liquid batches and sub-sampled to measure particle size distribution. The measured distribution was compared to independently created benchmark distributions appropriate for each simulant. This process was iterated until a solid phase composition that resulted in a representative particle size distribution was found. After the final compositions were confirmed, a suite of chemical and physical characterization data was collected. This report describes the simulant basis, formulation methodology, laboratory measurements, and data collected for the recipes recommended to represent 200W waste feeds.

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

CryoTARPOS Vibration Mitigation System for Layered Experiments

The goal of this project is to implement a system that can eliminate or mitigate vibration so that clear images can be taken without bypassing the cryocooler. By allowing for layer characterization and cryocooler operation at the same time, cooling capacity and thermal stability of the target would be improved, and more layer characterization data could be taken. Increased cooling capacity and thermal stability could allow for layering during occasional off normal conditions that would typically result in a loss of temperature control and NIF operational delays ranging from several hours to several days per month. The increased cooling capacity and thermal stability could also allow for layering of new target platforms that have less cooling margin. Additional layer images could be used for better characterization of defects and non-uniformities in the layer and would reduce the likelihood of layer seed loss, which typically adds ~12 hours per week in layering time. Motion blur from vibration due to off normal activity in the NIF Target Bay could also be mitigated that would usually result in NIF operational delays of several hours every month.

42 ENGINEERING↗
DOE OSTI2016

S-Layer Nanosheet Binding of Zn and Gd

This data characterizes binding of Zn2+ and Gd3+ to engineered nanosheets at 40C and in a brine solution. The engineered nanosheets are composed of surface-layer (S-layer) proteins which form 2 D crystalline sheets and display Zn2+- or Gd3+-binding domains on these sheets. Their ability to bind Zn2+ is compared to S-layer nanosheets that do not contain Zn2+-binding domains. We found that the purification method of these nanosheets was a critical determinant of their function and thus have provided data on the binding from two different purification methods. A key distinction of this dataset from other datasets is that the engineered nanosheets were expressed and purified from E. coli grown at 37C as described in (Kinns, 2010; Howorka, 2000), References: Kinns, H., et al. Identifying assembly-inhibiting and assembly-tolerant sites in the SbsB S-layer protein from Geobacillus stearothermophilus. Journal of Molecular Biology, 2010. 395(4): p. 742-753. Howorka, S., et al. Surface-accessible residues in the monomeric and assembled forms of a bacterial surface layer protein. Journal of Biological Chemistry, 2000. 275(48): p. 37876-37886.

15 GEOTHERMAL ENERGY↗
DOE OSTI2021

AGR-5/6/7 Fuel Fabrication Report

The U.S. Department of Energy Office of Nuclear Energy (DOE NE) and the Idaho National Laboratory (INL) Advanced Reactor Technologies (ART) Advanced Gas Reactor (AGR) Fuel Development and Qualification program (referred to as AGR Fuel program hereafter) are pursuing qualification of tristructural isotropic (TRISO) coated particle fuel for use in high temperature gas cooled reactors (HTGRs). The AGR Fuel program was established to provide a fuel qualification data set in support of the licensing and operation of an HTGR. BWX Technologies Nuclear Operations Group (BWXT-NOG) was subcontracted to fabricate the fuel for the AGR program. Several investments and innovations were realized in preparation to fabricate fuel for the AGR-5/6/7 irradiation experiments that brought fuel fabrication fully out of the laboratory and into engineering-scale operations. These included: • Increased the kernel fabrication line capacity and uniformity • Upgraded ancillary support equipment and processes for the tristructural isotropic (TRISO) coating furnace • Demonstrated efficient production of the matrix precursor powder by dry jet milling of co mingled components • Demonstrated an engineering-scale method for quick and efficient overcoating TRISO particles with the matrix precursor • Demonstrated an automated, multi cavity compacting system with a volumetric feed system • Demonstrated a combined-cycle thermal treatment furnace These changes increased production rates of some of these processes by an order of magnitude or more while eliminating the use of flammable solvents, multiple grinding and sorting operations, and the weighing out of individual die charges. Three fuel kernel lots were fabricated for production of the fuel for AGR-5/6/7. The initial lot (J52R-16-39316) was certified to fuel specifications but was not used because the kernels had a high fraction of internal fissures that caused an unacceptable fraction of the kernels to fragment when charged to the coating furnace where the TRISO coating would be deposited. Fragmented kernels increased the dispersed uranium in the particles and produced a worrisome fraction of dimpled particles with an elevated probability of in-pile failure. After some efforts to identify the cause of the fissure formation, two additional lots were produced with much lower fissure fractions, J52R-16-69317 and 69318. The latter kernel lot was a backup to the first and was not needed. Multiple kernel batches were composited to form each of the lots so as to simulate a commercial-scale operation where kernel batches would also be composited. Multiple TRISO coating runs were performed and the product characterized so that several could be composited into a TRISO lot. TRISO lot J52R-16-98005 conformed to all fuel specifications except the mean outer pyrocarbon (OPyC) layer thickness was thinner than specified. Furthermore, it was determined that the TRISO lot had a dispersed uranium fraction (DUF) that might result in the compacts not meeting the DUF specification. A review of the role of the OPyC layer and consequences of the DUF by the Technical Coordination Team and INL concluded that the fuel was acceptable for use in the AGR-5/6/7 irradiation experiment. The TRISO particles were overcoated with the matrix precursor that had been produced in a jet-milling operation. The overcoating was performed in equipment originally designed to coat pharmaceuticals. The overcoating process performed well; producing highly spherical and uniform overcoats requiring little upgrading and no recycle or rework. TRISO particles were overcoated with the matrix precursor to achieve nominal volumetric packing fractions (PFs) of TRISO particles of 25% and 40% for the irradiation experiments. The 40% PF compacts occupy the first and fifth test capsule in the test train while the inner three capsules are loaded with 25% PF compacts. The resinated graphite matrix precursor powder was a derivative of the German A3-27 matrix formulation, which differs from previous AGR irradiation campaigns that used an A3-3 formulation. Jet milling of the matrix powder precursor produced a finer mean graphite particle size than the milling operations used for the A3-3 matrix powder precursor. Changes made in the matrix formula and equipment yielded compacts with significantly higher matrix density than was attained in previous AGR irradiation campaigns. The changes in the matrix formulation and the means of milling the powders also complicated resolution of the three fuel compact defect fractions, DUF, exposed kernel fraction (EKF), and the silicon carbide defect fraction (SDF). Characterization data from BWXT-NOG had some anomalous results, so samples of the fuel compacts and overcoated TRISO particles were also analyzed by Oak Ridge National Laboratory (ORNL) to ensure that the defect fractions were accurately characterized.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

COMBLE Radar b1 Processing: Corrections, Calibrations, and Processing Report

The U.S. Department of Energy’s (DOE) Atmospheric Radiation Measurement (ARM) user facility recently concluded its Cold-Air Outbreaks in the Marine Boundary Layer Experiment (COMBLE), with its campaign emphasis on marine boundary-layer clouds and mixed-phase clouds during cold-air outbreaks. The COMBLE campaign featured the deployment of the first ARM Mobile Facility (AMF1) to northern Scandinavia (Andenes, Norway), including its standard complement of ARM cloud radars. In keeping with user demands stemming from the previous AMF Cloud, Aerosol, and Complex Terrain Interactions (CACTI) field campaign in Argentina, a post-campaign radar mentor effort was initiated for COMBLE. This activity was intended to improve the usability of the ARM cloud radar data sets in response to overall demands for calibrated, corrected data sets for downstream studies and retrieval applications. In addition to the terrain complexities previously important to CACTI data sets (e.g., clutter designation and/or removal), COMBLE presented new challenges to existing ARM radar mentor capabilities. These included the extension of existing methodologies (e.g., relative calibration adjustment [RCA] target techniques) to frozen environments and the potential issues with their applicability when considering mixed-phase precipitation conditions. As in the previous CACTI documentation (Hardin et al. 2020), the overall calibration and conditioning process in ARM nomenclature is referred to as generating a “b1” datastream. For the radars, these “b1” standards refer to a datastream that has been calibrated (and cross-calibrated), with effort to deliver the highest-quality (well-characterized) data possible. The “b1” radar mentor reporting (this current document) is intended to detail (i) the status/quality of the original “a1” (raw) data sets during the COMBLE AMF campaign, (ii) the corrections and calibrations that are applied to generate the b1 datastreams available on ARM’s Data Discovery, and (iii) the details of the applied methods, e.g., how radar offset/calibration numbers were determined.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

TCCSP Project Implementation Plan

The TCCSP CarbonSAFE Phase II efforts focused on developing the technical, community, and economic foundation for a commercial-scale regional geologic storage complex for CO 2 captured. TCCSP has conducted a thorough evaluation of the regional, local, and site-specific geology, legacy well infrastructure, injection site design, and project planning as part of the CarbonSAFE Phase II TCCSP. Specially, the work performed under the CarbonSAFE Phase II has significantly furthered the advancement towards the commerciality of the TCCSP storage complex by delivering on the following objectives: Objective 1: Acquire site-specific characterization data to validate carbon dioxide (CO 2 ) storage estimates of reservoir units and the competency of confining layers in the region to prevent CO 2 leakage to develop a commercial-scale CO 2 project. Objective 2: Assess technical, economic, regulatory, and stakeholder aspects of the TCCSP.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Impact of gel concentration on filter fluxes in microfiltration of Hanford tank wastes and simulants

Abstract Treatment processes have been proposed that will utilize crossflow filtration to concentrate sludge waste streams at the Department of Energy's Hanford Site. Challenges associated with solid–liquid separation of the waste streams drive a necessary evaluation of available Hanford high level waste (HLW) filtration data. Limiting flux conditions during crossflow filtration are elucidated with the formation of a cake layer on the membrane surface. A mass transfer coefficient between the gel and bulk concentrations plays a critical role in determining filter flux. A correlation between the gel concentration and mass transfer coefficient is made to assist in determining filter performance of select HLW streams. As a process alternative to crossflow filtration, gravity settling of waste streams may be deployed as a solid–liquid separation technique. However, this results in a contrasting performance with the centrifuged solids concentration. A method was developed to estimate expected filtration and settling performance based on physical characterization data for Hanford tank waste samples. By assessing the estimated processing performance of HLW, technical support can be provided during flowsheet planning.

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

SORTIE DB - Source term integrated environmental management disposal facility database - 15249

The Environmental Management Disposal Facility (EMDF) in Oak Ridge, Tennessee, is a proposed U.S. Department of Energy low-level Comprehensive Environmental Response Compensation and Liability Act (CERCLA) waste disposal facility with an operational start in the early 2020's. As a DOE low-level waste disposal facility, it is subject to DOE Order 435.1, requiring a composite analysis and possibly a performance assessment. The Source Term Integrated EMDF Data Base - SORTIE DB - provides source term estimates used in these assessments. An Oak Ridge Office of Environmental Management (OREM) Federal and Contractor team developed this state-of-the-art descriptive analytics and visualization schema. DOE OREM senior management has recognized complementary beneficial uses of SORTIE DB in decisions for accelerating clean-up progress, dealing with conflicting sequencing and budget priorities, and enhancing stakeholder and regulatory interfaces. SORTIE DB is designated as an OREM planning tool. SORTIE DB contains estimated forecast waste volumes and masses for over 800 Decontamination and Decommissioning (D and D) and Remedial Action (RA) sequenced baseline packages over the next 25+ years. Available characterization data, radionuclide identification and concentrations, and data from safety basis and emergency management documents are incorporated into SORTIE DB. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2016

Advanced Drying Process for Lower Manufacturing Cost of Electrodes

For this Vehicle Technologies Incubator/Energy Storage R&D topic, Lambda Technologies teamed with Navitas Systems and proposed a new advanced drying process that promised a 5X reduction in electrode drying time and significant reduction in the cost of large format lithium batteries used in PEV's. The operating principle of the proposed process was to use penetrating radiant energy source Variable Frequency Microwaves (VFM), that are selectively absorbed by the polar water or solvent molecules instantly in the entire volume of the electrode. The solvent molecules are thus driven out of the electrode thickness making the process more efficient and much faster than convective drying method. To evaluate the Advanced Drying Process (ADP) a hybrid prototype system utilizing VFM and hot air flow was designed and fabricated. While VFM drives the solvent out of the electrode thickness, the hot air flow exhausts the solvent vapors out of the chamber. The drying results from this prototype were very encouraging. For water based anodes there is a 5X drying advantage (time & length of oven) in using ADP over standard drying system and for the NMP based cathodes the reduction in drying time has 3X benefit. For energy savings the power consumption measurements were performed to ADP prototype and compared with the convection standard drying oven. The data collected demonstrated over 40% saving in power consumption with ADP as compared to the convection drying systems. The energy savings are one of the operational cost benefits possible with ADP. To further speed up the drying process, the ADP prototype was explored as a booster module before the convection oven and for the electrode material being evaluated it was possible to increase the drying speed by a factor of 4, which could not be accomplished with the standard dryer without surface defects and cracks. The instantaneous penetration of microwave in the entire slurry thickness showed a major advantage in rapid drying of the electrode materials. For the existing electrode materials, the material analysis and cell characterization data from ADP dried electrodes showed equivalent (or slightly better) performance. However, for high loading and thicker electrode materials (for high energy densities) the ADP advantages are more prominent. There was less binder migration, the resistance was lower hence the current capacities and retention of the battery cells were higher. The success of the project has enabled credible communications with commercial end users as well as battery coating line integrators. Goal is to scale ADP up for high volume manufacturing of Li-ion battery electrodes. The implementation of ADP in high volume manufacturing will reduce a high cost production step to bring the overall price of Li-ion batteries down. This will ultimately have a positive impact on the public by making electric and hybrid vehicles more affordable.

25 ENERGY STORAGE↗
DOE OSTI2018

Synthesis of black TiO2 with efficient visible-light photocatalytic activity by ultraviolet light irradiation and low temperature annealing

Highlights: • In this work, we have prepared black titanium dioxide (B-TiO{sub 2}) nanoparticals in combination with ultraviolet light and low temperature annealing. This method is simple, efficient and environmentally friendly. • The synthesis mechanism of the black B-TiO{sub 2} nanomaterials was analyzed by combining the different characterization data with the first-principles calculation results. • The Ti-O lattice and structure of the B-TiO{sub 2} sample did not change after low-temperature annealing. • The process of H-doping results in a reduction of the localized Ti{sup 3+} states, that are also the recombination centers of excited electrons and holes. • These nanoparticles can absorb a amount of visible light and degrade the organic pollution. - Abstract: Herein, a simple, efficient, and environmentally friendly strategy to prepare black TiO{sub 2} nanoparticles has been reported; the procedure combines the ultraviolet light irradiation and low-temperature annealing (300 °C) with continuous N{sub 2} flow under atmospheric pressure. The samples were characterized by the various techniques, such as X-ray diffraction, high resolution transmission electron microcopy, Raman spectroscopy, X-ray photoelectron spectroscopy. The photocatalytic degradation of the organic contaminant Rhodamine B was investigated when black TiO{sub 2} nanoparticles was irradiaed with ultraviolet light and visible light. The black TiO{sub 2} material possesses an anatase phase and is able to absorb a high amount of photon energy in the visible light region, effectively driving photochemical degradation reactions. The enhancement of the photocatalytic activity can be attributed to the following: first, the hydrogen ions decrease the localized Ti{sup 3+} states (which are also the e{sup −}-h{sup +} recombination centers) leading to a more efficient separation of the electron-hole pairs; secondly, the conduction band electrons in black TiO{sub 2} nanoparticles are responsible for strong absorption of visible light. Consequently, the photocatalytic degradation of Rhodamine B can be significantly enhanced using black TiO{sub 2} nanoparticles. This work proves that hydrogenated black TiO{sub 2} promotes the absorption of the entire electromagnetic spectrum and exhibits high photocatalytic activity under solar light irradiation.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2014

Characterization of starting minerals to be used in kinetic experiments

Lawrence Livermore National Laboratory is expanding the geochemical for kinetic database for minerals identified in EGS shear stimulation zones to 300°C. In this report we present characterization data for select fracture filling minerals prior to reaction at elevated temperature. We have measured the surface area, chemical composition and crystal structure for illite, phologopite, and biotite. We are currently purchasing smectite from a different source because our initial source proved to be of poor quality. The minerals were ground and mechanically sieved and separated into the desired size fraction (150-250 µm). In keeping with previously published geochemical experimental work on similar layered silicates (e.g., Sass et al., 1987; Kohler et al., 2003), this size fraction was further treated with an acid wash to remove potential carbonate impurities (Zavarin et al., 2012). The mineral separates were then dried and re-sieved, and stored for further characterization analysis and kinetic experimentation.

15 GEOTHERMAL ENERGY↗
DOE OSTI2020

Rare earth metals from secondary sources: Review of potential supply from waste and byproducts

Current concerns about lack of diversity in supply of critical metals have spurred research into utilizing domestic sources, particularly from waste streams. Sustainability strategies like urban mining, industrial symbiosis, and the circular economy suggest avenues to realize new supplies of critical metals. In this work we explore the resource and economic potential for extracting rare earth elements (REEs) from industry byproducts (e.g. coal combustion products, red mud) and secondary sources (e.g. waste electronics and light bulbs). Combining materials flow analysis and characterization data, we find that while REE concentrations in waste and byproduct streams are mostly much lower than current REE ores, some secondary sources are richer than ores in high value REEs such as scandium. The quantities of REEs contained in secondary sources could meet current global demand even with low extraction yield rates. Phosphogypsum, coal ash and red mud from aluminum production stand out as promising candidates for recovery due to high concentrations of valuable REEs and sufficient quantities to potentially meet demand. Processes to extract REEs from secondary sources are under development, it is not clear yet which will be profitable at scale and which can be achieved at least environmental impact. This work provides high level guidance on the potential of secondary sources by characterizing quality (concentrations of different rare earths) and quantity (mass of rare earths in global scale wastes and byproducts). This significant first step helps clarify directions for policy and research and development investments.

42 ENGINEERING↗
DOE OSTI2013

Exploration of High-Dimensional Scalar Function for Nuclear Reactor Safety Analysis and Visualization

The next generation of methodologies for nuclear reactor Probabilistic Risk Assessment (PRA) explicitly accounts for the time element in modeling the probabilistic system evolution and uses numerical simulation tools to account for possible dependencies between failure events. The Monte-Carlo (MC) and the Dynamic Event Tree (DET) approaches belong to this new class of dynamic PRA methodologies. A challenge of dynamic PRA algorithms is the large amount of data they produce which may be difficult to visualize and analyze in order to extract useful information. We present a software tool that is designed to address these goals. We model a large-scale nuclear simulation dataset as a high-dimensional scalar function defined over a discrete sample of the domain. First, we provide structural analysis of such a function at multiple scales and provide insight into the relationship between the input parameters and the output. Second, we enable exploratory analysis for users, where we help the users to differentiate features from noise through multi-scale analysis on an interactive platform, based on domain knowledge and data characterization. Our analysis is performed by exploiting the topological and geometric properties of the domain, building statistical models based on its topological segmentations and providing interactive visual interfaces to facilitate such explorations. We provide a user’s guide to our software tool by highlighting its analysis and visualization capabilities, along with a use case involving dataset from a nuclear reactor safety simulation.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Using research networks to create the comprehensive datasets needed to assess nutrient availability as a key determinant of terrestrial carbon cycling

A wide range of research shows that nutrient availability strongly influences terrestrial carbon (C) cycling and shapes ecosystem responses to environmental changes and hence terrestrial feedbacks to climate. Nonetheless, our understanding of nutrient controls remains far from complete and poorly quantified, at least partly due to a lack of informative, comparable, and accessible datasets at regional-to-global scales. A growing research infrastructure of multi-site networks are providing valuable data on C fluxes and stocks and are monitoring their responses to global environmental change and measuring responses to experimental treatments. These networks thus provide an opportunity for improving our understanding of C-nutrient cycle interactions and our ability to model them. However, coherent information on how nutrient cycling interacts with observed C cycle patterns is still generally lacking. Here, we argue that complementing available C-cycle measurements from monitoring and experimental sites with data characterizing nutrient availability will greatly enhance their power and will improve our capacity to forecast future trajectories of terrestrial C cycling and climate. Therefore, we propose a set of complementary measurements that are relatively easy to conduct routinely at any site or experiment and that, in combination with C cycle observations, can provide a robust characterization of the effects of nutrient availability across sites. In addition, we discuss the power of different observable variables for informing the formulation of models and constraining their predictions. Most widely available measurements of nutrient availability often do not align well with current modelling needs. This highlights the importance to foster the interaction between the empirical and modelling communities for setting future research priorities.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Evaluation of the Effect of Burnup Acceleration on UO 2 Microstructure Evolution

Accelerated fuel qualification (AFQ) is a methodology by which new nuclear fuels are developed in an accelerated time frame compared with historical fuel qualification approaches. AFQ generally relies on high-fidelity physics-based modeling and simulation tools to adequately describe fuel performance as well as on revolutionary methods to accelerate burnup accumulation and collect relevant data more quickly. This report summarizes the use of advanced fuel modeling and simulation tools to evaluate microstructures from commercially irradiated fuel and microstructures from proposed MiniFuel irradiations, in which burnup accumulation is accelerated while prototypic temperature conditions are maintained. In this milestone, we used the mesoscale fuel performance code MARMOT to model the evolution of irradiated UO 2 microstructures and their potential restructuring at high burnup. The simulation conditions were informed by BISON models of both commercially irradiated fuel and MiniFuel. A first set of simulations investigated the recrystallization behavior of fully dense microstructures and showed full recrystallization at burnups as low as 52 MWd/kgU at 950°C. However, these simulations did not account for the presence of fission gas bubbles (predicted by BISON). Therefore, a second set of simulations including fission gas bubbles was performed and indicated that at the lowest temperature considered (650°C), the porous UO 2 microstructures have the highest total Gibbs free energies and are likely to recrystallize earlier than higher temperature cases (800 and 950°C), which agrees with high-burnup fuel characterization data. The results also showed that at lower temperature (650°C), the total free energies of the PWR fuel and MiniFuel microstructures are not significantly different. However, at the highest temperature (950°C), MiniFuel microstructures have a lower free energy than that of the PWR fuel microstructure. The competing effects between the temperature-dependent grain nucleation rate and the reduction of the free energy of the microstructure at higher temperature as a result of diffusion indicated that restructuring may occur at even higher temperatures than those considered in this study. In addition to the microstructure evolution modeling efforts, the burnup gradient across a single fuel specimen was also considered. This evaluation was for the VXF-15 position of the High Flux Isotope Reactor (HFIR) using the code suite HFIRCON, which was developed to automate the workflow for evaluating targets and fuel as they are irradiated in HFIR. The burnup gradient evaluation showed a dependence on both the axial and radial locations within the specimen, with a maximum difference of 1.7 between the inner and outermost radial layers. This relationship was further supported by considering the fission product speciation with respect to location within the specimen, which showed a higher concentration of 239 Pu, 240 Pu, and 241 Pu on the outer radial locations of the specimen than the center. The findings of the burnup and speciation evaluation show that some amount of self-shielding is occurring in the specimen when irradiated in the high-flux environment of HFIR; however, this impact is more pronounced for natural uranium when compared to 6% enrichment due to the higher ratio of 238 U in the specimen. Further analyses are required to understand the sensitivity of this gradient to spatial mesh and enrichment of the specimen.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗