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At least 1,009 records · Page 56

Automatic information extraction from neutron radiography imaging to estimate axial fuel expansion in $\mathrm{EBR-II}$

Approximately 130,000 metal fuel pins were irradiated in the Experimental Breeder Reactor II (EBR-II) during its 30 years of operation to develop and characterize existing and prospective fuels. For many of the metal fuel irradiation experiments, neutron radiography imaging was performed to characterize fuel behavior, like fuel swelling. However, due to the lack of technology or resources, many of the images have not been processed or were processed manually through visual examination. This paper represents first-attempt to develop an image processing algorithm capable of automatically extracting information regarding the degree of fuel swelling from neutron radiography imaging. The algorithm was applied to 120 images of three different metallic fuel pin compositions—U-10Zr, U-8Pu-10Zr, and U-19Pu-10Zr. The algorithm performs operations of image intensity adjustment, image binarization, region finding, and labeling to extract information about fuel swelling. The average growth for U-10Zr was found to be 8.49% with 95% Confidence Interval (CI) [8.33 –8.66%], for U-8Pu-10Zr — 7.50% with 95% CI [7.23 – 7.78%], and for U-19Pu-10Zr — 3.15%, with 95% CI [2.40 – 3.91%]. The results obtained by applying this automatic image processing algorithm are consistent with previously reported studies of the same types of fuels. The automatic image processing algorithm will be expanded to include thousands of available neutron radiography images and different types of fuels to investigate empirical dependencies of fuel swelling, which can be subsequently applied to advanced fuel modeling. Results from this study can later be compared to BISON simulations to further benchmark modeling efforts and develop assessment cases.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Usability Evaluation of the Innovation Portal and Integrated Capability Analysis Platform

The usability evaluation of the ICAP and IP tools was conducted as part of the United States (U.S.) Department of Energy (DOE) Light Water Reactor Sustainability (LWRS) ION effort with two evaluators for the Idaho National Laboratory. Many nuclear operations in the United States are facing challenges of increased business, operations, and maintenance costs due to subsidized renewables and natural gas. The commercial NPP industry has looked to other industries to develop methods such as Integrated Operations (IO) to use available technologies to reduce operating costs. One concept for reducing costs that has been developed is the Integrated Operations for Nuclear (ION). A capability Stack model was developed as part of the ION effort to break down information related to People, Technology, Processes, and Governance (PTPG). The Innovation Portal (IP) and Integrated Capability Analysis Platform (ICAP) were created from the Capability Stack model as part of the ION effort to help utilities reduce O&M costs by identifying work reduction opportunities. Two heuristic evaluations and a cognitive walkthrough of the ICAP and IP tools were completed to identify usability issues to further develop the tools for use in the ION effort. Usability issues identified were rated by priority levels and across both tools. The priority levels identified were high (5), medium (11), and low (10). Recommendation were made to help reduce usability issues of the systems and help increase the user response rate of using the systems once they are implemented for utilities. Future work on designs for the IP tool and additional heuristic evaluations and external testing are being developed to continue refinement of the ICAP and IP tools for the ION effort.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

High-Temperature Latent Heat Storage System using Transportable Heat Pipes for Versatile Integration with Emerging Microreactors

With the growing interest in the development of micro nuclear reactors and their application to microgrid, high-temperature thermal energy storage (TES) has also been receiving great attention as a technology to reinforce the energy utilization and profitability of this class of reactors. Given the importance and research needs of the TES technology, a research project is underway at Idaho National Laboratory (INL) to develop high-temperature TES that can be easily interfaced with emerging micro nuclear reactors. Currently under development is the Heat pipe-Integrated Thermal Battery (HITB), a novel latent heat storage design that enables flexible and robust integration with any design of currently considered micro nuclear reactors. The development of detailed design based on the proposed TES concept, HITB, requires not only development and validation of modeling and simulation capabilities, but also research that spans thermal performance analysis, component- and system-scale design optimization, and experimental demonstrations including high-temperature feasibility testing. The current research efforts (and plans) are divided into the following four areas: (i) Thermal and structural modeling and analysis at both system- and component-scales for evaluating performance and conducting design optimization, (ii) Small-scale experimental demonstrations for the key components of the proposed HITB design, (iii) Modelica-based dynamic model development for developing a control strategy under dynamic operation within integrated energy systems configuration, (iv) Integrated experimental testing and demonstration. This paper introduces the overall research efforts that have been and are being conducted to develop and demonstrate the novel design of the high-temperature latent heat storage device, HITB. The key design features, ongoing research efforts including the development of modeling and simulation capabilities, small-scale demonstrations of the HITB’s key functionalities prior to scaled-up experimental demonstration, are discussed. Then, this paper concludes with a remark on the future research plans for this project.

25 ENERGY STORAGE↗

Forced Crowding of Colloids by Thermophoresis and Convection in a Custom Liquid Clusius–Dickel Microdevice

Here, we report a study demonstrating that simultaneous induction of a steady-state convection current and temperature gradient in a confined geometry can be an effective way to force crowding of dissolved particulates. To investigate this thermogravitationally driven concentration of particles in-situ, we developed a micro-device capable of sustaining controlled transverse temperature gradients within a 5 cm long, 0.1 mm inner diameter capillary that allowed visualization of particle movement with standard optical microscopy. Experiments were conducted on two material systems representative of nano-scale small molecules and micro-scale particles. With the small molecules (aromatic dyes, 530-790 g/mol, 1-1.5 nm) thermophoretic and gravitational effects in the micro-device resulted in an asymmetrical 2x concentration change along the capillary height over 3 days. In contrast, the concentration change under similar conditions for 40-micron diameter latex colloids is 50-fold in 30 minutes. This dramatic difference in separation times is consistent with simulations and models of thermophoresis where the thermophoretic effect scales with particle size. Induced crowding of particulates leads to formation of accumulation and depletion zones in at the bottom and top of the capillary respectively. Both the concentration of dye molecules over time in the depletion zone and spatial distribution of colloids over the entire capillary length were found to be good fits to simple first-order exponential decay functions. Furthermore, these results suggest potential applications of thermogravitational separation in developing new functional materials via thermophoretic and convective effects.

36 MATERIALS SCIENCE↗

CSP Gen3: Liquid-Phase Pathway to SunShot

The United States Department of Energy (DOE) established the Concentrating Solar Power Generation 3 (CSP Gen3) program to promote the development of advanced CSP systems capable of producing electricity at a levelized cost of energy (LCOE) less than $60/MWh, based on criteria published in the CSP Gen3 Roadmap and a subsequent funding opportunity announcement (Gen3 FOA). This report documents the progress and potential of the “Liquid Pathway” to meet these objectives. The Liquid Pathway proposes the use of low-cost molten chloride salts for energy storage, mated with an operationally flexible solar receiver that employs liquid-metal sodium for heat capture and transfer to the storage salt. This approach leverages molten-salt technology from the current state-of-the-art CSP power towers embodied by plants such as Gemasolar, Crescent Dunes, Noor III, and the DEWA 700 CSP project. Furthermore, the design builds on the knowledge gained over decades of use of liquid-metal sodium as a high-temperature heat transfer fluid (HTF) in solar tests and nuclear-power applications. The commercial representation of the proposed Gen3 design incorporates a high-efficiency sodium receiver operating at ~740°C, with a liquid-liquid heat exchanger feeding a two-tank, molten-chloride salt storage system. Chloride salt is dispatched to a supercritical CO 2 (sCO 2 ) power cycle to provide electric power to the grid. The design integration is a conceptual match for the current sodium receiver → solar salt storage → steam-Rankine power cycle promoted by developer Vast Solar, which may facilitate commercial acceptance and development.

14 SOLAR ENERGY↗

III-V PV Cell Core Capability (Final Technical Report)

This Core project developed III-V photovoltaics for terrestrial applications, focusing on high efficiency architectures and on cost-reduction. III-V cells have demonstrated the highest efficiencies of any photovoltaic materials system, reaching over 30% for two- junction tandems and over 47% for more complex concentrator cells. III-Vs have other characteristics that make them attractive to a range of terrestrial and near-terrestrial energy applications, such as being direct absorbers, lightweight and potentially flexible, having good thermal coefficient, good radiation hardness, and being very stable and durable. Cost is a key challenge with III-Vs, however, because of the high cost of epitaxy and processing.

14 SOLAR ENERGY↗

Radiochemical capabilities for astrophysics experiments at the national ignition facility

The Nuclear and Radiochemistry Group at Lawrence Livermore National Laboratory (LLNL) has developed a suite of diagnostics and techniques that can be used for astrophysics experiments at the National Ignition Facility (NIF). Capabilities have been developed to add material to the outside of NIF hohlraum assemblies as well as to the interior of NIF target capsules or the fill gas. The ability to place very small amounts of material close to the NIF target enables activation with very large, short-pulse neutron fluxes. The Solid Radiochemistry Diagnostic can be used to collect solid debris from a NIF shot within 2 h of the execution of a shot, and this can be analyzed for radioactive signatures with or without post-shot chemical processing. The Radiochemical Analysis of Gaseous Samples diagnostic system can be used to collect gaseous products produced during a NIF shot. Capsule doping and radiochemical analysis capabilities at NIF will be discussed. The application of these techniques to astrophysical measurements will be discussed as well as some preliminary results.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

LLM Benchmarking with LLaMA2: Evaluating Code Development Performance Across Multiple Programming Languages

The rapid evolution of large language models (LLMs) has opened new possibilities for automating various tasks in software development. This paper evaluates the capabilities of the LLaMA 2-70B model in automating these tasks for scientific applications written in commonly used programming languages. Using representative test problems, we assess the model's capacity to generate code, documentation, and unit tests, as well as its ability to translate existing code between commonly used programming languages. Our comprehensive analysis evaluates the compilation, runtime behavior, and correctness of the generated and translated code. Additionally, we assess the quality of automatically generated code, documentation, and unit tests. Here, our results indicate that while LLaMA 2-70B frequently generates syntactically correct and functional code for simpler numerical tasks, it encounters substantial difficulties with more complex, parallelized, or distributed computations, requiring considerable manual corrections. We identify key limitations and suggest areas for future improvements to better leverage AI-driven automation in scientific computing workflows.

97 MATHEMATICS AND COMPUTING↗

Parts-Per-Million Carbonate Mineral Quantification with Thermogravimetric Analysis–Mass Spectrometry

Mitigating the deleterious effects of climate change requires the development and implementation of carbon capture and storage technologies. To expand the monitoring, verification, and reporting (MRV) capabilities of geologic carbon mineralization projects, we developed a thermogravimetric analysis–mass spectrometry (TGA–MS) methodology to enable quantification of <100 ppm calcite (CaCO 3 ) in complex samples. We extended TGA–MS calcite calibration curves to enable a higher measurement resolution and lower limits of quantification for evolved CO 2 from a calcite–corundum mixture. We demonstrated <100 ppm carbonate mineral quantification with TGA–MS for the first time, an outcome applicable across earth, environmental, and materials science fields. We applied this carbonate quantification method to a suite of Columbia River Basalt Group (CRBG) well cuttings recovered in 2009 from Pacific Northwest National Laboratory’s Wallula #1 Well. Our execution of this new combined calcite and calcite–corundum calibration curve TGA–MS method on our CRBG sample suite indicated average carbonate contents of 0.050 wt % in flow interiors (caprocks) and 0.400 wt % in interflow zones (reservoirs) in the upper 1250 m of the Wallula #1 Well. Finally, by advancing our knowledge of continental flood basalt-hosted carbonates in the mafic subsurface and reaching new TGA–MS quantification limits for carbonate minerals, we expand MRV capabilities and support the commercial-scale deployment of carbon mineralization projects in the Pacific Northwest United States and beyond.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Low-Cost, High Performance Catalyst Coated Membranes for PEM Water Electrolyzers (Final Technical Report)

In this project, the objective was to develop reduced-cost manufacturing techniques capable of producing proton exchange membrane water electrolyzer (PEMWE) catalyst coated membranes (CCMs) with further improved performance relative to then-current 3M CCM technology. Processes to be developed would enable 1) production of 0.5 m wide CCMs (approximately 2x wider than produced by the current laboratory/pilot-scale processes) and 2) 3x higher net-effective linear rates (lineal-meters of CCM produced per cumulative process time) than the baseline CCM process. In combination, the wider width CCM and increased net-effective linear rates would result in a 6-fold decrease in CCM manufacturing cost (defined as cumulative machine and labor time) per m 2 of CCM produced. PEMWE CCMs produced with these optimized processes were targeted to produce 1) 0.25 A/cm 2 or greater at 1.5 V, 2) 2.0 A/cm 2 or greater at 1.75 V and 3) 4 A/cm 2 or greater at 1.95V, 4) with total catalyst platinum-group metal (PGM) loadings of ≤ 0.50 mg/cm 2 , measured in a cell with 50 cm 2 active area (or larger) at 80°C cell temperature and ambient outlet pressures.

08 HYDROGEN↗

CLimate Impact: Determining Etiology thRough pAthways (CLDERA)

Climate impacts have broad economic, health, political, and national security ramifications. Societally relevant impacts are typically farther downstream, are the product of multiple interacting processes, and can arise over small regions and timeframes because their sources are short-term and localized. Short-term forcings (as can be seen in volcanic eruptions, climatic tipping points (e.g., the collapse of rainforests or the disappearance of sea ice), or in increasingly plausible climate interventions) fundamentally possess low signal-to-noise and could benefit from accounting for the multiple conditional processes through which a downstream impact arises. Under the Grand Challenge LDRD CLDERA (CLimate impacts: Discovering Etiology thRough pAthways), we have developed tools to enable downstream impact attribution from geographically and temporally localized source forcings in the climate. CLDERA developed methods that can distinguish how a localized source drives the climate system to respond with particular impacts. The how is embodied in pathways – the spatio-temporally evolving chain of physical processes that connects a source to a series of increasingly distant impacts. Novel analytic methods in pursuit of downstream impact attribution were developed and demonstrated on simulations and observations of the 1991 eruption of Mt. Pinatubo in the Philippines. As described within this report we have • developed stratospheric expertise and aerosol modeling capabilities in E3SM, • created original methods to detect and model pathways from source-to-impact, and • advanced climate attribution through novel methods, cases, and approaches. Further, CLDERA developed a tiered verification process consisting of controlled datasets to prototype, verify, and refine the original method development. CLDERA increased Sandia’s footprint in the climate analytics community and developed new climate collaborations whilst also creating a cadre of climate analysts at Sandia. The products from CLDERA have been extensive with a total of 9 journal articles published, 12 articles submitted and under review, and an additional 8 articles in preparation. We have produced 1750 simulated years and developed 9 code-bases. This report details these accomplishments and serves as a summary of the work completed during the CLDERA Grand Challenge.

54 ENVIRONMENTAL SCIENCES↗

The Dual-Axis Radiographic Hydrodynamic Test Facility Capability eXpansion (DCX) Strategy

This document details the strategy proposed to meet the National Nuclear Security Administration (NNSA) requirement for the Dual-Axis Radiographic Hydrodynamic Test (DARHT) Facility Sustainment and Modernization projects identified in multiple NNSA Stockpile Stewardship and Management Plan (SSMP) reports to Congress [NNSA, 2020; 2021; 2022; 2023; 2024]. DARHT has become indispensable for the certification of the primaries of U.S. nuclear weapons since the current U.S. moratorium halted underground nuclear testing more than 30 years ago. However, aging facilities, evolving technology, and other issues are limiting or threatening the capability of DARHT to meet NNSA’s expanding mission needs now and into the future. This DARHT Capability eXpansion (DCX) strategy was developed to address NNSA needs by extending DARHT’s reliability and resilience, increasing the quality and quantity of DARHT data, and enabling hydrodynamic measurements in complex environments. The strategy can be implemented through integration of line-item projects, acquisition of major items of equipment, and other actions coordinated with the execution of the SSMP. This strategy document is intended for U.S. Government officials, particularly authorizers, appropriators, and program leaders. It may also be furnished to DARHT users, customers, collaborators, stakeholders, and visitors as needed

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Operational Uncrewed Aircraft Systems Development for Meteorology and Atmospheric Physics Field Campaign Report

The overarching goal of the project is to develop integrated small, unmanned aircraft systems (SUAS) capabilities for enhanced atmospheric physics measurements. This team included atmospheric scientists, meteorologists, engineers, computer scientists, geographers, and chemists necessary to evaluate the needs and develop the advanced sensing and imaging, robust autonomous navigation, enhanced data communication, and data management capabilities required to use SUAS in atmospheric physics. The flight campaigns at the Southern Great Plains (SGP) U.S. Department of Energy Atmospheric Radiation Measurement (ARM) observatory were an integrated evaluation of the systems in coordinated field tests. This enabled sensor testing, and validation of SUAS technology and integration of unmanned aircraft into the airspace. The set of experiments enabled evaluation and progression of remote UAS deployment operations with observing atmospheric sensors. Each flight test endeavor was notable for the significant lessons learned during every deployment event. Team size and roles, equipment use, aircraft instruments, meteorological instruments, and deployment logistics, were all evaluated and improved at every flight-testing day. The details of these are further discussed in the Results section.

54 ENVIRONMENTAL SCIENCES↗

Distributed Wind Representation in Modeling and Simulation Tools: An Assessment of Existing Tools

PNNL evaluated the inclusion of wind in distributed energy resource modeling and simulation tools. Tools were assessed based on a survey of publicly available and readily accessible information. While the authors have made a good faith effort to understand these tools, PNNL does not know the intentions of the developers and acknowledges that some tool capabilities or features may not have been accurately captured in this assessment. This evaluation informs an ongoing effort by PNNL to modernize existing tools both directly by working with developers of some tools and indirectly by providing best practices on how different types of tools could enhance certain modeling features to improve distributed wind’s representation and valuation.

17 WIND ENERGY↗

Ductile Glassy Polymer Networks Capable of Large Plastic Deformation and Heat-Induced Elastic Recovery

Many thermoplastic polymers are ductile by combining strength and large deformations. These deformations are irreversible - known as plastic deformation. Elastomers can deform reversibly but have low strength. To this end, we developed glassy and ductile polyamide networks capable of large plastic deformation (>200% strain) and high strength (~50 MPa tensile strength and ~1500 MPa Young’s modulus), similar to those of polyolefins and Nylon-66. We discovered that hydrogen bonding between meta-phthalamide groups was essential to the ductility. Since these polyamide networks are covalently bonded, we demonstrated their unique durability by repeatable elastic recovery at elevated temperatures, exhibiting indifferent tensile properties in each cycle. Furthermore, when we fixed the strain during the elastic recovery, these polyamide networks actuated stresses of 9–18 MPa, among the highest reported in shape-memory polymer actuators. Here, we envision these ductile, glassy polymer networks as promising alternatives to ductile thermoplastics, given the combined benefit of ductility and durability.

36 MATERIALS SCIENCE↗

MOOSE ProbML: Parallelized probabilistic machine learning and uncertainty quantification for computational energy applications

Here, this paper presents the development and demonstration of massively parallel probabilistic machine learning (ML) and uncertainty quantification (UQ) capabilities within the Multiphysics Object-Oriented Simulation Environment (MOOSE), an open-source computational platform for parallel finite element and finite volume analyses. In addressing the computational expense and uncertainties inherent in complex multiphysics simulations, this paper integrates Gaussian process (GP) variants, active learning, Bayesian inverse UQ, adaptive forward UQ, Bayesian optimization, evolutionary optimization, and Markov chain Monte Carlo (MCMC) within MOOSE. It also elaborates on the interaction among key MOOSE systems — Sampler, MultiApp, Reporter, and Surrogate — in enabling these capabilities. The modularity offered by these systems enables development of a multitude of probabilistic ML and UQ algorithms in MOOSE. Example code demonstrations include parallel active learning and parallel Bayesian inference via active learning. The impact of these developments is illustrated through five applications relevant to computational energy applications: UQ of nuclear fuel fission product release, using parallel active learning Bayesian inference; very rare events analysis in nuclear microreactors using active learning; advanced manufacturing process modeling using multi-output GPs (MOGPs) and dimensionality reduction; fluid flow using deep GPs (DGPs); and tritium transport model parameter optimization for fusion energy, using batch Bayesian optimization. These capabilities are part of the MOOSE framework.

97 - MATHEMATICS AND COMPUTING↗

Hypothesis Learning in Automated Experiment: Application to Combinatorial Materials Libraries

Machine learning is rapidly becoming an integral part of experimental physical discovery via automated and high-throughput synthesis, and active experiments in scattering and electron/probe microscopy. This, in turn, necessitates the development of active learning methods capable of exploring relevant parameter spaces with the smallest number of steps. In this work, an active learning approach based on conavigation of the hypothesis and experimental spaces is introduced. This is realized by combining the structured Gaussian processes containing probabilistic models of the possible system's behaviors (hypotheses) with reinforcement learning policy refinement (discovery). This approach closely resembles classical human-driven physical discovery, when several alternative hypotheses realized via models with adjustable parameters are tested during an experiment. This approach is demonstrated for exploring concentration-induced phase transitions in combinatorial libraries of Sm-doped BiFeO 3 using piezoresponse force microscopy, but it is straightforward to extend it to higher-dimensional parameter spaces and more complex physical problems once the experimental workflow and hypothesis generation are available.

36 MATERIALS SCIENCE↗

Triggering C-N Coupling on Metal Oxide Nanocomposite for the Electrochemical Reduction of CO 2 and NO x ⁻ to Formamide

The co-electroreduction of CO 2 and NO x ⁻ (NO 3 ⁻ /NO 2 ⁻ ) to generate formamide (HCONH 2 ) offers an opportunity for downstream chemical and polymer manufacturing decarbonization; however, significant challenges lie in the C-N coupling and the associated low product selectivity. Herein, p-block metal oxides are incorporated in copper oxides to provide more accessible active sites for reactant adsorption and activation, tuning the reaction selectivity toward the formamide production. Through in situ Raman and synchrotron-based infrared spectroscopy measurements, C-N bond formation is demonstrated in real-time with the CuO x /BiO x catalyst, where the C-N bond is detected via a *CHO and *NH 2 intermediates formation, in agreement with the density functional theory calculations. When tested in a flow electrolyzer, a formamide yield rate of 134 ± 11 mmol h -1 g cat -1 is reported, the first report of co-electroreduction of CO 2 and NO x ⁻ to formamide beyond conventional H-cell measurements. These new insights on the C-N coupling mechanisms and scale-up capability provide directions for further development of electrocatalysts for the formamide production.

36 MATERIALS SCIENCE↗