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DOE OSTI2025

Southwest Regional Partnership on Carbon Sequestration: Phase III (Final Scientific/Technical Report)

The Southwest Regional Partnership on Carbon Sequestration (SWP) is one of 7 regional partnerships formed in 2003 under the U.S. Department of Energy’s (DOE) Regional Carbon Sequestration Partnerships (RCSPs) initiative. The overall purpose of the initiative was to help determine and implement the technology, infrastructure, and regulations most appropriate to promote carbon storage in different regions of the country. Covering Arizona, Colorado, New Mexico, Oklahoma, Utah, and parts of Texas, Wyoming, and Kansas, the SWP evaluated regional carbon storage and utilization potential and focused on technologies and sites that could complement the region’s strong position in energy production. The project progressed through three phases: • Phase I (2003–2005): Characterized regional geologic formations and CO 2 sources, assessed sequestration potential, and identified pilot test sites. • Phase II (2005–2013): Conducted small-scale field tests to validate sequestration methods, including geologic and terrestrial projects. • Phase III (2008–2022): Demonstrated large-scale CO 2 injection at a commercial oil field to test monitoring, verification, and long-term storage strategies. This report covers Phase III. The final project site, the Farnsworth Unit (FWU) in Texas, provided real-world testing of reservoir characterization, monitoring, and risk evaluation tools and processes that could be used in any commercial scale carbon capture, utilization, and storage (CCUS) project. Extensive data collection and analysis helped refine best practices for reservoir characterization, injection monitoring, and storage verification. The SWP contributed to national databases, DOE best practice manuals, and regional geological assessments to support future sequestration efforts. Key lessons learned include the importance of robust data management, strategic site selection, regulatory navigation, and effective industry collaboration. The project’s findings will inform ongoing and future carbon storage initiatives. Task 1 (Regional Characterization) • The SWP continued to participate in national outreach efforts and NATCARB. • The SWP evaluated multiple potential sites before selecting the FWU as the primary field test location. Task 2 (Public Outreach and Education) • The SWP contributed to national databases, DOE best practice manuals, and regional geological assessments to support future sequestration efforts. Task 3 (Permitting and Regulatory Compliance) • The SWP ensured compliance with federal and state regulations, including National Environmental Policy Act (NEPA) requirements. • The SWP obtained all necessary permits for drilling, injection, and monitoring activities. Task 4 (Site Characterization and Planning) • The SWP developed work plans for four key activities: characterization, simulation, monitoring and verification, and risk evaluation. • The SWP collected and synthesized legacy data from multiple sources to build initial static geological models and dynamic reservoir models demonstrating project feasibility. • The SWP conducted an initial risk evaluation and developed mitigation plans. Task 5 (Field Operations and Data Collection) • The SWP drilled, logged, and cored three characterization wells to gather critical subsurface data. • The SWP conducted multiple geophysical surveys, including 3D seismic, crosswell seismic, and vertical seismic profiling, to improve reservoir characterization. Task 6 (Monitoring and Verification) • The SWP performed extensive geological characterization using data from characterization wells and seismic surveys. • The SWP established a surface monitoring network to track CO 2 flux in soil gas, groundwater chemistry, and near-surface atmospheric CO 2 levels. • The SWP built and refined reservoir models to study the effects of relative permeability on simulation behavior and improve calibration with experimental data. Task 7 (Risk Assessment and Model Refinement) • The SWP conducted multiple studies to evaluate reservoir integrity, predict CO 2 plume behavior and improve predictive modeling capabilities. • The SWP refined geological models and used them to enhance the accuracy of simulation models. • The SWP continued quantitative risk assessment of top-ranked risks and strengthened the link between qualitative and quantitative risk methodologies.

02 PETROLEUM↗
DOE OSTI2025

RAG for FLAG: AI Assistance for a Physics Code

Artificial intelligence (AI) has quickly become an important tool in scientific research, where significant efforts are underway to develop tools that will expedite the research process. One area of particular impact is scientific software, which can be particularly complex, and therefore time consuming to learn and use effectively. AI assistants are increasingly helping to streamline the process by performing tasks such as interactively answering user questions or suggesting solutions. Los Alamos National Laboratory (LANL) develops several advanced scientific codes, such as FLAG, which can be used to run multiphysics simulations. With this study, our goal was to develop an AI assistant for FLAG that could help make the process of understanding the software and running physics simulations more efficient. To develop an AI assistant for FLAG, we used a method called retrieval-augmented generation (RAG), which is a technique that uses information from relevant data sources to enhance the accuracy of large language models (LLMs). We used the FLAG user manual and other FLAG documentation as the knowledge base for the RAG system. When a user provides a query, RAG retrieves relevant sections from the knowledge base in response, then uses those excerpts to generate grounded and contextually rich answers. We found that our AI assistant was able to provide context aware answers and source references to user queries. To evaluate performance, we developed a set of 40 benchmark questions and compared the accuracy of the responses to those of two standard LLMs without retrieval. Our AI assistant significantly outperformed the standard LLMs at answering FLAG-related questions, with an 82.5% accuracy rate, compared to 47.5% for both of the standard LLMs. This has the potential to make the process of learning and using FLAG much easier, especially for new users. Ultimately, it supports LANL’s broader mission by empowering scientists and engineers to focus more on discovery and analysis rather than on navigating complex software systems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Chemistry and Reactivity of Oxide Films on Aluminum Clad Test Reactor Fuels

This paper describes recent work performed to assess the degradation of aluminum spent nuclear fuel (ASNF) as part of an ongoing Department of Energy project. As part of a multi-task effort, this paper specifically describes efforts initiated in 2018 to better understand chemical phenomena and degradation in ASNF). In this paper experimental and modeling activities are described. The modeling effort presents initial results in two areas potentially influencing stability. Using an established electrolyte model based on experimental data, the solubility of aluminum as a function of temperature and pH was examined. This work describes interesting results for the minimum pH providing relevant data that was not available from the literature. It was found that solubility increases with temperature and that the minimum pH shifts to low pH with increase in temperature. The second area involves understanding the metallurgy of aluminum alloys during fuel drying. In this study, the temperature range from 100°C to 300°C was analyzed. Thermodynamic models predict that AA1100 will not experience significant phase changes while the more highly alloyed AA6061 and AA5052 may experience significant phase changes. These thermodynamic measurements establish a potential for phase changes during drying, however they do not predict the kinetics for such processes. Phase 1 of the experimental program has initiated and results are forthcoming. The test program will examine aluminum oxidation under anticipated dry storage conditions (temperature and humidity). Examination of localized corrosion due to tight crevices and galvanic contact (with stainless steel) will be included. Finally, water deliquescence will be assessed using thermogravimetric analysis with dynamic humidity profiles.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2019

Chemistry and Reactivity of Oxide Films on Aluminum Clad Test Reactor Fuels - 19294

This paper describes recent work performed to assess the degradation of aluminum spent nuclear fuel (ASNF) as part of an ongoing Department of Energy project. As part of a multi-task effort, this paper specifically describes efforts initiated in 2018 to better understand chemical phenomena and degradation in ASNF). In this paper experimental and modeling activities are described. The modeling effort presents initial results in two areas potentially influencing stability. Using an established electrolyte model based on experimental data, the solubility of aluminum as a function of temperature and pH was examined. This work describes interesting results for the minimum pH providing relevant data that was not available from the literature. It was found that solubility increases with temperature and that the minimum pH shifts to low pH with increase in temperature. The second area involves understanding the metallurgy of aluminum alloys during fuel drying. In this study, the temperature range from 100 deg. C to 300 deg. C was analyzed. Thermodynamic models predict that AA1100 will not experience significant phase changes while the more highly alloyed AA6061 and AA5052 may experience significant phase changes. These thermodynamic measurements establish a potential for phase changes during drying, however they do not predict the kinetics for such processes. Phase 1 of the experimental program has initiated and results are forthcoming. The test program will examine aluminum oxidation under anticipated dry storage conditions (temperature and humidity). Examination of localized corrosion due to tight crevices and galvanic contact (with stainless steel) will be included. Finally, water deliquescence will be assessed using thermogravimetric analysis with dynamic humidity profiles. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2017

Effects of adaptive automation on operator-system performance - 103

Adaptive automation (AA) is the dynamic, real-time change in the degree of automation in response to situational changes. AA systems are being developed in many industries, including for nuclear power plant applications. AA is a promising means of mitigating human performance issues that often arise in highly automated systems. The purpose of this Nuclear Regulatory Commission study was to characterize important AA design features, define the effects of AA on performance, examine the human factors engineering (HFE) guidance available to design and evaluate AA systems, and identify research and development needs. In general, we found that AA improves task performance and situation awareness (SA) while managing workload. Although the research is limited, AA also supports operator recognition of automation failure and recovery. Research on human-system interfaces has identified principles showing promise for supporting SA, including failure detection, and limiting workload. Research further suggests that AA systems are both more effective, and less disruptive and distracting, when they follow rules of interaction similar to those used by human crewmembers. Our general conclusion about the HFE guidance available to designers and reviewers is that it is limited and has not kept pace with automation technology. We discuss several research and development needs that will help support a better understanding of where and how AA should be used and support the development of more comprehensive guidance for AA safety reviews. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2016

Results Of Hg Speciation Testing On DWPF SMECT-1, SMECT-3, And SMECT-5 Samples

The Savannah River National Laboratory (SRNL) was tasked with preparing and shipping samples for Hg speciation by Eurofins Frontier Global Sciences, Inc. in Seattle, WA on behalf of the Savannah River Remediation (SRR) Mercury Task Team. The thirteenth shipment of samples was designated to include Defense Waste Processing Facility (DWPF) Slurry Mix Evaporator Condensate Tank (SMECT) from Sludge Receipt and Adjustment Tank (SRAT) Batch 736 and 738 samples. Triplicate samples of each material were prepared for this shipment. Each replicate was analyzed for seven Hg species: total Hg, total soluble (dissolved) Hg, elemental Hg [Hg(0)], ionic (inorganic) Hg [Hg(I) and Hg(II)], methyl Hg [CH 3 Hg-X, where X is a counter anion], ethyl Hg [CH 3 CH 2 -Hg-X, where X is a counter anion], and dimethyl Hg [(CH 3 ) 2 Hg]. The difference between the total Hg and total soluble Hg measurements gives the particulate Hg concentration, i.e. Hg adsorbed to the surface of particulate matter in the sample but without resolution of the specific adsorbed species. The average concentrations of Hg species in the aqueous samples derived from Eurofins reported data corrected for dilutions performed by SRNL are tabulated.

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

The Roles and Developments needed for Diagnostics in the ITER Fusion Device

Harnessing the power from Fusion on earth is an important and challenging task. Excellent work has been carried out in this area over the years with several demonstrations of the ability to produce power. Now, a new large device is being constructed in the south of France. This is called ITER. ITER is a large-scale scientific experiment that aims to demonstrate a possibility to produce commercial energy from fusion. This project is now well underway with the many teams working on the construction and completing various aspects of the design. This device will carry up to 15 MA of plasma current and produce about 500 MW of power, 400 MW approximately in high energy neutrons. The typical temperatures of the electrons inside this device are in the region of a few hundred million Kelvin. It is maintained using a magnetic field. This device is pushing several boundaries from those currently existing. As a result of this, several technologies need to be developed or extended. This is especially true for the systems or diagnostics that measure the performance and provide the control signals for this device. A diagnostic set will be installed on the ITER machine to provide the measurements necessary to control, evaluate and optimize plasma performance in ITER and to further the understanding of plasma physics. These include amongst others, measurements of the plasma shape, temperature, density, impurity concentration, and particle and energy confinement times. The system will comprise about 45 individual measuring systems drawn from the full range of modern plasma diagnostic techniques, including magnetics, lasers, X-rays, neutron cameras, impurity monitors, particle spectrometers, radiation bolometers, pressure and gas analysis, and optical fibres. These devices will have to be made to work in the new and challenging environment inside the vacuum vessel. These systems will have to cope with a range of phenomena that extend the current knowledge in the Fusion field. One amongst them is the parasitic effect of the neutrons on the while all the performing with great accuracy and precision. The levels of neutral particle flux, neutron flux and neutron fluence will be respectively about 5, 10 and 10,000 times higher than the harshest experienced in today's machines. The pulse length of the fusion reaction-or the amount of time the reaction is sustained-will be about 100 times longer. (authors)

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

A two-stage method for microcalcification cluster segmentation in mammography by deformable models

Purpose: Segmentation of microcalcification (MC) clusters in x-ray mammography is a difficult task for radiologists. Accurate segmentation is prerequisite for quantitative image analysis of MC clusters and subsequent feature extraction and classification in computer-aided diagnosis schemes. Methods: In this study, a two-stage semiautomated segmentation method of MC clusters is investigated. The first stage is targeted to accurate and time efficient segmentation of the majority of the particles of a MC cluster, by means of a level set method. The second stage is targeted to shape refinement of selected individual MCs, by means of an active contour model. Both methods are applied in the framework of a rich scale-space representation, provided by the wavelet transform at integer scales. Segmentation reliability of the proposed method in terms of inter and intraobserver agreements was evaluated in a case sample of 80 MC clusters originating from the digital database for screening mammography, corresponding to 4 morphology types (punctate: 22, fine linear branching: 16, pleomorphic: 18, and amorphous: 24) of MC clusters, assessing radiologists’ segmentations quantitatively by two distance metrics (Hausdorff distance—HDIST{sub cluster}, average of minimum distance—AMINDIST{sub cluster}) and the area overlap measure (AOM{sub cluster}). The effect of the proposed segmentation method on MC cluster characterization accuracy was evaluated in a case sample of 162 pleomorphic MC clusters (72 malignant and 90 benign). Ten MC cluster features, targeted to capture morphologic properties of individual MCs in a cluster (area, major length, perimeter, compactness, and spread), were extracted and a correlation-based feature selection method yielded a feature subset to feed in a support vector machine classifier. Classification performance of the MC cluster features was estimated by means of the area under receiver operating characteristic curve (Az ± Standard Error) utilizing tenfold cross-validation methodology. A previously developed B-spline active rays segmentation method was also considered for comparison purposes. Results: Interobserver and intraobserver segmentation agreements (median and [25%, 75%] quartile range) were substantial with respect to the distance metrics HDIST{sub cluster} (2.3 [1.8, 2.9] and 2.5 [2.1, 3.2] pixels) and AMINDIST{sub cluster} (0.8 [0.6, 1.0] and 1.0 [0.8, 1.2] pixels), while moderate with respect to AOM{sub cluster} (0.64 [0.55, 0.71] and 0.59 [0.52, 0.66]). The proposed segmentation method outperformed (0.80 ± 0.04) statistically significantly (Mann-Whitney U-test, p < 0.05) the B-spline active rays segmentation method (0.69 ± 0.04), suggesting the significance of the proposed semiautomated method. Conclusions: Results indicate a reliable semiautomated segmentation method for MC clusters offered by deformable models, which could be utilized in MC cluster quantitative image analysis.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

A Model-Free Voltage Control Approach to Mitigate Motor Stalling and FIDVR for Smart Grids

Electric power networks are large and highly nonlinear dynamical systems that present unique challenges to control design. Though there is a large number of dynamic models for power system stability and control, many models are only useful with right assumptions and wrong for other tasks. Moreover, the dynamic behavior of the grid is increasingly complex under the banner of smart grids. These lead to the difficulty of developing appropriate dynamic modeling, and thus an efficient control strategy. To avoid such modeling challenges, here we present a novel dynamic voltage control strategy based on a model-free control (MFC) approach, requiring no modeling procedure. In particular, it focuses on fault-induced delayed voltage recovery (FIDVR) events, which require complex and accurate dynamic load models to replicate such events. This work utilizes MFC as an online controller to achieve the desired voltage stability under the FIDVR event. The proposed MFC strategy allows simple implementation and low computational cost for efficient mitigation of FIDVR. For benchmarking, a reasonably accurate dynamic performance model is explored. Simulation results with the IEEE 57 bus test network demonstrate the enhanced dynamic voltage profile for load buses having induction motors with the support of reactive power resources.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2018

CMS Analysis and Data Reduction with Apache Spark

Experimental Particle Physics has been at the forefront of analyzing the world's largest datasets for decades. The HEP community was among the first to develop suitable software and computing tools for this task. In recent times, new toolkits and systems for distributed data processing, collectively called "Big Data" technologies have emerged from industry and open source projects to support the analysis of Petabyte and Exabyte datasets in industry. While the principles of data analysis in HEP have not changed (filtering and transforming experiment-specific data formats), these new technologies use different approaches and tools, promising a fresh look at analysis of very large datasets that could potentially reduce the time-to-physics with increased interactivity. Moreover these new tools are typically actively developed by large communities, often profiting of industry resources, and under open source licensing. These factors result in a boost for adoption and maturity of the tools and for the communities supporting them, at the same time helping in reducing the cost of ownership for the end-users. In this talk, we are presenting studies of using Apache Spark for end user data analysis. We are studying the HEP analysis workflow separated into two thrusts: the reduction of centrally produced experiment datasets and the end-analysis up to the publication plot. Studying the first thrust, CMS is working together with CERN openlab and Intel on the CMS Big Data Reduction Facility. The goal is to reduce 1 PB of official CMS data to 1 TB of ntuple output for analysis. We are presenting the progress of this 2-year project with first results of scaling up Spark-based HEP analysis. Studying the second thrust, we are presenting studies on using Apache Spark for a CMS Dark Matter physics search, comparing Spark's feasibility, usability and performance to the ROOT-based analysis.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

Streamlining and Transparently Automating Complex Waste Determinations at Los Alamos National Laboratory - 17286

Environmental programs at Los Alamos National Laboratory (LANL) generate a large amount of sampling activities that can result in waste that needs to be characterized and properly disposed. Since 2011, sampling results are managed in the cloud-based Environmental Information Management (EIM) database, which contains over 16 million current and historical data records. In many cases, the database's analytical records are used to characterize and dispose waste from environmental operations. Three factors contribute to streamlining of the waste disposition operations: (1) if possible, use of the existing analytical data for waste characterization to avoid additional laboratory analysis; (2) reduction in time spent on data evaluation for various waste acceptance criteria; and (3) choice of the proper and least expensive disposal alternative. Use of the existing analytical data, when allowed by law, creates some paradoxical problems: when chemical analysis is requested with the purpose of characterizing waste, it creates only 100 to 400 analytical records. However, use of exiting analytical data at LANL may lead to evaluation of tens of thousands of analytical records, with many records for each single analyte. This occurs because data were collected for environmental characterization and not waste characterization. To streamline data analysis for waste disposition using existing data, LANL has created a Waste Data Summary (WDS) module in the site's EIM database. Recognizing that waste determination is performed by groups outside the environmental program at LANL, the WDS allows for logically guided data selection for a specific waste determination (solids, liquids, radiological, etc.) and reduces potentially thousands of rows of data into simple formatted data reports that are easy to comprehend and process. This allows the waste evaluators to review data using multiple approaches to make their own determination on the most appropriate disposal method. There are four basic principles of WDS operation: (1) The highest detected analytical result is evaluated for the selected samples (or the lowest undetected result if there are no detected results); (2) All approved disposal pathways are evaluated; (3) Any failures of the Waste Acceptance Criteria are visibly highlighted to focus the attention of the evaluator; and (4) The decision of the disposal path is left to the trained waste evaluator (WDS does not choose or suggest any disposal paths). The summary results are presented as the set of short data reports. These reports can be divided into two groups: general comparison reports and disposal pathway specific forms. The general comparison forms show all Resource Conservation and Recovery Act (RCRA) analytes with pass/fail evaluation and with preference for toxicity characteristic leaching procedure (TCLP) results (or 20x rule) for solid samples, the potential RCRA hazard codes assignment for detected analytes, and all rad results. The detected chemical and radioactivity results are compared to the background values and to Soil Screening and Soil Action limits (SSL/SAL limits). Disposal pathway specific forms follow Waste Acceptance Criteria requirements for all disposal pathways available at LANL. The programming of the WDS tries to maximize existing data by analyte substitutions (like using gross alpha for necessary alpha emitting isotopes) or by making calculations when analytical results do not agree with legal requirements (like total chlordane in the RCRA regulations, which is most often analyzed and reported as individual isomers). All forms may be annotated by the waste evaluator to provide additional information to support decision making. Upon final decision of a disposal path, the complete dataset used in the evaluation and the WDS forms with annotations is 'frozen' as an un-editable PDF export to document the data used in the waste disposal determination. The streamlined process results in less work for waste evaluators and reduces overall labor and analytical costs. By comparison, a full review of a 10,000 record parent dataset may take a waste evaluator over a week to review, whereas with the WDS module, the task can be accomplished in less than one hour with clear, reproducible results. These results can be reviewed and checked at any time by quality assurance personnel, thus ensuring transparency in the decision making process. LANL believes this approach has broad applicability to other sites where waste determination is based on review of existing data collected for more generalized environmental purposes. (authors)

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

Automating the Analysis of Large Language Models Responses through Zero-Shot Question Answering

Recent advancements in Large Language Models (LLMs) have shown significant potential in various applications, yet their evaluation, particularly in zero-shot question answering scenarios, remains a challenging task. In this study, our objective was to explore precision metrics for Large Language Models (LLM) and design and implement a software pipeline to automatically evaluate LLMs' outputs under zero-shot question answering. Zero-shot question answering involves a model providing answers to questions about topics it hasn't seen during training. It leverages the principles of zero-shot learning by relying on semantic understanding and generalization from related knowledge. The data used was metadata from medical databases on congenital heart disease. We explored eleven LLM metrics and selected three for our evaluation: BLEU, BERTScore, and MoverScore. BLEU calculates a score based on the overlap of n-grams (contiguous sequences of n items, typically words) between the machine-generated translation and the reference translations. Higher BLEU scores indicate better correspondence between the machine-generated and human-generated translations. BERTScore is a metric used to evaluate the quality of machine-generated text by measuring the similarity of token embeddings produced by BERT (Bidirectional Encoder Representations from Transformers) between the generated text and reference text. MoverScore is a metric that quantifies the dissimilarity between the distributions of word embeddings from machine-generated text and reference text, emphasizing semantic similarity over exact token overlap. We also introduced HBKI, a composite metric summarizing these approaches. We tested five models —GPT-3, Llama-2, Gemini 1.5 Pro, Solar 10.7B, and Mixtral-8x7b. Our software pipeline, designed and implemented using Object-Oriented Programming principles, allows users to customize the selection and extraction of features for topics of interest in their own research. Our results show that MoverScore delivered the most precise evaluation of the LLM's outputs, while Mixtral-8x7b achieved the best overall performance in extracting metadata from the databases.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

NRC Multiphysics Analysis Capability Deployment FY21: Part 3

This report details the progress and activities of Idaho National Laboratory (INL) on the Nuclear Regulatory Commission (NRC) project “Development and Modeling Support for Advanced Non-Light Water Reactors.” The deliverables completed for this report are: Deliverable 1c: the capability to model gas mixtures was added to Pronghorn. A test problem mimicking the conditions achieved in a depressurized loss of forced cooling (DLOFC) event was solved with both RELAP-5 and Pronghorn. Pronghorn employed a finite vol ume method with the Kurganov-Tadmor discretization. The comparison between the mass fraction spatial profiles computed with RELAP-5 and Pronghorn clearly shows the presence of numerical artifacts (i.e., overly diffusive behavior at low Mach numbers). We confirmed that the problem disappears at higher Mach numbers. We recommend future work on the implementation of a low Mach finite volume formulation to better treat low Mach number problems. Deliverable 2a: we demonstrated two approaches to model the radiation/conduction/natural convection heat transfer across a stagnant gas for the PBMR-400 design using Pronghorn. The first approach is based on the net radiation method, which relies on the computation of view factors with the Multiphysics Object-Oriented Simulation Environment (MOOSE) ray tracing capability. The second method is a traditional thermal resistance approach. The test problems include both 2D and 3D geometries. In all cases, the results show very good agreement during a DLOFC transient. This confirms that the faster thermal resistance method produces solutions that are equivalent to the net radiation method for this geometry. Deliverable 3d: we demonstrated the use of the advection kernel for the delayed neutron precursor equation in Griffin with a 2D MSFR model. The results appear physical but further verification is recommended. We also recommend the addition of conjugate heat transfer to compute the temperatures and model the thermomechanic behavior of the reflectors and other structures. Significant memory and performance issues were encountered in the 3D axisymmetric model. Future work is recommended in this area. Task 8g: this task allows multidimensional MOOSE applications to be coupled to system codes (RELAP-7 and SAM). We implemented a faster multiphysics iteration coupling algorithm, which provides an overall 6× acceleration of the 3D-1D coupling of the core multidi- mensional fluid flow solver and the 1D primary and secondary loop model.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Magnetic Gears: The Key to Robust, Cost-Effective Hydropower Drivetrains

Based on previous demonstrated success at fabricating 5 and 10 kW scale magnetic gearbox (MGB) prototypes, Emrgy and its partners (the project team) proposed to design and construct a 100 kW scale MGB with a 30:1 gear ratio for the low-head hydro applications. The Statement of Project Objectives included tasks covering: 1) Market Applicability; 2) Technical Metrics; 3) Design (initial); 4) Electromagnetic (EM) Load and Structural Analysis; 5) Modal Analysis; 6) Sealing Design and 7) Final Design during Budget Period 1. Budget Period 2 included tasks covering: 1) Materials Procurement and Test Plan Development; 2) Assembly; and 3) Testing. The Market Applicability study (Task 1) led to a clear conclusion and recommendation toward “Low Head” technologies for maximum market share of both New Stream Reach development as well as powering Non-Powered Dams. The findings of this study also identified the opportunity for a larger scale magnetic gearbox-based drive train as a function of increased torque, as opposed to increased speed. The Technical Metrics Study (Task 2) concluded a horizontal orientation was preferred, examined potential loss mechanisms, concluded that a Halbach Array magnetic design was preferred, established a 30:1 gear ratio as optimal, and established a power rating of 100 kW as optimal. The subsequent initial and final detailed design process included electro-magnetic (EM) load and structural analysis (Task 4), a Modal analysis (for vibration) (Task 5), and a sealing design (Task 6) to assure water impermeability. The final design package (Task 7) included 729 individual parts, 117 unique part numbers, and 15 assemblies. In order to facilitate procurement, the full bill of materials was broken down into several sub-components: 1) custom magnetic parts; 2) custom machined parts; 3) custom casted parts; and 4) commercial off the shelf (COTS) parts. The casted parts were fabricated by Oak Ridge National Laboratory (ORNL) via a Cooperative Research and Development Agreement (CRADA) with Emrgy and funded by the Advanced Manufacturing Office (AMO). The procurement effort (Task 8) ultimately covered three time periods based on challenges encountered in meeting the budgeted cost for the prototype. Following the first effort in the early stages of Budget Period 2 in 2017, a no-cost time extension was granted to seek alternative fabrication and procurement options. The project was re-booted in 2020 based on the new ORNL CRADA that would focus on five (5) of the more difficult and expensive parts using their advanced manufacturing expertise. Procurement efforts for the other custom machined parts resulted in quotations that still exceeded the budget by more than $\$$100k. This was, in part, also due to the concurrent COVID-19 pandemic that caused both supply chain disruptions and labor shortages. As the project continued, pricing and availability degraded further. In Q2 FY’22, it was decided to not proceed with the fabrication of the prototype (Task 9) based on budgetary limitations. Outcomes included a full and detailed design of a 100 kW magnetic gearbox and associated indented bill of materials (BOM) and CAD drawings, a full assembly instruction manual with an associated BOM for materials necessary to support assembly, the fabrication of the double Halbach magnetic array for the rotor/stator system, fabrication of five (5) sand-casted/machined parts (via CRADA with ORNL) and an initial draft of a comprehensive testing plan. The most significant non-outcome was the actual fabrication and testing of the prototype gearbox based on budget limitations. Lessons learned included the need for an Application / Design / Cost trade analysis to better elucidate the cost potential of the MGB in the projected volumes anticipated for future demand. This would better establish the efficacy of the original cost target ($\$$0.80/Watt) and/or the need for reconsideration of designs and applications. Likewise, additional consideration of the prototype nature of the gearbox – single use, short lifetime, etc. - either as a separate exercise or in place of the design process completed, to reduce the cost of the demonstration prototype device. Additionally, project continuity was cited as a significant risk based on the loss of the primary design engineering firm after Budget Period 1. A design analysis exercise was conducted at the conclusion of the project to identify potential areas for cost reduction. One concept considered was the removal of the inner ring of magnets (with associated changes in the outer ring magnets) to enable a horizontal collapse of the design. It was estimated this could reduce cost by 10-25% without impacting performance.

13 HYDRO ENERGY↗
DOE OSTI2024

DECOVALEX-2023: Task D Final Report

Task D of DECOVALEX-2023 is focused on the simulation of the coupled thermal hydraulic-mechanical (THM) behaviour in the full-scale engineered barrier system (EBS). The Horonobe EBS experiment is the demonstration of the full-scale EBS in the underground research laboratory (URL) (performed by JAEA in the Horonobe URL in Japan). Task D consisted of the three steps, a preliminary step (Step 0), simulation of the laboratory tests (Step 1) and simulation of the in-situ full-scale EBS experiment (Step 2). Since the Horonobe EBS experiment demonstrates the vertical emplacement option of the EBS, the experiment gallery is also backfilled with the backfill material. Therefore, interaction between the EBS and the backfill material can also be demonstrated, such as deformation (change of density) of the buffer material. The underground water in the Horonobe URL is saline. This fact adds chemical processes to THM behaviour. For example, mechanical properties (such as swelling pressure of the buffer material and backfill material) and hydraulic properties (such as permeability of the buffer material and backfill material) change depending on the water chemistry. Task D was therefore a challenging Task focused on not only the relatively simple THM behaviour but also complex THM behaviour including chemical processes. Six research teams (BGR, CAS, JAEA, KAERI, SNL and Taipower) participated the Task D. BGR, CAS, JAEA, KAERI and Taipower research teams selected a THM approach, while the SNL research team selected a TH approach. Step 1 involved the simulation of laboratory test results and was important to check the numerical codes developed by the research teams. Step 1 was divided into four sub steps. The simulation results through the Step 1 identified the parameters for simulation of the Step 2. Basic parameters of the materials (buffer material, backfill material, rock mass, concrete, sand) were provided by JAEA. Special parameters which research team needed were identified by back analysis of Step 1. Most notably the mechanical behaviour of swelling and displacement depended on the applied model (elastic model or elastoplastic model). Parameters such as Young’s modulus were found to need smaller values than characterised in the fundamental laboratory test results (Step 1-1, 1-2) for the elastic model. Although laboratory experiments are usually simple, test results contained some error. For example, if the saturation level is 100 % or higher, it should be considered an error. This situation was presented in the Step 1-3. A possible reason is that the buffer material is a mixture of bentonite and silica sand. When a specimen is cut to measure volume or weight, sand grains will affect the measurement data. In Step 2, boundary conditions such as temperature on the surface of the simulated overpack, heater power of the electrical heaters installed in the simulated overpack, injection pressure and inflow rate of the test water, were applied. The outer boundary conditions can be selected using measured data (injection pressure and inflow rate of the test water that is controlled by the injection systems installed in the sand layer around the buffer material and in the boundary between backfill material and concrete support). Since such measured data has some noise, research teams developed their own simplified boundary conditions. Inner boundary conditions can be selected using measured data as heater power and temperature on the surface of the simulated overpack. These data also contain some noise, so research teams developed their own simplified developed boundary conditions. Task D validated various approaches thorough the simulation of the in-situ full scale EBS system including backfill of the gallery: variations in the coupling processes (THM or THC), analysis codes, and boundary conditions. Temperature distribution in the buffer material was simulated well by all research teams. This means thermal behaviour is not sensitive to the simulation approaches. Although the water content distribution on the outside of the buffer material was well simulated by all research teams, the simulation results differ from the measured values inside the buffer material (at the centre and inside, near the simulated overpack). The buffer material is made from tap water, but in the in-situ experiment, saline groundwater infiltrates the buffer material. Therefore, the selection of the hydraulic parameters of the buffer material greatly affects the simulation results of the re saturation behaviour of the buffer material. In the Horonobe EBS experiment, measured values suitable for validating the simulation results were not obtained near the simulated overpack. When simulating the pressure and deformation of the buffer material, the measurement data is easily affected by the installation conditions of the measurement sensors, so verifying the measurement data itself remains an issue. Mechanical simulation results differ depending on whether they are considered as elastic or elastoplastic phenomena. The accuracy of measured in-situ data can be assessed by detailed analysis comparing sampling specimen analysis and measured data. The Horonobe EBS experiment is scheduled to be dismantled in the future (FY2026 and 2027). This detailed dismantling investigation will finally confirm the measured data.

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

Local curvature analysis for classifying breast tumors: Preliminary analysis in dedicated breast CT

Purpose: The purpose of this study is to measure the effectiveness of local curvature measures as novel image features for classifying breast tumors. Methods: A total of 119 breast lesions from 104 noncontrast dedicated breast computed tomography images of women were used in this study. Volumetric segmentation was done using a seed-based segmentation algorithm and then a triangulated surface was extracted from the resulting segmentation. Total, mean, and Gaussian curvatures were then computed. Normalized curvatures were used as classification features. In addition, traditional image features were also extracted and a forward feature selection scheme was used to select the optimal feature set. Logistic regression was used as a classifier and leave-one-out cross-validation was utilized to evaluate the classification performances of the features. The area under the receiver operating characteristic curve (AUC, area under curve) was used as a figure of merit. Results: Among curvature measures, the normalized total curvature (C{sub T}) showed the best classification performance (AUC of 0.74), while the others showed no classification power individually. Five traditional image features (two shape, two margin, and one texture descriptors) were selected via the feature selection scheme and its resulting classifier achieved an AUC of 0.83. Among those five features, the radial gradient index (RGI), which is a margin descriptor, showed the best classification performance (AUC of 0.73). A classifier combining RGI and C{sub T} yielded an AUC of 0.81, which showed similar performance (i.e., no statistically significant difference) to the classifier with the above five traditional image features. Additional comparisons in AUC values between classifiers using different combinations of traditional image features and C{sub T} were conducted. The results showed that C{sub T} was able to replace the other four image features for the classification task. Conclusions: The normalized curvature measure contains useful information in classifying breast tumors. Using this, one can reduce the number of features in a classifier, which may result in more robust classifiers for different datasets.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

The HTAP_v3.2 emission mosaic: merging regional and global monthly emissions (2000–2020) to support air quality modelling and policies

This study, performed under the umbrella of the Task Force on Hemispheric Transport of Air Pollution (TF-HTAP), responds to the need of the global and regional atmospheric modelling community of having a mosaic emission inventory of air pollutants that conforms to specific requirements: global coverage, long time series, spatially distributed emissions with high time resolution, and a high sectoral resolution. The mosaic approach of integrating official regional emission inventories based on locally reported data, with a global inventory based on a globally consistent methodology, allows modellers to perform simulations of a high scientific quality while also ensuring that the results remain relevant to policymakers. HTAP_v3.2, an ad-hoc global mosaic of anthropogenic inventories, is an update to the HTAP_v3 global mosaic inventory and has been developed by integrating official inventories over specific areas (North America, Europe, Asia including China, Japan and Korea) with the independent Emissions Database for Global Atmospheric Research (EDGAR) inventory for the remaining world regions. The results are spatially and temporally distributed emissions of SO 2 , NO x , CO, NMVOC, NH 3 , PM 10 , PM 2.5 , Black Carbon (BC), and Organic Carbon (OC), with a spatial resolution of 0.1 × 0.1° and time intervals of months and years covering the period 2000–2020 (https://doi.org/10.5281/zenodo.17086684, Crippa, 2025, https://edgar.jrc.ec.europa.eu/dataset_htap_v32, last access: 27 October 2025). The emissions are further disaggregated to 16 anthropogenic emitting sectors. This paper describes the methodology applied to develop such an emission mosaic, reports on source allocation, differences among existing inventories, and best practices for the mosaic compilation. One of the key strengths of the HTAP_v3.2 emission mosaic is its temporal coverage, enabling the analysis of emission trends over the past two decades. The development of a global emission mosaic over such long time series represents a unique product for global air quality modelling and for better-informed policy making, reflecting the community effort expended by the TF-HTAP to disentangle the complexity of transboundary transport of air pollution.

Guizzardi, Diego [European Commission, Ispra (Ital↗
DOE OSTI2024

Workflow for Developing and Operating Subsurface Hydrogen Storage Facilities in Porous Reservoirs

Long-duration (seasonal) storage of natural gas (NG), which primarily consists of methane (CH 4 ), has been practiced for more than a hundred years at underground gas storage (UGS) facilities that use depleted hydrocarbon reservoirs, saline aquifers, and salt caverns. To enable hydrogen (H 2 ) to be used as a long-duration, energy-storage medium, similar facilities are envisioned for underground H 2 storage (UHS) of either H 2 or H 2 /NG mixtures. Experience with UGS can be used to guide recommended practices for developing and operating UHS facilities in porous reservoirs. The most important factors (formation/fluid properties and engineering choices) that influence the performance of UHS reservoirs have been identified and quantified in previous studies. These factors and choices influence phenomena that determine the sweep efficiency of the stored working gas. These phenomena include viscous fingering, hysteretic capillary trapping, and gravity override of the working gas, as well as the upconing of nonproductive fluid that determine the sweep efficiency of the stored working gas. This report describes initial recommended-practices and a project-development workflow for UHS facilities that utilize porous reservoirs, based on the current state-of-knowledge about H 2 behavior in the subsurface. The workflow sequentially addresses all aspects of UHS project development, including the identification of H 2 sources and users, site ranking and down-selection, geologic and reservoir-engineering characterization, reservoir design, testing, risk management, commissioning, operations, and monitoring for a UHS facility. The goal is to enable UHS facilities to be developed in an efficient and timely manner, while carefully managing project risks. This workflow is similar to that which has been developed for UGS facilities (see Figure 1 of API, 2022), with the addition of tasks and subtasks specific to H 2 and UHS. The project-development workflow is broken down into three major stages: (1) define the H 2 use case; (2) rank, down-select, and characterize potential, candidate UHS sites; and (3) reservoir design, integrity testing, risk assessment, commissioning, operations, and monitoring for selected UHS sites. Each major stage is further broken down into tasks and subtasks, which are described at a high level. This report also provides more detailed descriptions of all tasks and subtasks that involve reservoir analysis and testing.

08 HYDROGEN↗