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DOE OSTI2022

Experimentally validated multiphysics modeling of fracture induced by thermal shocks in sintered UO 2 pellets

Uranium Dioxide (UO 2 ) fuel powers almost all commercial Nuclear Power Plants (NPPs) worldwide, generating carbon-free energy and contributing to the fight against climate change. UO 2 fuel incurs damage and fractures due to large thermal gradients that develop across the fuel pellet during normal and transient operating conditions. A comprehensive understanding of the underlying mechanisms by which these processes take place is still lacking. A combined experimental and computational approach is utilized here to quantify the behavior of UO 2 fuel fracture induced by thermal shock. Here, this work introduces both (1) an experimental study to understand the fuel fracturing behavior of sintered UO 2 pellets when exposed to thermal shock, and (2) a Multiphysics phase-field fracture model capable of simulating this process. Parametric studies were conducted to evaluate the effects of uncertainties in fracture properties on the fracture behavior of UO 2 due to thermal shocking. A set of energy release rate (or equivalently fracture toughness) and contract area (the part of the fuel pellet in direct contact with the cold bath) were able to capture the overall fracture trends of the corresponding experimental data. Our combined approach presents a new method for accounting for the effects of microstructure and sample size on the energy release rate/fracture toughness. The experimental data were collected from multiple experiments that exposed UO 2 pellets to high-temperature conditions (589–676 °C) followed by a quench in sub-zero water. This work demonstrates that joint experimental and computational efforts are able to advance the understanding of thermal fracture in the primary fuel source for existing and future NPPs.

36 MATERIALS SCIENCE↗

DOE OSTI1991

Nuclear Safety [Vol. 32, No. 4, October-December 1991]

Nuclear Safety is a review journal that covers significant developments in the field of nuclear safety. Its scope includes the analysis and control of hazards associated with nuclear energy, operations involving fissionable materials, and the products of nuclear fission and their effects on the environment. Primary emphasis is on safety in reactor design, construction, and operation; however, the safety aspects of the entire fuel cycle, including fuel fabrication, spent-fuel processing, nuclear waste disposal, handling of radioisotopes, and environmental effects of these operations, are also treated. Table of Contents for this issue follows. GENERAL SAFETY CONSIDERATIONS: 477 Report on the International Symposium on the Use of Probabilistic Safety Assessment for Operational Safety—PSA '91, S. Chakraborty and M. Khatib-Rahbar; 488 Good Relationships Are Pivotal in Nuclear Data Bases, A. S. Heger and B. V. Koen; 494 Technical Note: The Interagency Nuclear Safety Review Panel's Evaluation of the Ulysses Space Mission, J. A. Sholtis, Jr., D. A. Huff, L. B. Gray, N. P. Klug, and R. O. Winchester; ACCIDENT ANALYSIS: 502 The Severe Accident Analysis Program for the Savannah River Nuclear Production Reactors, M. L. Hyder; CONTROL AND INSTRUMENTATION: 511 A Framework for Selecting Suitable Control Technologies for Nuclear Power Plant Systems, R. A. Kisner; DESIGN FEATURES: 521 Containments for Gas-Cooled Power Reactors History and Status, P.W. Williams; ENVIRONMENTAL EFFECTS: 537 Indoor Radon: A Natural Risk, N. H. Harley and J.H. Harley; On the Importance of the Atmospheric Parameters in the Fission Products Distribution of a Severe Reactor Accident, M. C. Barla and A. R. Bayulken; Book Review: Health Effects of Exposure to Low Levels of Ionizing Radiation BEIR V, C. R. Richmond; WASTE AND SPENT FUEL MANAGEMENT: 555 Activities Related to Waste and Spent Fuel Management, M. D. Muhlheim and E. G. Silver OPERATING EXPERIENCES: 567 Effects of Component Aging on the Westhinghouse Control Rod Drive System, K. Sullivan and W. Gunther; 577 Reactor Shutdown Experience, Compiled by J. W. Cletcher, 580 Selected Safety-Related Events, Compiled by G. A. Murphy; 582 Operating U 8 Power Reactors, Compiled by M. D. Muhlheim and E. G. Silver, RECENT DEVELOPMENTS: 596 General Administrative Activities, Compiled by M. D. Muhlheim and E. G. Silver; 610 Reports, Standards, and Safety Guides, D. S. Queener; 614 Proposed Rule Changes as of June 30, 1991; ANNOUNCEMENTS: 520 Workshop on PC PRAISE: A Probabilistic Fracture Mechanics Personal Computer Code for Nuclear Power Plant Piping Reliability Assessment; 536 Fifth Workshop on Nuclear Power Plant Containment Integrity; 624 New OECD "International Information System on Occupational Exposure (ISOE)"; 625 Harvard School of Public Health Announces Short Courses; 625 Eighth Power Plant Dynamics, Control and Testing Symposium; 626 Second Training Course on Off-Site Emergency Planning and Response for Nuclear Accidents; 618 The Authors; 622 Reviewers of Nuclear Safety, Vol 32.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2023

Digital Twin Development of FASTR

This work package is focused on creating a digital twin (DT) of the Facility to Alleviate Salt Technology Risks (FASTR) experiment. FASTR is a high-profile facility tasked with maturing molten salt applications such as liquid salt energy storage, concentrated solar power facilities, and molten salt cooling systems supporting other advanced reactor technologies, all of which may be incorporated as components within the Integrated Energy Systems (IES) program. As part of creating a digital twin (DT), verification and validation (V&V) has been performed for the physics-based model, and gaps have been identified. Additionally, a preliminary integration of the FASTR model has been completed with the existing physics-based model of the Thermal Energy Distribution System (TEDS)/Microreactor AGile Non-nuclear Experimental Testbed (MAGNET) facility at Idaho National Laboratory (INL). A Functional Mock-up Unit (FMU) of the physics-based system model and a reduced-order model (ROM) were both used to test for a preliminary hardware in the loop operation when the physical loop was offline. Future tasks could include improving the physics-based model to better match the available experimental data, improving the hardware in the loop integration, and improving the integration with the TEDS model.

14 SOLAR ENERGY↗

DOE OSTI2024

Spin-Controllable Dynamics in Defect-Engineered Carbon Nanotubes as Single Photon Emitters: Data-Driven Modeling and Computations

Quantum technologies, such as quantum computing and sensing, require efficient single-photon emission (SPE) sources that operate at room temperature in telecom wavelengths. While several materials can serve as SPE sources, no single platform meets all the criteria for efficiency, ambient operation, and scalability. Single-walled carbon nanotubes (SWCNTs) with covalently attached molecules offer a promising solution. Their SPE can be easily tuned via modifications of the SWCNT's diameter, chirality, and bonded molecules, enabling emission across near-IR to telecom wavelengths at ambient conditions. However, to fully realize the potential of SWCNTs and unlock their quantum capabilities, a deeper understanding of how structural defects from molecular adducts affect their emission and competing photoexcited processes is essential. To address this gap in our knowledge, this project combined quantum chemistry calculations with data-driven methods of cheminformatics (QSAR) and machine learning (ML). The developed computational approaches have provided several design strategies for covalent functionalization of SWCNTs to improve their optical response. The collaboration with Los Alamos National Lab (LANL) enabled direct comparison of computational and experimental data, facilitating method validation. This partnership was enhanced through access to LANL's Center for Integrated Nanotechnologies (CINT) utilizing User Facility Program and summer internships, which provided three NDSU graduate students with hands-on experience at LANL. The outcomes of this project included (1) Advancing the current stage of computational methods in accurate modeling of non-adiabatic spin-dependent photoexcited dynamics and its applicability to nanosystems consisting of thousands of atoms, realized as open-access codes linked to existing DFT-based software; (2) Establishing the relationship between the structure of adducts and SWCNTs and intrinsic excitonic and spin properties of defect states for guiding novel synthetic strategies and experimental probes of chemically functionalized SWCNTs as near-IR emitting materials; (3) Generating virtual libraries of hypothetical functionalized SWCNTs for virtual screening of their chemical structures and optical properties, leveraging new functionalities of SWCNTs; (4) Offering a unique experience for NDSU graduate students that prepared them for future scientific careers related to materials modeling and big data processing. These results were summarized in 12 published journal papers and 3 recently submitted papers. One of a key finding is that the position of defect sites on the SWCNT surface primarily drives the emission redshift (up to 100 meV), while the polarity of the defect-inducing molecules has a much smaller effect (~10 meV). However, the electron-donating or withdrawing properties of a molecule influence selecting reactivity of defect sites. These insights important for optimizing synthetic protocols for desired emissions in SWCNTs. We also revealed that the interaction between two defects at various positions on the SWCNT enhances the redshift and optical activity of states, favoring strong near-IR emission. This suggests that manipulations in defect concentrations is a promising strategy for controlling efficient emission. Mostly important, the defect position was found controllable by the spin states of photoexcited intermediates: Excited aromatic molecules form ortho defects with SWCNTs at their singlet states in the presence of oxygen, while oxygen-free conditions favor para defects via the triplet-state mechanism. Additionally, a heat-activated [2+2] cycloaddition reaction facilitates divalent defect formation with fewer bonding positions that narrows emission bands. These groundbreaking findings have been experimentally validated and significantly advance our understanding of defect chemistry in SWCNTs. Using a novel encoding technique and 3D-MoRSE descriptors, we developed highly accurate ML/QSAR models to predict both the 3D structure and optical properties of SWCNTs with chemical defects. This model enabled the creation of a virtual library of 125,556 structures, providing new insights into the relationship between SWCNT-defect structure and emission.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2023

SATS Enhanced Capabilities and Demonstration of Improved Ramp Rates for In-Cell Testing

This report presents the development of the second-generation Severe Accident Test Station, referred to as SATS 2.0. SATS 2.0 represents a major advancement in addressing critical research needs for the United States nuclear industry, particularly in relation to fuel fragmentation, relocation, and dispersal (FFRD) concerns associated with the nuclear industry’s goal to extend fuel burnup beyond a peak rod average of 62 GWd/tU. The central objective of SATS 2.0 was the deployment a new furnace capable of achieving heating rates up to 100°C/s. This achievement addresses critical capability gaps, enabling assessment of prioritized research objectives established by the Electric Power Research Institute’s (EPRI) Collaborative Research on Advanced Fuel Technologies (CRAFT) working group. These research objectives are directly related to high-burnup loss-of-coolant accident (LOCA) conditions and the effects of prolonged exposure to elevated temperatures, both of which are crucial to enhancing nuclear safety and efficiency. The SATS 2.0 system builds upon prior experience with the original SATS system, which focused on evaluating accident-tolerant fuel (ATF) cladding concepts during accident conditions. However, the new system not only expands upon prior core capabilities by achieving higher heating rates with a better furnace but also plans to incorporate novel auxiliary systems to create a versatile platform for addressing current research needs. For example, a system was developed for the quantification and characterization of fission gas released during high-temperature transients. Additionally, in situ measurement capabilities were developed, such as digital image correlation which enabled the real-time capture of strain related to balloon and burst events and fiber-optic sensors that allowed for high-fidelity characterization of temperature gradients. Demonstration tests of the new 12-lamp furnace achieved heating rates up to 120°C/s. Notably, SATS 2.0 demonstrated its capacity to simulate LOCA burst tests at different pressures, yielding burst data that align with historical empirical models. Moreover, the system exhibited its capability to simulate complex conditions observed in anticipated operational occurrences, while effectively mitigating temperature overshoots. These accomplishments mark significant progress toward overcoming FFRD challenges and advancing the United States nuclear industry's safety basis and technical capabilities for extended burnup.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2022

Augmentation of WRF-Hydro to simulate overland-flow- and streamflow-generated debris flow susceptibility in burn scars

In steep wildfire-burned terrains, intense rainfall can produce large runoff that can trigger highly destructive debris flows. However, the ability to accurately characterize and forecast debris flow susceptibility in burned terrains using physics-based tools remains limited. Here, we augment the Weather Research and Forecasting Hydrological modeling system (WRF-Hydro) to simulate both overland and channelized flows and assess postfire debris flow susceptibility over a regional domain. We perform hindcast simulations using high-resolution weather-radar-derived precipitation and reanalysis data to drive non-burned baseline and burn scar sensitivity experiments. Our simulations focus on January 2021 when an atmospheric river triggered numerous debris flows within a wildfire burn scar in Big Sur – one of which destroyed California's famous Highway 1. Compared to the baseline, our burn scar simulation yields dramatic increases in total and peak discharge and shorter lags between rainfall onset and peak discharge, consistent with streamflow observations at nearby US Geological Survey (USGS) streamflow gage sites. For the 404 catchments located in the simulated burn scar area, median catchment-area-normalized peak discharge increases by ~ 450 % compared to the baseline. Catchments with anomalously high catchment-area-normalized peak discharge correspond well with post-event field-based and remotely sensed debris flow observations. We suggest that our regional postfire debris flow susceptibility analysis demonstrates WRF-Hydro as a compelling new physics-based tool whose utility could be further extended via coupling to sediment erosion and transport models and/or ensemble-based operational weather forecasts. Given the high-fidelity performance of our augmented version of WRF-Hydro, as well as its potential usage in probabilistic hazard forecasts, we argue for its continued development and application in postfire hydrologic and natural hazard assessments.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

UAS remote sensing (Osprey platform): Red-green-blue (RGB) imagery, thermal infrared (TIR) imagery, and canopy reflectance, Seward Peninsula, Alaska, 2018

Airborne remote sensing data collected using the Brookhaven National Laboratory's (BNL) heavy-lift unoccupied aerial system (UAS) octocopter platform - the Osprey - operated by the Terrestrial Ecosystem Science and Technology (TEST) group. This package includes data from 34 flights flown over the NGEE-Arctic Council Mile Maker 72 (MM72), Kougarok MM64, Kougarok MM80, and Teller MM27 sites in July, 2018. The Osprey is a multi-sensor UAS platform that simultaneously measures very high spatial resolution optical red/green/blue (RGB) and thermal infrared (TIR) surface "skin" temperature imagery, as well as surface reflectance at 1 nm intervals in the visible to near-infrared spectral range from ~350-1000 nm measured at regular intervals along each flight path. This package provide the Level 0 (raw, unprocessed) data collected by the Osprey platform. Ancillary aircraft data, flight mission parameters, and general flight conditions provided by the onboard flight and data collection computers are also included. Data and metadata are provided as text (*.txt, *.json), tabular (*.dat, *.csv, *.waypoint), and image (*.jpg) formats. This metadata document contains flight campaign, instrument and file metadata, along with a description of the L0 data, and file naming scheme. The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI1991

Nuclear Safety [Vol. 32, No. 4, October-December 1991]

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2024

Understanding the Phase of Responsivity and Noise Sources in Frequency-Domain Multiplexed Readout of Transition Edge Sensor Bolometers

Abstract Cosmic microwave background (CMB) experiments have deployed focal planes with $$\mathcal {O}(10^{4})$$ O ( 10 4 ) transition edge sensor (TES) bolometers cooled to sub-Kelvin temperatures by multiplexing the readout of many TES channels onto a single pair of wires. Digital Frequency-domain Multiplexing (DfMux) is a multiplexing technique used in many CMB polarization experiments, such as the Simons Array, SPT-3 G, and EBEX. The DfMux system studied here uses LC filters with resonant frequencies ranging from 1.5 to 4.5 MHz connected to an array of TESs. Each detector has an amplitude-modulated carrier tone at the resonant frequency of its accompanying LC resonator. The signal is recovered via quadrature demodulation where the in-phase (I) component of the demodulated current is in phase with the complex admittance of the circuit and the quadrature (Q) component is orthogonal to I. Observed excess current noise in the Q component is consistent with fluctuations in the resonant frequency. This noise has been shown to be non-orthogonal to the phase of the detector’s responsivity. We present a detailed analysis of the phase of responsivity of the TES and noise sources in our DfMux readout system. Further, we investigate how modifications to the TES operating resistance and bias frequency can affect the phase of noise relative to the phase of the detector responsivity, using data from Simons Array to evaluate our predictions. We find that both the phase of responsivity and phase of noise are functions of the two tuning parameters, which can be purposefully selected to maximize signal-to-noise (SNR) ratio.

47 OTHER INSTRUMENTATION↗

DOE OSTI2023

TRACER-Coastal Urban Boundary-Layer Interactions with Convection (TRACER-CUBIC) Field Campaign Report

To better understand the complicated web of processes governing convective cloud life cycle and aerosol-convection interactions, the U.S. Department of Energy (DOE)’s Atmospheric Radiation Measurement (ARM) user facility supported deployment of a variety of advanced atmospheric measurement systems to the greater Houston, Texas, area from 1 October 2021 to 30 September 2022 as part of the Tracking Aerosol Convection Interactions Experiment (TRACER). Houston was selected as a study area because isolated convection and a variety of aerosol conditions are common in this region. This one-year ARM Mobile Facility (AMF) deployment featured a four-month intensive operational period (IOP) during summer 2022 (1 June–30 September). The ARM instrumentation was deployed at three sites along an east-west transect from La Porte, Texas to an ancillary site in a less-polluted rural region southwest of downtown Houston (Figure 1). At the La Porte Site, which is located near the Houston ship channel in an area that experiences significant pollution, the first ARM Mobile Facility (AMF1) was deployed. During the IOP, the ARM tethered balloon system (TBS) operated at the ancillary site. The second-generation C-Band Scanning ARM Precipitation Radar (CSAPR) operated near Pearland, Texas, roughly halfway between the Laporte and ancillary sites. As part of the TRACER- Coastal Urban Boundary-Layer Interactions with Convection (CUBIC) project, three boundary-layer profiling systems) were deployed along a north-south transect spanning from the University of Houston Coastal Center to the Aldine site north of downtown Houston (also blue dot in Figure 1) during the TRACER IOP. These systems included the National Oceanic and Atmospheric Administration (NOAA) National Severe Storms Laboratory CLAMPS2 (C2), which was deployed at the UHCC, the University of Wisconsin SPARC, which was deployed at the ARM CSAPR site near Pearland (orange diamond in middle of map in Figure 1), and the University of Oklahoma CLAMPS1 (C1), which was deployed at Aldine. These three systems have been successfully operated in various field campaigns, providing data sets that collectively offer new insights into atmospheric-boundary-layer (ABL) processes, sea-breeze (SB) circulations, and convection initiation (CI). For the TRACER IOP window, these systems ran continuously between 1 June and 26 September, 2022. Due to commitments to NOAA projects, the Doppler lidar at the UHCC site was not available until 24 June 2022. The CLAMPS and SPARC profiling systems are self-contained platforms that have benefited from several years of development and deployment. Instruments and data processing were maintained remotely, which made the 4-month deployment for the TRACER-CUBIC IOP period possible. The same basic instrument configuration comprises each system: a scanning Doppler wind lidar for flow characterization and passive profiler(s) for characterizing planetary-boundary-layer (PBL) thermodynamic properties. Each platform includes a Halo Streamline Doppler wind lidar, an Atmospheric Emitted Radiance Interferometer (AERI), and a surface meteorology station. CLAMPS1 and CLAMPS2 each also include a microwave radiometer (MWR, Figure 1d). The TRACER-CUBIC hypotheses included (i) Interactions of SB and urban circulations and how they affect the PBL structure in the Houston environment, causing spatially (horizontally and vertically) and temporally highly variable flow patterns, (ii) heat, moisture, and aerosol transport and mixing depend on these flow dynamics, and (iii) an improved understanding of the flow patterns and PBL structure are critical for investigating the processes leading to CI. To test these hypotheses, the project aimed at (i) characterizing SB circulations and their impacts on the diurnal evolution of the structure of the ABL, (ii) studying the evolution of Houston’s complex urban boundary layer, and (iii) identifying effects of urban-induced circulations on pre-convective environments. TRACER-CUBIC observations generally provide good coverage during the summer IOP. Initial screening of the data indicates a good number of cases with bay-breeze (BB) and/or SB signatures, local CI, and interesting boundary-layer features such as strong nocturnal low-level jets (LLJs, Table 1). The numbers listed in rows 3-5 in this table will be further updated as part of ongoing in-depth analyses and systematic identification of local circulations and CI events. More detailed information about the data availability and quality for each instrument is provided in the “readme” files that were submitted to the ARM Data Center along with each archived data sets. These “readme” files also provide instrument descriptions, information about the data collection and processing procedures, data formats, and any additional information relevant for further data analysis.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2026

Machine Learning-Based Anomaly Detection for PMT Data Quality Monitoring in the SBN and DUNE

Maintaining high-quality detector data is essential for achieving the scientific objectives of the Short-Baseline Neutrino (SBN) Program at Fermilab. Current data quality monitoring (DQM) procedures rely primarily on threshold-based metrics and manual inspection of detector monitoring plots, making the detection of subtle or gradually developing anomalies both time-consuming and dependent on expert interpretation. This project developed and evaluated a machine-learning workflow for automatically identifying anomalous photomultiplier tube (PMT) channels in the Short-Baseline Near Detector (SBND) using optical-hit amplitude data. A Python-based analysis program was developed to process ROOT files, extract statistical features describing individual PMT amplitude distributions, and generate feature vectors for anomaly detection. These features were used to train an Isolation Forest model using data representing normal detector operation. The trained model was subsequently applied to independent detector runs to identify channels exhibiting statistically unusual behavior relative to the learned reference response. To support expert interpretation, the workflow generated complementary diagnostic products, including anomaly score distributions, normalized amplitude comparisons, decision-tree visualizations, and principal component analysis (PCA) projections. This project demonstrated the feasibility of integrating unsupervised machine learning into detector data-quality monitoring and developed a complete workflow for automated PMT performance assessment to aid expert-driven review. Beyond its technical contributions, the VFP appointment fostered a research collaboration between Aurora University and Fermilab and provided direct workforce development benefits by training the visiting faculty member in detector-scale machine-learning methods that are now being incorporated into undergraduate coursework and research. The methodology developed here provides a foundation for future applications to ProtoDUNE and other liquid argon time projection chamber (LArTPC) detectors, contributing to ongoing efforts to improve detector reliability, reduce manual monitoring requirements, and enable scalable data quality monitoring for future large-scale neutrino experiments, including the Deep Underground Neutrino Experiment (DUNE).

Colón Santana, Juan A. [Unlisted, US, IL]↗

DOE OSTI2023

A review of artificial intelligence applications in manufacturing operations

Abstract Artificial intelligence (AI) and machine learning (ML) can improve manufacturing efficiency, productivity, and sustainability. However, using AI in manufacturing also presents several challenges, including issues with data acquisition and management, human resources, infrastructure, as well as security risks, trust, and implementation challenges. For example, getting the data needed to train AI models can be difficult for rare events or costly for large datasets that need labeling. AI models can also pose security risks when integrated into industrial control systems. In addition, some industry players may be hesitant to use AI due to a lack of trust or understanding of how it works. Despite these challenges, AI has the potential to be extremely helpful in manufacturing, particularly in applications such as predictive maintenance, quality assurance, and process optimization. It is important to consider the specific needs and capabilities of each manufacturing scenario when deciding whether and how to use AI in manufacturing. This review identifies current developments, challenges, and future directions in AI/ML relevant to manufacturing, with the goal of improving understanding of AI/ML technologies available for solving manufacturing problems, providing decision‐support for prioritizing and selecting appropriate AI/ML technologies, and identifying areas where further research can yield transformational returns for the industry. Early experience suggests that AI/ML can have significant cost and efficiency benefits in manufacturing, especially when combined with the ability to capture enormous amounts of data from manufacturing systems.

Plathottam, Siby Jose↗

DOE OSTI2025

Machine learning modeling and model predictive control of a closed-circuit reverse osmosis system

Closed-circuit reverse osmosis (CCRO) offers a flexible and energy-efficient alternative to conventional reverse osmosis by operating in a semi-batch mode that recycles brine, enabling higher recovery rates and reduced specific energy consumption (SEC). However, developing accurate, system-level dynamic models for CCRO remains challenging due to its nonlinear, multi-phase operation and sensitivity to variable feed water conditions. Traditional modeling approaches, such as NARMAX (nonlinear autoregressive moving average with exogenous inputs), often struggle to generalize across varying inlet feed concentrations, necessitating frequent parameter re-estimation and limiting their utility for real-time control applications. To address these limitations, we developed a long short-term memory (LSTM) neural network model trained on an extensive experimental data set from a CCRO pilot plant. The model accepts three inputs, feed flow rate, recirculation flow rate, and initial feed conductivity, and predicts three key outputs: reject conductivity, feed pump power draw, and recirculation pump power draw. We validated the LSTM model against experimental data, demonstrating its ability to distinguish between different feed conductivities and adapt to variable flow rates. Subsequently, we incorporated the LSTM model within a nonlinear model predictive control (MPC) scheme and conducted closed-loop simulations to optimize the integrated SEC (iSEC). In conclusion, the results project up to a 6% reduction in iSEC by using MPC to optimize performance over the entire experiment duration, without requiring any random excitation for data collection or parameter re-estimation.

Desalination↗

DOE OSTI2025

Design, Build, and Initial Testing of a Portable Methane Measurement Platform

The quantification of methane concentrations in air is essential for the quantification of methane emissions, which in turn is necessary to determine absolute emissions and the efficacy of emission mitigation strategies. These are essential if countries are to meet climate goals. Large-scale deployment of methane analyzers across millions of emission sites is prohibitively expensive, and lower-cost instrumentation has been recently developed as an alternative. Currently, it is unclear how cheaper instrumentation will affect measurement resolution or accuracy. To test this, the Wireless Autonomous Transportable Methane Emission Reporting System (WATCH 4 ERS) has been developed, comprising four commercially available sensing technologies: metal oxide (MOx,), Non-dispersion Infrared (NDIR), integrated infrared (INIR), and tunable diode laser absorption spectrometer (TDLAS). WATCHERS is the accumulated knowledge of several long-term methane measurement projects at Colorado State University’s Methane Emission Technology Evaluation Center (METEC), and this study describes the integration of these sensors into a single unit and reports initial instrument response to calibration procedures and controlled release experiments. Specifically, this paper aims to describe the development of the WATCH 4 ERS unit, report initial sensor responses, and describe future research goals. Meanwhile, future work will use data gathered by multiple WATCH 4 ERS units to 1. better understand the cost–benefit balance of methane sensors, and 2. identify how decreasing instrumentation costs could increase deployment coverage and therefore inform large-scale methane monitoring strategies. Both calibration and response experiments indicate the INIR has little practical use for measuring methane concentrations less than 500 ppm. The MOx sensor is shown to have a logarithmic response to methane concentration change between background and 600 ppm but it is strongly suggested that passively sampling MOx sensors cannot respond fast enough to report concentrations that change in a sub-minute time frame. The NDIR sensor reported a linear change to methane concentration between background and 600 ppm, although there was a noticeable lag in reporting changing concentration, especially at higher values, and individual peaks could be observed throughout the experiment even when the plumes were released 5 s apart. The TDLAS sensor reported all changes in concentration but remains prohibitively expensive. Our findings suggest that each sensor technology could be optimized by either operational design or deployment location to quantify methane emissions. The WATCH4ERS units will be deployed in real-world environments to investigate the utility of each in the future.

47 OTHER INSTRUMENTATION↗

DOE OSTI2026

Flaw Tolerance Assessment for DOE Standard SNF Dry Storage Canisters - 26550

The U.S. DOE has designed four spent nuclear fuel (SNF) dry storage canisters for storing DOE standardized SNFs. The DOE standard canisters are cylindrical shells with a diameter of 24 inches (610 m) or 18 inches (457 m), a wall thickness of 0.5 inches (12.7 m) or 0.375 inches (9.53 m), and a length of 15 feet (4.57 m) or 10 feet (3.05 m). These DOE canister geometries are completely different from commercial canisters. The latter may experience chloride-induced stress cracking corrosion (CI-SCC) because they are stored near coastal regions. The former may not experience CI-SCC but face different challenges because they are stored in the SNF storage facilities. Because of large residual stresses, mechanical flaws may occur in the DOE canisters during long-distance transportation or lifting handling. To date, only limited structural integrity analyses were carried out through drop tests on the DOE canisters, but a more general flaw tolerance assessment has not been performed. Therefore, the failure assessment diagram (FAD)-based fracture mechanics method, as codified by the latest API 579-1/ASME FFS-1-2021 Edition, is adopted in this work to assess surface flaw tolerance for DOE canisters under operation loading and welding residual stresses (WRS), where the new code-recommended WRS distributions are used. To more adequately consider the transverse distribution of WRS, an equivalent WRS distribution is proposed to account for the WRS reduction with distance from the weld centerline. Moreover, the closed-form solutions of stress intensity factor K, which serves as the crack driving force during subcritical crack growth, are developed from the tabular data of the K factors provided in API 579-1/ASME FFS-1 and used to determine more accurate flaw sizes at flaw instability. Subsequently, the Level 2 assessment procedures with 12 assessment steps, as codified and detailed in API 579-1 and ASME FFS-1, are followed to assess the flaw tolerance for the surface flaws in the DOE standard canisters with consideration of normal or accident operation loads combined with WRS. The assessment results show that the four designs of DOE standard canisters can tolerate all surface flaws that meet the code permitted maximum sizes of a flaw length of 8 inches (i.e., 200 mm) and a flaw depth of 80% wall thickness. This demonstrates that all designs of DOE standard canisters are robust and reliable.

DOE standard canister↗

DOE OSTI2025

Search for charged-lepton flavour violation in top quark interactions with an up-type quark, a muon, and a $τ$ lepton in proton-proton collisions at $\sqrt{s}$ = 13 TeV

A search for charged-lepton flavour violation (CLFV) in top quark (t) production and decay is presented. The search uses proton-proton collision data corresponding to 138 fb$^{-1}$ collected with the CMS experiment at $\sqrt{s}$ = 13 TeV. The signal consists of the production of a single top quark via a CLFV interaction or top quark pair production followed by a CLFV decay. The analysis selects events containing a hadronically decaying $τ$ lepton and a muon of opposite electric charge, as well as at least three jets, one of which is identified as originating from the fragmentation of a bottom quark. Machine learning classification techniques are used to distinguish signal from standard model background events. The results of this search are consistent with the standard model expectations. The upper limits at 95% confidence level on the branching fraction $\mathcal{B}$ for CLFV top quark decays to a muon, a $τ$ lepton, and an up or a charm quark are set at $\mathcal{B}$(t $\to$ $μτ$u) $\lt$ (0.04, 0.08, and 0.12) $\times$ 10$^{-6}$, and $\mathcal{B}$(t $\to$ $μτ$c) $\lt$ (0.81, 1.71, and 2.05) $\times$ 10$^{-6}$ for scalar, vector, and tensor-like operators, respectively.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

Description of FY25 Theory and Simulation Performance Target: Development of an integrated modeling framework for fusion reactor design and assessment

The urgency to deliver fusion power is growing now more than ever, with increasing pressure for both public programs and private companies to meet milestones timelines and overcome significant remaining technical challenges to ensure growth of a nascent fusion industry in time to meet rapidly growing clean energy demands. With incredible advancements in computation and years of investment in fusion model development and validation, integrated modeling is poised to fill a key role in accelerating the timeline to a fusion pilot plant (FPP). Future fusion pilot plants will operate in regimes far beyond current experience, and device design will rely on physics-based prediction and extrapolation. Many concepts will also rely on simulation to assess safety (shielding, tritium management, materials activation and lifetimes), economics and scalability before the decision to build. Importantly, integrated simulation can be used to reveal and solve the complexities of system integration that may otherwise not be apparent in physical components or models developed in isolation. New experimental test facilities that produce relevant conditions to validate and resolve key technical challenges for various subsystems (materials, blankets, fuel cycle, etc.) have been repeatedly called for by the fusion community but are not yet realized. Integrated modeling has an important role in identifying realistic load conditions (thermal, electromagnetic, plasma, neutron and photon loads, etc.) and defining the components and experiments for these test facilities in order to ensure meaningful validation that sufficiently reduces modeling uncertainties and technical risk for the full integrated reactor. The Fusion REactor Design and Assessment (FREDA) SciDAC project is building a component-based integrated modeling framework & data structure to enable self-consistent, multi-fidelity, iterative optimization workflows for the fusion reactor design process. FREDA aims to shorten the time to viable designs by providing a set of flexible workflows to support the various stages of the design process using an integrated model hierarchy, ranging from the simple analytic descriptions to the highest fidelity, theory-based plasma and engineering modeling developed by the fusion and fission communities. These tools are expected to be needed for timely support of FPP design in the milestone program and in the FIRE collaboratives. The plasma simulation backbone of FREDA is IPS-FASTRAN with newly developed coupled Core-Edge Pedestal-SOL (CESOL) workflows, which is being extended to the far-SOL region up to the plasma facing components. FREDA incorporates the FERMI engineering modeling suite and will enable self-consistent evaluation of the thermal shields, limiters, blanket, magnets, and other surrounding structures with predictions of temperatures, erosion, dpa, activation, tritium generation and transport, creep, corrosion, material degradation, etc. Parametric generation of 3D CAD enables rapid iteration of component geometry in response to plasma and loading specifications.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2022

GEN3D Experimental and Numerical Development of GEN3 Durability Models

Understanding of the high temperature durability of particles and the materials that contain them is critical to next generation of concentrating solar power (CSP) technology. Here we studied the durability of particles and their containment materials under extreme UV cycling, thermal cycling, and in low-speed high temperature mechanical wear situations. The optical stability of seven candidate particles has been determined following exposure to the high temperature conditions present in a generation 3 particle-based CSP technology. Particle solar weighted absorptance and emittance measured periodically during 10,000 high solar irradiance exposure cycles and up to 400 hours of isothermal aging has been documented. The particle aging due to repeated exposure to concentrated solar flux represented the 30-year lifetime of a power plant. Models were fit to the absorptivity and emissivity data following the isothermal aging provides the projected optical degradation of the particles as a function of temperature. Mechanical wear was studied through the use of custom developed wear testing facilities for measuring high temperature impact wear, abrasion wear, and particle attrition. Additionally, a novel technique for measuring the high temperature mechanical properties of single particles was developed. Through these tests it was observed that high nickel alloys generally showed lower wear than comparable iron based steels, particularly at elevated temperatures of 800°C. Mechanical wear at these temperatures is a highly complex phenomenon combining both mechanical wear and oxidation. Additionally, the containment materials wear rates are influenced by the particles (both hardness and roundness), making the wear mechanisms complex. The initial wear test conducted in the abrasion test rig revealed a substantial amount of oxide materials in the particle bed after testing (in relative to later tests), and substantially more wear, likely indicating a need for concern in startup operation of particle facilities to not incur high wear from the presence of oxides. Particle attrition experiments have only been conducted for a single material but increase size distribution, reduction in circularity, and particle diameter is observed. Efforts to develop predictive models was limited due to a testing campaign that prioritized testing materials for particle pathway developers over building a comprehensive design of experiments. The results discussed in this report inform future CSP developers and researchers further de risking the technology and assisting in its future development. ParticleBased CSP development provides a path to dispatchable solar power generation with storage at a price competitive in the current energy market. Lowering the cost of CSP technology provides a carbon free power generation solution that can assist in the transition from fossil fuels to renewable sources of electricity.

14 SOLAR ENERGY↗