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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 505 records · Page 28

Unified differentiable digital twin for the IOTA/FAST facility

As the design complexity of modern accelerators grows, there is more interest in using advanced simulations that have fast execution time or produce insights about accelerator state. One notable example of additional information are gradients of physical observables with respect to design parameters produced by differentiable simulations. The IOTA/FAST facility has recently begun a program to implement and experimentally validate a unified start-to-end differentiable digital twin to serve as a virtual accelerator test stand, allowing for rapid prototyping of new software and experiments with minimal beam time costs. In this contribution we will discuss our plans and progress. Specifically, we will cover the selection and benchmarking of both physics and ML codes, the development of generic interfaces between device models and surrogate or physics-based sections, and the export of the parameters through either a deterministic event loop or a fully asynchronous EPICS soft input/output controller. We will also discuss challenges in model calibration and uncertainty quantification, as well as future plans to support larger proton accelerators like PIPII and Booster.

Kuklev, Nikita [Fermilab]↗

Evaluation of In-Situ AM Process Monitoring Techniques and Potential for Detecting Process Anomalies and Undesirable Microstructures

The US Department of Energy’s Advanced Materials and Manufacturing Technologies (AMMT) program is pursuing rapid qualification of new materials for fabrication of nuclear relevant components using advanced manufacturing techniques. Particular interest is placed on code-qualifying stainless steel (SS) 316H processed by laser powder bed fusion (LPBF) additive manufacturing. A paradigm that incorporates data from in-situ sensing during the printing, ex-situ characterization, and advanced artificial intelligence–based models was established under the Transformation Challenge Reactor (TCR) program to develop a pedigree for each fabricated component that could be tracked from the feedstock to the component’s release for application. Under the TCR program, the Peregrine software was developed as a tool for incorporating the vast amounts of in-situ and ex-situ characterization data collected; all data stored on a rapidly growing digital platform. The digital platform allows for users to link site-specific process anomalies to the macro- and microstructure. The platform will eventually be able to predict component performance, which will be crucial to qualifying materials and components in risk-averse industries such as those supporting and building nuclear reactors. Current in-situ process monitoring techniques that are already integrated with software like Peregrine are advantageous for identifying process anomalies including powder spatter, component edge swelling, recoating-build interactions, and so on. However, additional data are required to fully predict the resulting microstructures needed for identifying relationships to component performance. The rapid cooling rates observed in LPBF are some of the highest of any bulk manufacturing process, resulting in heterogenous microstructures and typically causing anisotropy in mechanical properties. Moreover, evolved residual thermal stresses are high, which can cause severe defects such as delamination or cracking. Therefore, other in-situ monitoring methods are warranted for exploration to measure and map the thermal history, and potentially the stress state, of each build. This report summarizes different in-situ monitoring strategies proposed for LPBF with a focus on the more developed sensor systems. Novel capabilities for measuring melt pool temperatures are also addressed to better inform modeling efforts.

36 MATERIALS SCIENCE↗

Modeling Approach for the Aluminum-clad Dry Storage Pilot using HFIR Fuel

To confirm that the dry storage of aluminum-clad research reactor spent nuclear fuel (ASNF) will remain within the safety envelope after applied drying schemes and that the resulting evolution of the gas space composition, temperature, and pressure conditions are understood, a dry storage pilot project is being established. The pilot will incorporate an instrumented lid for discrete interval or for on-demand gas composition and temperature monitoring of two DOE Standard Canisters (DSCs) loaded with three High Flux Isotope Reactor (HFIR) inner cores per DSC. Each DSC would be subjected to a separate alternative candidate drying scheme. Canisters will undergo 1 to 5 years of monitoring, including internal temperature and gas sampling to track pressure and composition changes. This report outlines the approach for modeling the ASNF-in-canister behavior in terms of evolving gas space conditions for the ASNF dry storage pilot using HFIR fuel. The ASNF has an adherent surface oxyhydroxide layer comprised of boehmite/bayerite that generates hydrogen when subjected to irradiation. Three-dimensional multi-physics computational fluid dynamics simulations will be executed to compute the thermal field within the DSC and provide inputs to a chemical model employed to compute pressure buildup as hydrogen is generated in the system. Implemented in Cantera, the chemical model solves gas phase and aluminum oxyhydroxide surface-mediated radiolysis reactions. Gas phase reactions are sourced from Wittman and Hanson (2015), whereas surface-mediated reactions are incorporated by fitting experimental data using an optimization algorithm (Abboud, 2023). Water radiolysis reactions from Wren and Ball (2001) are adopted with modifications as described in Abboud (2023c). Understanding the effect of the hydrogen buildup over time is important for long-term storage safety considerations. Modeling results will include the canister pressure, temperature, and composition evolution from the initial helium backfill with the addition of radiolytically-evolved chemical species (e.g., hydrogen and oxygen). The specific HFIR cores for the pilot program have not yet been selected, and the overall design is still in development. The CFD-chemical model used for this work will be based on prior models with necessary updates to allow for improved accuracy and efficiency. The experimental data obtained from the HFIR demonstration will be used to improve and validate the computational models to predict the ASNF-in-canister behavior.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

User Manual - HydraGNN v5.0: Distributed Implementation of Multi-Tasking Graph Neural Networks

This document serves as the user manual for HydraGNN v5.0, a scalable graph neural network (GNN) architecture for simultaneous prediction of multiple target properties using multi-task learning (MTL). This version of HydraGNN has been developed primarily to support the development, training, and deployment of predictive graph-based deep learning (DL) models for atomistic materials modeling. HydraGNN is templated over 13 message-passing policies, including invariant models (GIN, PNA, PNAPlus, GAT, MFC, CGCNN, SAGE, SchNet, DimeNet) and equivariant models (EGNN, PNAEq, PAINN, MACE), and supports distributed training via distributed data parallelism (DDP), DeepSpeed, and Fully Sharded Data Parallelism (FSDP) on leadership-class supercomputers. Although HydraGNN can be applied to problems beyond atomistic materials modeling, its current use is confined to homogeneous graphs. Additional capabilities include machine-learned interatomic potentials with energy-conserving forces, General, Powerful, and Scalable Graph Transformer (GraphGPS) global attention, periodic boundary conditions, hyperparameter optimization, mixed-precision training, and uncertainty quantification.

97 MATHEMATICS AND COMPUTING↗

Geothermal well testing pressure prediction by using a hybrid transformer model system: FORGE well use case

Geothermal has huge potential to become an indispensable component in achieving the goal of sustainable energy economy, given its capability to provide consistent baseload power to the electric grid. Injection tests are crucial in geothermal energy system as they naturally help to evaluate reservoir properties, understand fluid flow and even enhance reservoir performance. In this research, we developed a hybrid model system that integrates machine learning (ML) regression, a physics-based mathematical model, and transformer deep learning. Trained and validated using FORGE injection test dataset, this system can forecast the pressure variations both upward and downward over time. The pressure prediction achieved prediction accuracy within 3-6% variance of true pressure values. The system can significantly save time and reduce costs by testing only a few cycles and then using model predictions for further analysis, instead of conducting additional real injection cycle tests. The developed model system also holds promise for designing injection test processes and maintaining well production in geothermal energy. Presented at the IMAGE ‘25 Conference led by Shell.

FORGE↗

CMIP6-based Multi-model Streamflow Projections over the Conterminous US, Version 1.1

This dataset presents an ensemble of streamflow projections covering the conterminous United States (CONUS), developed to support the SECURE Water Act Section 9505 Assessment for the US Department of Energy (DOE) Water Power Technologies Office (WPTO). Multiple Coupled Models Intercomparison Project phase 6 (CMIP6) Global Climate Models (GCMs) were downscaled using either statistical (DBCCA) or dynamical (RegCM) downscaling methods, based on two meteorological reference datasets (Daymet and Livneh). Subsequently, the downscaled precipitation, temperature, and wind speed data were used to drive two calibrated hydrologic models (VIC and PRMS), with total runoff routed through the Routing Application for Parallel computatIon of Discharge (RAPID) routing model, producing an ensemble of streamflow projections across 2.7 million NHDPlusV2 stream reaches across the CONUS. Each ensemble member covers the 1980-2019 baseline and 2020-2059 near-future periods under the high-end (SSP585) emission scenario. Additionally, using only DBCCA and Daymet, the projections extend to the 2060-2099 far-future period and encompass three additional emission scenarios (SSP370, SSP245, and SSP126). This dataset is designed to support the SECURE Water Act Section 9505 Assessment for the US Department of Energy (DOE) Water Power Technologies Office (WPTO). For further details, refer to Kao et al. (2022), Rastogi et al. (2022), and Ghimire et al. (2023).

13 HYDRO ENERGY↗

Discrete global grid system-based flow routing datasets in the Amazon and Yukon basins

Abstract. Discrete global grid systems (DGGS) are emerging spatial data structures widely used to organize geospatial datasets across scales. While DGGS have found applications in various scientific disciplines, including atmospheric science and ecology, their integration into physically based hydrological models and Earth system models (ESMs) has been hindered by the lack of flow routing datasets based on DGGS. In response to this gap, this study pioneers the development of new flow routing datasets using icosahedral Snyder equal-area (ISEA) DGGS and a novel mesh-independent flow direction model. We present flow routing datasets for two large basins, the tropical Amazon River basin and the Arctic Yukon River basin. These datasets (1) facilitate the adoption of DGGS for hydrological models and (2) provide flow routing inputs for evaluation of DGGS-based flow routing in the Amazon and Yukon river basins. The data are available at https://doi.org/10.5281/zenodo.8377765 (Liao, 2023).

54 ENVIRONMENTAL SCIENCES↗

TorbeamNN: machine learning-based steering of ECH mirrors on KSTAR

We have developed TorbeamNN: a machine learning surrogate model for the TORBEAM ray tracing code to predict electron cyclotron heating (ECH) and current drive locations in tokamak plasmas. TorbeamNN provides more than a 100 times speed-up compared to the highly optimized and simplified real-time implementation of TORBEAM without any reduction in accuracy compared to the offline, full fidelity TORBEAM code. The model was trained using KSTAR ECH mirror geometries and works for both O-mode and X-mode absorption. The TorbeamNN predictions have been validated both offline and real-time in experiment. TorbeamNN has been utilized to track an ECH absorption vertical position target in dynamic KSTAR plasmas as well as under varying toroidal mirror angles and with a minimal average tracking error of 0.5 cm.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Iterative Reconstruction for Multimodal Neutron Tomography

Here, we describe a unified framework for model-based iterative 3-D reconstruction of multimodal neutron transmission, hydrogen-scatter, and induced-fission images from low resolution data recorded using 14.1-MeV neutrons and the associated-particle imaging (API) technique. The framework, which was developed to facilitate use in challenging field-deployment scenarios, is centered around physics-based system models and a total variation (TV) constrained implementation of the simultaneous iterative reconstruction technique (SIRT). Modified to solve a statistically weighted least squares (WLS) problem, the SIRT algorithm is accelerated using ordered subsets and Nesterov’s momentum for which we derive a near-optimal value of the governing Lipschitz constant. The approach enables the reconstruction of images that are high resolution compared to the acquired data and is robust to both limited statistics and a limited number of projection angles. Moreover, the framework is fast enough to be practical. Example images are provided that demonstrate both the ability to perform fast-neutron imaging of high-atomic-number materials with low radiation dose and the benefit of multimodal neutron imaging to identify key materials.

Hydrogen scatter↗

An Approach to Dynamic Human Reliability Analysis and Its Data Collection Framework

Human reliability analysis (HRA) is a method for evaluating human errors in a variety of complex systems such as nuclear power plants, military systems, aircraft, and chemical plants. Most HRA methods currently used by regulatory institutes or utilities are called static HRA and are carried out by simple worksheets or simple calculators. To date, there are many unsolved or intrinsic challenges in static HRA. For example, existing static HRA does not realistically model and evaluate human actions as they would be performed at actual systems. There is no method with HRA to objectively estimate the time required for human actions despite being essential to HRA processes. In addition, many HRA methods still rely on a dataset generated prior to the 1980s, from unrelated industry experience or simply from expert judgment. Accordingly, this study attempted to research how to overcome the challenges of existing HRA via dynamic risk assessment (a.k.a., simulation-based or computation-based risk assessment) techniques. First, this study developed a dynamic HRA method, named as PRocedure-based Investigation Method of EMRALD Risk Assessment – HRA (PRIMERA-HRA). The PRIMERA-HRA mainly concentrates on providing HRA analysts with specific guidelines on how to reasonably model human actions, assign human reliability data and evaluate output of simulation within a dynamic probabilistic risk assessment tool, called as Event Modeling Risk Assessment using Linked Diagrams (EMRALD). Second, this study also developed a module for performance shaping factors (i.e., the key concept in HRA quantification) applicable to dynamic HRA, then implemented it based on PRIMERA-HRA within the EMRALD tool. Third, this study developed an HRA data collection framework to support dynamic HRA, called as Simplified Human Error Experimental Program (SHEEP). Originally, the SHEEP study aimed to support static HRA and its data collection, but recently extended the scope to the new technologies such as dynamic HRA or HRA for advanced reactors. SHEEP focuses on the use of data collected from simplified simulators to complement—but not replace—data collection studies using full-scope simulators and actual operators. To date, many experiments were conducted under the SHEEP framework. Multiple analyses, such as human performance analysis, human error analysis, task complexity analysis, learning effect analysis and time distribution analysis, were also carried out using the collected data. Then, based on the major insights, an approach to inferring full-scope data based on simplified simulator data was proposed. The PRIMERA-HRA and SHEEP research are expected to evaluate human actions more realistically than existing static HRA, provide an opportunity to collect more HRA data with reasonable cost and labor, then contribute to enhance the quality of HRA.

99 - GENERAL AND MISCELLANEOUS↗

Low Activity Waste Glass Optimization with Property Models from Machine Learning, Part 2: Experimental Validation and Active Learning

The United States Department of Energy is responsible for managing legacy nuclear waste stored in underground tanks at the Hanford Site. To treat the waste, it is planned as the current baseline to separately vitrify low-activity waste (LAW) and high-level waste fractions. Previously, machine learning (ML) based glass property models (e.g., chemical durability, viscosity, electrical conductivity and SO3 solubility) were developed with prediction uncertainties. A waste glass optimization approach was then established to enable the capability of using these ML models in LAW glass formulation. In this study, the previous ML models were first experimentally validated, and the results were incorporated back into the database to update the ML models. The updated models and formulations showed increased waste loading while reducing the failure rate, demonstrating improved predictive accuracy, reduced uncertainties, and the effectiveness of active learning in guiding high-dimensional, nonlinear LAW glass design. This represents the first experimental validation of ML based LAW glass formulation, with practical benefits such as higher waste loading, shorter mission duration, and lower operational risk.

Lu, Xiaonan (ORCID:0000000179708148)↗

Modeling and Characterizing the electron backscatter in a cylindrical anode-based distributed X-ray source

Upcoming advancements in computed tomography architectures warrants the investigation of new X-ray source designs and the impacts that electron backscatter can have on these designs. One such design being investigated is a distributed, cylindrical anode-based X-ray source. For such a distributed X-ray source, we developed a modeling pipeline for simulating electron optics and transport to characterize the quality of the primary X-ray beam and the electron backscatter behavior. We report our results on the energy distributions of the bremsstrahlung spectra; electron backscatter ratio; and spatial, temporal, and energy distributions of backscattered electrons that return to the anode.

46 - INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AN↗

Techno-Economic Analysis and Life Cycle Assessment of the Production of Biodegradable Polyaliphatic–Polyaromatic Polyesters

Poly(butylene-adipate terephthalate) (PBAT) is a polyaliphatic–polyaromatic polyester that is biodegradable and has found application in several markets, making it a widely produced biodegradable polymer worldwide. However, the production of PBAT is carbon-intensive, as it relies on the use of petroleum-based monomers. There is, thus, significant interest in identifying polyesters that are biodegradable and less carbon-intensive (e.g., use of biomass- derived monomers). In this work, we develop a detailed process model (and an associated database) for the production of polyaliphatic–polyaromatic polyesters including petroleum-based PBAT and biomass-derived alternatives including poly(pentylene- adipate terephthalate) and poly(pentylene-adipate furandicarboxy- late). Techno-economic analysis (TEA) reveals that the production costs of these polyesters strongly depend on monomer costs (accounting for over 90% of the total production cost) and identifies market conditions under which biomass-based polyesters can be cost-competitive to petroleum-based PBAT. Life cycle assessment (LCA) shows that biomass-derived polyesters can reduce the global warming impact of PBAT by half. Altogether, the proposed TEA/LCA model aims to provide guidance into polyesters that are most promising and help assess their overall economic and environmental performance.

42 ENGINEERING↗

A Novel Secondary Frequency Regulation with Optimal Priority Selection of AGC Contributions

Automatic generation control (AGC) is used to maintain acceptable frequencies during operation owing to fluctuations in load and variable resources. In conventional industry applications, the AGC signal is allocated to each generator according to the predispatched frequency regulation capacity or the order of economic efficiency. However, with the increasing integration of inverter-based resources (IBRs), the retirement of conventional synchronous generators (SGs) has posed new challenges to frequency control schemes because fewer of them are optional for AGC regulation. In this paper, we propose a novel model predictive control (MPC)-based frequency regulation model to reduce control cost and ensure stability, by considering different critical dynamic factors when optimally selecting the AGC units. The proposed control model – developed in a general form – comprehensively embeds characteristics such as generator ramping rates, reserve capacity, and operation cost. The model predictive control–based two-timescale AGC scheme enhances the capability of immunizing the power disturbance from types of resources by coordinating the control signals between faster IBRs and slower SGs. The case study’s proposed model is verified to be effective in synergistically enforcing different dynamic properties of AGC units into the frequency regulation scheme.

Jiang, Sufan [The University of North Carolina at ↗

Acoustic-based monitoring and machine learning of component status for microreactor applications

This report provides a description and assessment of recent efforts to couple acoustic-based experimental measurements and characterization with machine learning models in order to enhance structural health monitoring capabilities for nuclear microreactors. With resilient embedded sensors in development by others supported by programs funded by the US Department of Energy’s Office of Nuclear Energy, the work described herein builds upon ongoing efforts to improve non-destructive testing technology that relates measured acoustic signatures to component stresses and/or structural defects, using a combination of new experimental measurements and machine learning architectures. The experimental procedure remained similar to that developed for the previous year’s demonstration of damage detection by the authors, with the same damaged sample tested under similar applied stress conditions. Notably, a new mounting fixture was designed and implemented to improve measurement consistency and a more sophisticated laser Doppler vibrometer was employed to make high-fidelity vibration measurements. Two nominally identical sets of training data were collected for each experimental setup to better understand the repeatability of the experiment and to better test the generality of trained neural network models. Additionally, we obtained new high-quality 3D mode shapes of the damaged test article at various stress and excitation levels, providing greater insights into the physical response of the sample during testing. Previously, we demonstrated that a machine learning model based on a convolutional neural network can predict structural details of an artificially introduced interface (intact, rough cut, smooth cut), and the applied torque level. In this study, we have transitioned to graph-based neural network architectures to better develop and test a flexible framework that is more suitable to being transferred away from controlled benchtop experiments and into more applied settings where less-structured data inputs may be expected. In general, performance testing of a graph neural network on frequency-domain representations of the data indicates strong and consistent identification of test conditions for datasets recorded on damaged components. With goals of predicting damage location and other changing experimental conditions using limited datasets, predictive models using a graph neural network architecture correctly predicted the applied torque level with an accuracy of 85% using only a single measurement point and predicted within one torque level in 95% of test windows. Predictions of damage location had limited success due to the symmetry and minimal number of the damage scenarios presented during model training. Results were ambiguous as to whether the model could detect the location of the artificial damage, or if it was instead learning the location of a given measurement point on the part and subsequently detecting which points were closest to the location of the damage. This finding will be factored into upcoming planned work on damaged graphite components, where new experimental tests with a larger number and variety of damage scenarios are expected to provide improved validation of recent developments in monitoring methodology.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

AUTOMATIC GENERATION OF EVENT TREES AND FAULT TREES: A MODEL-BASED APPROACH

In the past few decades, increasing complexity in modern engineering systems has been driven by the integration of a large number of components and by the fact that the system operations involve many disciplines (e.g., thermal-hydraulics, plant operations, cyber-security). Current safety/reliability modeling approaches to such systems are labor intensive, difficult to learn, and rely heavily on simplistic Boolean logic to depict failure propagation and accident progression. While these methods serve well for simple systems (i.e., linear causal systems with limited small inter- and intra-system interactions), their results are difficult to verify when modeling complex systems (typically performed through the extensive use of modeling assumptions). The development of new methods is addressed to meet these challenges through a model-based system engineering (MBSE) lens. Under MBSE philosophy, every aspect of the system (form or function) is represented by a model that completely characterizes its architecture or behavior. MBSE approach greatly improves the management of design, analysis and verification of complex systems. An integration of Dynamic Probabilistic Risk Assessment (DPRA) methods with MBSE models is proposed to perform safety/reliability analyses of engineering systems. In particular, MBSE representation of the system (performed using Systems Modeling Language [SysML]) is coupled with DPRA methods to automatically generate event trees and fault trees.

97 - MATHEMATICS AND COMPUTING↗

Yes, No, Maybe So: Human Factors Considerations for Fostering Calibrated Trust in Foundation Models Under Uncertainty

High-stakes analytical environments require analysts to evaluate evidence and generate conclusions to inform critical decisions often under conditions of uncertainty. Probabilistic decision-making based on incomplete or inaccurate information can reduce productivity, compromise national interests, and endanger public safety. Researchers are developing expert systems built on foundation models (FMs) to support analysts’ decision-making processes by enabling human-artificial intelligence (AI) teaming, in part through the quantification and expression of uncertainty information. As FMs continue to mature, it is imperative to correspondingly consider analysts’ needs for appropriately interpreting and using uncertainty information. However, prior research indicates that it remains unclear how analysts engage with FM-generated uncertainty information and the extent to which these interactions influence trust in, and reliance on, expert systems. We plan to review the state of the science and conduct an exploratory, qualitative study to (a) understand how properly communicated uncertainty can foster calibrated trust and appropriate reliance and (b) identify approaches for effectively conveying FM-generated uncertainty information during analytical workflows. We will administer semi-structured interviews with analysts from a specific high-stakes analytical environment to collect their current experiences with job-related uncertainty and their impressions when viewing FM-generated uncertainty information. During the interview protocol, participants will be presented with several different FM outputs and invited to discuss their thoughts and beliefs about the uncertainty information displayed. Participants may provide insights into how trust and reliance may be influenced by uncertainty. The results of this study will help us to better understand how analysts currently interpret and use uncertainty information. Our findings may inform human factors recommendations for effectively conveying uncertainty information to foster calibrated trust in, and appropriate reliance on, expert systems. Interaction designers and FM developers can use this knowledge to enhance human-AI teaming and ensure the responsible deployment of FM-based expert systems in analytical workflows.

97 MATHEMATICS AND COMPUTING↗

Development of a neural network model for peeling–ballooning stability analysis in the KSTAR tokamak pedestals

The neural network model, MISHKA-NN is developed to mitigate the computational burden associated with the linear ideal magnetohydrodynamic (MHD) stability analysis of the pedestal based on the peeling–ballooning (P–B) model. By utilizing both 1D plasma profiles (current density, pressure gradient, and safety factor) and 0D parameters (plasma geometry, total current, and toroidal mode number), the model predicts linear growth rate of edge-localized ideal MHD instability in a given equilibrium state. By enabling the prediction of each instability within a second, the model reduces the time required for plotting a pedestal P–B stability diagram (j - α diagram) from approximately 100 CPU hours to a few CPU minutes. Notably, even with the utilization of parametric pressure and current profiles and plasma boundary shapes for the training dataset, the model shows a satisfactory level of performance in benchmarking the j - α diagram for the reconstructed equilibrium from a KSTAR tokamak experiment. We anticipate the model to serve as a versatile alternative to 2D linear MHD stability codes, alleviating numerical costs.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗