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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 289 records · Page 16

Intelligent Experiments through Real-Time AI: Fast Data Processing and Autonomous Detector Control for High-Energy Nuclear Experiments

The aim of this project is to develop software and hardware for fast real-time data processing and autonomous detector control and calibration for the sPHENIX and the future EIC experiments. Below summarizes Georgia Tech team efforts in the past year: 1. We developed a real-time clustering algorithm and FPGA-based pipeline architecture for processing fired pixel data from ALPIDE sensors in sPHENIX experiments. Our Columnar Clustering Co-Design introduces a hardware-aware, stream-friendly approach that segments pixel data by column pairs using a Column Pair Clustering (CPC) strategy, followed by Cluster Stitching to merge adjacent subclusters. Implemented in Vitis HLS, the pipeline comprises five stages—read-in, subclustering, stitching, analysis, and write-out—connected by tagged HLS streams with custom end-of-event signaling for robust synchronization. We designed a pipelined dataflow model optimized for throughput, low latency, and minimal buffering, enabling scalable clustering across events of arbitrary size. Our system maintains spatial precision via center-of-mass and shape key extraction and efficiently handles edge cases such as fragmented or nested clusters. Compared against DBSCAN in both software and hardware, our approach demonstrates competitive performance under FPGA constraints. 2. We also conducted a comprehensive algorithm-to-hardware co-design of connected component analysis tailored for sPHENIX experiments, focusing on real-time, low-latency processing using FPGAs and High-Level Synthesis (HLS). Starting from a Python-based particle tracking pipeline, the team translated the core logic—graph traversal via DFS and Union-Find—into an HLS-compatible C++ model, replacing dynamic memory and recursion with static arrays and pipelined control flow. The final design includes a fully streamed and dataflow-compatible Union-Find kernel optimized across five iterations, incorporating loop pipelining, array partitioning, AXI/FIFO interface tuning, and function flattening. Experimental results show up to 14.8× speedup over the CPU baseline, reducing per-graph latency to 1.58 μs and demonstrating strong resource efficiency with only ~7k LUTs and zero BRAM usage. The design maintains functional correctness against the Python reference using a Python-based C-simulation framework and Mean Squared Error metrics. This work validates the potential of HLS-driven FPGA designs for edge-level HEP data acquisition, laying a scalable foundation for future integration with real-time detector pipelines and multi-graph processing systems.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Experimental study on kinetic oxidation of graphite IG-110 by steam

Graphite is proposed for use in High-temperature Gas-cooled Reactors (HTGRs) as the fuel matrix, neutron moderator/reflector, and core structural material. One important property of nuclear grade graphite is their resistance to oxidation in high-temperature environment. Extensive investigation has been performed in the literature for graphite oxidation by air. However, available experimental data are still limited for graphite oxidation by steam under conditions comparable to a postulated steam ingress accident in HTGRs. In this study, the oxidation rate of graphite IG-110 by steam was measured at temperatures from 850 to 1100 °C with the steam partial pressure varying from 0.5 to 20.0 kPa and the hydrogen partial pressure varying from 0 to 2.0 kPa. Further analysis confirms the oxidation process in this present study is dominated by the chemical kinetics, which lends credit to the data for being used to develop numerical models. It was observed that the increase of the kinetic oxidation rate with the steam partial pressure tends to become less apparent if the steam partial pressure keeps increasing. In addition, it was found that the partitioning of hydrogen inhibits the graphite-steam reaction process even with the steam partial pressure up to 20.0 kPa. However, this inhibiting effect starts to become saturated when the hydrogen partial pressure exceeds 1.0 kPa. The oxidation rates were fitted to the conventional Langmuir-Hinshelwood (LH) and Boltzmann-enhanced Langmuir-Hinshelwood (BLH) models by a multivariable optimization algorithm. The BLH model exhibits a better accuracy than the LH model within the specified experimental conditions. The predicted oxidation rate using the BLH model shows a mean relative difference of about 24% with the maximum difference of about 55% when compared with our experimental data.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Autonomous Molecular Structure Imaging with High-Resolution Atomic Force Microscopy for Molecular Mixture Discovery

Due to its single-molecule sensitivity, high-resolution atomic force microscopy (HR-AFM) has proved to be a valuable and uniquely advantageous tool to study complex molecular mixtures, which hold promise for developing clean energy and achieving environmental sustainability. However, significant challenges remain to achieve the full potential of the sophisticated and time-consuming experiments. Automation combined with machine learning (ML) and artificial intelligence (AI) is key to overcoming these challenges. Here we present Auto-HR-AFM, an AI tool to automatically collect HR-AFM images of petroleum-based mixtures. In this study, we trained an instance segmentation model to teach Auto-HR-AFM how to recognize features in HR-AFM images. Auto-HR-AFM then uses that information to optimize the imaging by adjusting the probe-molecule distance for each molecule in the run. Auto-HR-AFM is the initial tool that will lead to fully automated scanning probe microscopy (SPM) experiments, from start to finish. This automation will allow SPM to become a mainstream characterization technique for complex mixtures, an otherwise unattainable target.

36 MATERIALS SCIENCE↗

Towards Generalizable and Efficient Circuit Topology Design: A Graph-Transformer-based Surrogate Model with Curriculum Learning

Unlike circuit parameter and sizing optimizations, the automated design of analog circuit topologies poses significant challenges for learning-based approaches. One challenge arises from the combinatorial growth of the topology space with circuit size, which limits the topology optimization efficiency. Moreover, traditional circuit evaluation methods are time-consuming, while the presence of data discontinuity in the topology space makes the accurate prediction of circuit performance exceptionally difficult for unseen topologies. To tackle these challenges, we design a novel Graph-Transformer-based Network (GTN) as the surrogate model for circuit evaluation, offering a substantial acceleration in the speed of circuit topology optimization without sacrificing performance. Our GTN model architecture is designed to embed voltage changes in circuit loops and current flows in connected devices, enabling accurate performance predictions for circuits with unseen topologies. To address the cold start problem when scaling GTN to large-scale circuits, we further introduce a curriculum learning strategy that progressively trains GTN from small-scale to large-scale circuits. This approach enables the model to first learn fundamental physical principles from simpler topologies and gradually adapt to complex configurations, effectively bridging the circuit complexity gap and improving prediction accuracy. Taking the power converter circuit design as an experimental task, our GTN model significantly outperforms an analytical approach and baseline methods directly utilizing graph neural networks. Furthermore, GTN achieves less than 5% relative error and 196× speed-up compared with high-fidelity simulation. Notably, our GTN surrogate model empowers an automatic circuit design framework to discover circuits of comparable quality to those identified through high-fidelity simulation while reducing the time required by up to 98.2%. With curriculum learning, the enhanced GTN achieves a 51% improvement for performance prediction of large-scale circuits compared to the GTN model without this strategy. These advancements establish GTN as a scalable framework for automated analog circuit design across varying circuit complexity levels.

Lu, Haoshu [New Jersey Institute of Technology (NJ↗

IDAES-PSE 2.1.0 Release

The Institute for the Design of Advanced Energy Systems (IDAES) Integrated Platform is a versatile computational environment offering extensive process systems engineering (PSE) capabilities for optimizing the design and operation of complex, interacting technologies and systems. IDAES enables users to efficiently search vast, complex design spaces to discover the lowest cost, most environmentally sustainable solutions while supporting the full process modeling lifecycle, from conceptual design to dynamic optimization and control. The extensible, open platform empowers users to create models of novel processes and rapidly develop custom analyses, workflows, and end-user applications. IDAES-PSE 2.1.0 Release Highlights New IDAES Examples Repository Starting with this release, the IDAES examples are developed in the new IDAES/examples repository. Along with many content and usability improvements, the most significant changes are: To install the examples, after installing IDAES, run pip install idaes-examples The idaes get-examples command, previously used for this, has been removed The HTML version is now available at https://idaes-examples.readthedocs.io The previous URL, https://idaes.github.io/examples-pse, will not be updated and may be removed at some point in the future For more details, refer to the resources available at IDAES/examples. Removal of Non-Functional Apps A review of the code in the idaes/apps and idaes/models_extra folders was undertaken, and a number of tools were identified as being outdated or non-functional and no longer supported by their development teams. Due to this, the following tools have been removed: idaes/apps/alamopy_depr (note that the new ALAMOpy interface remains avaialble in idaes/core/surrogates) idaes/apps/helmet idaes/apps/ripe idaes/apps/roundingRegression idaes/models_extra/carbon_capture Pyomo 6.6 This version of IDAES is the first requiring Pyomo 6.6. This version of Pyomo contains multiple internal improvements and refactorings. While for the majority of cases this should have positive or no impact on solvability of IDAES models, we are aware of a small number of models that have been affected as a result of these changes. For more information, refer to the Pyomo 6.6.1 release notes. Other highlights Model Initialization A prototype API for a new approach to initializing IDAES models is now available which makes available some new techniques for initializing models. This is documented in the Initializing Models Reference Guide Modular Properties Framework Support for some transport properties Helmholtz Equation of State properties Better error checking for case where unit models are set to include phase equilibrium but the property package is set to support only a single phase Multi-Stream Contactor model: a new base model for systems involving contacting of two or more streams with mass transfer. This model is intended to be used as the foundation for models such as membrane separators, solvent extraction and other similar processes. This is documented in the Multi-Stream Contactor Reference Guide idaes/models_extra/power_generation report() methods for unit models using Helmholtz equation of state General Code Maintenance Streamlining of dependencies and creation of new optional dependency groupings to support non-core tools General linting of codebase to ensure compliance with most pylint checks Spell checking of all code and doc strings Removal of backward compatibility code for Python 2

IDAES↗

Stochastic Approximation for Multi-period Simulation Optimization with Streaming Input Data

We consider a continuous-valued simulation optimization (SO) problem, where a simulator is built to optimize an expected performance measure of a real-world system while parameters of the simulator are estimated from streaming data collected periodically from the system. At each period, a new batch of data is combined with the cumulative data and the parameters are re-estimated with higher precision. The system requires the decision variable to be selected in all periods. Therefore, it is sensible for the decision-maker to update the decision variable at each period by solving a more precise SO problem with the updated parameter estimate to reduce the performance loss with respect to the target system. We define this decision-making process as the multi-period SO problem and introduce a multi-period stochastic approximation (SA) framework that generates a sequence of solutions. Two algorithms are proposed: Re-start SA (ReSA) reinitializes the stepsize sequence in each period, whereas Warm-start SA (WaSA) carefully tunes the stepsizes, taking both fewer and shorter gradient-descent steps in later periods as parameter estimates become increasingly more precise. We show that under suitable strong convexity and regularity conditions, ReSA and WaSA achieve the best possible convergence rate in expected sub-optimality either when an unbiased or a simultaneous perturbation gradient estimator is employed, while WaSA accrues significantly lower computational cost as the number of periods increases. In addition, we present the regularized ReSA, which obviates the need to know the strong convexity constant and achieves the same convergence rate at the expense of additional computation.

Computer Science↗

Design and optimization of supersonic turbines for detonation combustors

Detonation-based engines offer a potential surge in efficiency for compact thermal power systems. However, these cycles require ad-hoc components adapted to the high outlet velocity from the detonation combustors. This paper presents the design methodology of turbine stages suitable for supersonic inlet conditions and provides a detailed analysis of optimized turbine geometries. A reduced-order solver examines the supersonic blade rows’ functional design space, quantifies the turbine’s non-isentropic performance, and budgets the turbine loss for different optimized leading-edge designs and chord to pitch ratios. The shock-wave interactions were identified as the predominant contributor to turbine losses, and optimal pitch-chord ratios were determined for various inlet Mach numbers. Finally, with this tool, the specific-power output for a wide range of design configurations was computed; and the metal angle that ensures flow starting and maximizes power extraction was calculated. The detailed numerical study describes the flow interactions in a supersonic turbine and offers new correlations to guide the design of future supersonic turbines.

42 ENGINEERING↗

HB650 Cryomodule Design: From Prototype to Production

In early 2023 the assembly of the prototype HB650 cryomodule (pHB650 CM) was completed and cold tests started to evaluate its performance. The lessons learned from the design, assembly and preliminary cold tests of this cryomodule, and from the design of the SSR2 pre-production cryomodule played a fundamental role during the design optimization process of the production HB650 cryomodule (HB650 CM). Several workshops have been organized to share experiences and solve problems. This paper presents the main design changes from pHB650 to the HB650 production cryomodules and their impact on the heat loads.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Distributed Wind Controls: A Research Roadmap for Microgrids, Infrastructure Resilience, and Controls Launchpad (MIRACL)

The Microgrids, Infrastructure Resilience, and Advanced Controls Launchpad (MIRACL) project’s controls research area aims to expand the benefits from distributed wind (DW) generation assets beyond solely providing low cost power directly to consumers. To make distributed wind turbines operate more effectively there is a need for more advanced ways to control them, allowing power companies, businesses, and energy consumers to take advantage of the unique characteristics of wind energy. DW can contribute to the safe and secure operation of grid by providing services such as voltage regulation, frequency regulation, spinning reserves, and even black start capabilities. In the larger DER context where much of the research has focused around solar technologies, the inertia available in wind technologies has generally not been considered. For wind turbines to provide these services in an optimal and expanded way, development and demonstration of control methods and communication interfaces within a grid and microgrid framework are required. In this document, NREL led the literature review in collaboration with SNL, of DER controls-focused integration research to establish a baseline for the controls research under the MIRACL project to identify specific control functions to be focused on throughout this project. This literature review focused primarily on the control functions of variable distributed generation, largely pulling from past solar PV and battery controls works, with a specific focus on applicability for distributed wind energy systems. The goal of this document is to identify a research roadmap based on the open literature and past national laboratory works to inform advanced wind turbine and power electronics control functions for four use cases: 1) distributed wind in isolated systems, 2) grid-connected microgrids (wind-hybrid systems and islanded operation), 3) behind-the-meter distributed wind applications in the power distribution systems, and 4) front-of-the-meter distributed wind applications in the power distribution systems.

17 WIND ENERGY↗

Solid oxide metal-air redox batteries (SOMARB)

The solid oxide metal-air redox batteries (SOMARB), composed of reversible solid oxide fuel cell (RSOFC) and energy storage unit (ESU), is an emerging technology for large-scale energy storage owing to its advantages in high energy density, high rate capability, decoupled energy and power components, all solid state structure, high safety and scalability. Starting with introducing the working principle of this battery, thermodynamics and kinetics, and battery chemistries based on Fe, Mo, and Wo of SOMARB are illustrated. The strategies to improve the performance of Fe-based SOMARB via optimizing RSOFC and ESU are discussed in detail. Finally, several high temperature metal-air batteries derived from SOMARB are introduced. The comparison with other batteries shows that SOMARB is expected to play an important role in future grid and renewable energy storage with concurrent advances in SOFC stack and system design.

Zhang, Cuijuan↗

A Route to Design Novel Functional Peptides by Applying a Denoising Diffusional Model to mRNA Display Libraries

In vitro directed evolution techniques, such as mRNA display, enable peptide ligand discovery and optimization. However, physical libraries that rely on a genetic code can only search a small fraction of sequence space due to inherent biases in the genetic code and experimental limitations. To address this challenge, denoising diffusion implicit models (DDIMs) are applied to generate novel peptide ligands against B‐cell lymphoma extra‐large (Bcl‐x L ), a key cancer target. Starting with high‐throughput sequencing data from previous selections, a DDIM is trained to produce novel sequences with high affinity binding. Experimental validation confirms that most generated sequences are functionally equivalent to the original library members for Bcl‐x L binding and demonstrated comparable binding kinetics and affinity relative to the wildtype and nearest original neighbors. Importantly, this approach generated rare sequences not easily accessible via mutation and directed evolution. These results indicate that DDIMs can complement and expand directed evolution data, efficiently exploring underrepresented regions of sequence space. This approach provides a broadly applicable framework for accelerating ligand discovery and optimizing molecular properties across diverse targets.

Qi, Pearl [Mork Family Department of Chemical Engi↗

Tools and Methods for Optimization of Nuclear Plant Outages

Refueling outages are one of the most challenging phases in a nuclear power plants (NPP) operating cycle. Refueling outages are extremely costly for a NPP due to the large amount of required resources and because of lost revenue due to plant being off the grid. Outage durations have steadily decreased across the industry over that last few decades primarily due to improved planning and coordination, but there are still many plants that struggle to meet the performance metrics accomplished by other utilities. Schedule resilience is one of the issues. NPP outages require scheduling thousands of activities in a duration of around 30 days on average. Outage staff begin working on the schedule more than a year ahead of the outage start and make every effort to build a robust schedule. Despite the robust and detailed planning, once the outage starts, numerous emergent issues typically appear along with schedule delays requiring continuous replanning and adjusting. When schedule disruption occurs during an outage, plant staff make urgent efforts to recover but often not able to maintain the planned outage duration. These outage delays can cost a utility several million dollars per day. Tools that could help outage schedulers create a more resilient schedule and allow them to optimally reschedule emergent work could significantly reduce outage delays. One key aspect of creating a resilient schedule is to have accurate estimates for activity duration. Another important outage scheduling capability is the ability to schedule emergent work with minimal disruption. The Optimization of Outage Activities project under the Risk-Informed Systems Analysis Pathway (RISA) sponsored by Department of Energy (DOE) Light Water Reactor Sustainability (LWRS) program focuses on developing tools and methods to support nuclear power plants with optimization of outage schedules. The goal of the outage optimization is the completion of all planned and emergent outage activities as fast as possible while maintaining highest level of safety. This report describes the initial development of tools to support outage management that leverage computational and machine learning methods developed in other RISA and LWRS projects.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Building and Executing Aggressive Research Plans in a Large National Laboratory Consortium: Insights from the Co-Optimization of Fuels and Engines Initiative

This report describes lessons learned in the establishment, execution and termination of a large, multi-institutional consortium, derived from the Co-Optimization of Fuels and Engines experience. The decision to form a consortium comes with benefits (in advancing challenging multidisciplinary research) and costs (in time and additional management funds). Once the decision is made, key elements to a strong start include establishing a shared vision and goals; engaging an experienced project manager early; instituting feedback and oversight mechanisms to ensure relevance, strong performance, and situational awareness. Once a consortium is up and running, DOE and leadership should strike the right balance between competition and collaboration; foster an environment that builds trust; and adjust the organizational structure as needed to maintain collaboration. Finally, DOE and the labs can plan effectively for a smooth transition as a consortium winds down. This report provides some additional lessons and details on these lessons that we hope future DOE and lab leaders will find useful as they contemplate standing up new consortia.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Hydrated Metal and Metal-Nitrate Complexes in Water: Full Lanthanide(III) Series plus Miscellaneous Metal Ions

This is a dataset of hydrated metal complexes and metal–nitrate hydrated complexes intended for public use, reproducibility, and downstream structural analysis. A key feature is coverage across the full lanthanide(III) series (La–Lu), enabling systematic comparisons of coordination motifs and bonding trends across the entire lanthanide sequence. In addition to the lanthanides, the dataset also includes other metal ions such as UO2(VI), Fe(II), and Fe(III). The dataset provides optimized geometries for hydrated and nitrate-containing hydrated complexes, together with representative ab initio molecular dynamics (AIMD) trajectories saved in standard XYZ formats. The accompanying NWChem input decks enable reproduction of the reported calculations and provide a starting point for extending the simulations to related coordination environments. Computationally, DFT calculations employ the B3LYP functional with DFT-D3BJ dispersion corrections and a COSMO continuum solvent model (dielectric constant 78.4) to represent solvation beyond the explicitly treated first hydration shell. AIMD simulations are performed with the NWChem qmd module at 298 K, integrating nuclear motion with the velocity-Verlet algorithm and controlling temperature using a Nosé–Hoover thermostat. Trajectories are approximately 4.8 ps in length and are used primarily to assess short-time stability of candidate coordination motifs, including (for lanthanides) differences between 8- versus 9-water coordination and comparisons between nitrate-bound and nitrate-free hydrated complexes.

Dinpajooh, Mohammadhasan [Pacific Northwest Nation↗

Smart-PGSim: Using Neural Network to Accelerate AC-OPF Power Grid Simulation

In this work we address the problem of accelerating complex power-grid simulation through machine learning ( ML). Specifically, we develop a framework, Smart-PGSim,which generates multitask-learning (MTL) neural network (NN)models to predict the initial values of variables critical to the problem convergence. MTL models allow information sharing when predicting multiple dependent variables while including customized layers to predict individual variables. We show that,to achieve the required accuracy, it is paramount to embed domain-specific constraints derived from the specific power-grid components in the MTL model. Smart-PGSim then employs the predicted initial values as a high-quality initial condition for the power-grid numerical solver (warm start), resulting in both higher performance compared to state-of-the-art solutions while maintaining the required accuracy. Smart-PGSim brings 2.60×speedup on average (up to 3.28×) computed over 10,000 problems, without losing solution optimality.

machine learning, neural networks↗

Monte Carlo Analysis of the Performance of the ITER Diagnostic Residual Gas Analyzer

The composition of exhausted gas is a key parameter in long-pulse plasma fusion experiments, and its evolution shall be monitored at timescales relevant to plasma dynamics and plasma-wall interactions. A diagnostic residual gas analyzer (DRGA) is a multisensor instrument particularly suited to these studies, and ITER will adopt DRGAs in the equatorial and in the divertor tokamak regions. In this work, we have revisited the design of the ITER divertor DRGA through simple vacuum analytical considerations supported by simulations conducted with Molflow+, a test particle Monte Carlo (TPMC) simulation code commonly used in the particle accelerator community. Here, starting with recommendations on the manufacturing of the vacuum piping of the DRGA, this work is followed by a complete vacuum characterization of the diagnostic vacuum setup (pressure profiles at base pressure and during sampling, orifice diameter, and length optimization), and finally, the in-vessel residence time of the most important gas species is simulated. These studies have allowed us to give insights into some experimental results recently found on the prototype DRGA installed in the Wendelstein W7-X stellarator.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Software Defined Architectures for Portability and Performance

The Software Defined Architectures for Portability and Performance (SODAPOP) project developed a co-design framework to partition and map converged applications on specialized heterogeneous architectures. We started from key domain applications that combine scientific simulation with data analytics and machine learning as drivers to integrate our framework. The framework includes high-level compilers that interfaces with high-level programming frameworks, domain-specific optimization passes, and hardware-oriented optimizations. The framework leverages hardware generators to enable specialization and facilitate exploration of custom system designs.

97 MATHEMATICS AND COMPUTING↗

Coolant Pump Predictive Data Analytics from Signatures Generated by the Recursive Short Time Fast Fourier Transform

Although a nuclear reactor is a hostile environment for sensors and signal transmissions, the reactor core is amenable to acoustic communication. An acoustic measurement infrastructure installed at the Advanced Test Reactor (ATR) nozzle trench area records acoustic signals that can capture reactor operating states. The distinct states produce unique signatures that can be identified and tracked using data processing and data analytics. The infrastructure relies on acoustic transmission through ATR in-pile structural components, piping, and coolant that transmit acoustically modified signals generated by the coolant pumps. This paper will discuss results from using the Recursive Short Time Fast Fourier Transform (RSTFFT) technique used to process acoustic signals and provide signatures that are identified and monitored by analytics. The RSTFFT is applied to ATR data to understand the vibration levels and signatures for different operating regimes as displayed by the spectrogram. The combination of coolant pumps for normal and high-power operation generate unique signatures. These acoustic signatures are used to develop machine learning approaches to automatically classify operating regimes. Two machine-learning models, Support Vector Machines and Linear Discriminant Analysis, were developed to classify two event classes. Class 1 is a normal steady-state operation, and Class 2 is any event that is due to start up, shut down, or other actions. Both types of machine learning models had over a 96% prediction accuracy for the two classes. These results lay the foundation for predictive analytic frameworks that can be leveraged by ATR to optimize operations and maintenance.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗