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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Urban morphology and urban water demand evolution in the Los Angeles region

Detailed description of the dataset sources used in this study, the experimental workflow, and plotting for the paper figures provided at the associated GitHub Meta Repo: https://github.com/IMMM-SFA/Ferencz_et_al_2024_ERL The future water demand projections from this study are hypothetical future water demands that reflect the population and urban land cover changes represented by the scenarios considered. The intent and emphasis of this work is investigating the interactions between population change, evolution of urban morphology, and water demand. These projections are not meant to be likely future demands for specific water providers or the LA region and should not be interpreted as such. The folders contain input and output data for each step of the "Recreate my Experiment" workflow described in the associated GitHub meta-repository as well as data used for plotting Figures for the paper that this dataset supports. Description of each folder's contents and use: Step_1a: All necessary inputs to the associated python script provided on the GitHub repo. Step_1b: All necessary inputs (downscaled population rasters) used by the associated python script provided on the GitHub repo. Original 1-km squared rasters that were downscaled also provided. Step_1c: Urban growth projection rasters corresponding to SSP3 and SSP5 population scenarios are provided in separate subfolders as well as the water provider boundaries used for analysis. Outputs of data processing also provided. Associated python script provided on GitHub. Step_1d: Description of Inputs used by the QGIS Model Builder GUI that automates geospatial processing and clipping the of the high resolution land cover data for each urban land class footprint within a defined polygon boundary. The Model Builder is provided on the GitHub repo and can be used by QGIS. The outputs of this step are in "Clipped Provider Hi Res Landcover". If the user wants to use The Model Builder for different regions of LA or two test our outputs, they will need to download the hi resolution landcover raster listed in the Readme and in Ref [2] of the GitHub Page. Step_1e: All necessary inputs to generate average monthly demand for each water provider. Associated python script on GitHub. Step 2: Output data about land cover metrics (areas and fractions) for each urban land class for each water provider. Associated python script on GitHub. Uses outputs from Step 1d "Clipped Provider Hi Res Landcover" Step 3: Inputs for and Outputs from the urban projection raster analysis Python script on GitHub. The outputs are rasters of urban pixels that were converted to a higher land class and the number of land class units that changed (Values of 1, 2, or 3). For example, a value of 2 could be LC 21 -> 23 or LC 22 -> 24. These maps are label "intensification." The other outputs are "urban growth" rasters showing the conversion of non urban to urban land, which are indicated by pixel values of 1. Step 4: Output projections of indoor and outdoor annual and monthly demands for each water provider. These are used for Figures 4 - 7 of the paper. Figures: This folder has data used for plotting Figures 1 through 5. Data for Figures 6 and 7 are sourced directly from folders associated with the Processing and Analysis Steps 1 - 4 and the plotting scripts for Figures 6 and 7 are commented with what folder paths are needed to generate the figures. The GitHub page provides descriptions of how each figure was made and the associated plotting scripts used.

Los Angeles↗
DOE OSTI2022

Control Design for a Marine Hydrokinetic Cycloturbine Vehicle

Abstract Marine Hydrokinetic (MHK) cycloturbines generate sustainable power by exploiting tidal currents. By powering the turbines and using pitching foils for control, a vehicle comprised of MHK cycloturbines also has the ability to station keep and maneuver. The vehicle consists of four counter-rotating cycloturbines, with hydrofoils oriented perpendicular to the flow in a paddlewheel configuration. Lift and drag generated from these foils sum together to produce thrust. An experimentally tuned simulation model that solves the six-degrees-of-freedom rigid body equations of motion for the MHK vehicle subject to hydrodynamic, hydrostatic, and propulsive forces is used to aid the design of vehicle controllers. Global feedback controllers are initially designed by applying classical control methods to an approximate linear model of the system dynamics. A higher performing nonlinear controller is designed using the nonlinear dynamic inversion (NDI) method. NDI accounts for the nonlinearities of the MHK system and therefore is suitable for a wide range of operating conditions. The response of the classical and NDI controllers to speed, depth, roll, pitch, and yaw commands are evaluated and compared in simulation. The classical controller outperforms the NDI controller for small amplitude maneuvers, although the degradation with NDI is minor. However, in the nonlinear operating regime the NDI controller outperforms the classical controller and the classical controller exhibits instability.

Automation & Control Systems↗
DOE OSTI2024

Systematic exploration of the thermochemistry for a set of peroxy hydroperoxy-alkyl radicals

Here, the thermochemistry of peroxy hydroperoxy-alkyl ($\overline{O}$OQOOH) radicals has a significant influence on the reactivity of fuels and on the formation of highly oxygenated molecules (HOMs) in the atmosphere. Theoretical characterization of these radicals can be arduous due to their molecular size and complex fundamental interactions, such as hydrogen-bonding and torsional anharmonicity, and difficult to validate in the absence of any direct experimental thermochemical data. In this work, we systematically explore the thermochemistry of a set of $\overline{O}$OQOOH radicals with five increasingly affordable approaches with considerations for these interactions. In doing so, we present a novel conformer selection approach suited to predict properties at combustion temperatures. As a corollary, we also highlight the shortcomings in the standard choice of the ground conformer as the reference. The set of molecules is comprised of 149 C 2 -C 8 $\overline{O}$OQOOH radicals, selected to encompass a wide variety of branching and substitution patterns. Comparisons amongst the approaches help quantify the errors arising from various simplifying assumptions. For the largest of these radicals, and with the most affordable approach, final predictions of Gibbs energies are assigned a 2 σ uncertainty of 4 kcal mol -1 in the negative temperature coefficient region.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

An extended methodology for automated calculations of non-Boltzmann kinetic sequences: H + C 2 H 2 + X and combustion impact

It is generally assumed in phenomenological kinetic models that bimolecular reactions only occur between species whose rovibrational energy follows a Boltzmann (thermal) distribution. That is, any complexes initially formed in non-Boltzmann distributions are assumed to be thermalized by energy-transferring collisions prior to bimolecular reactions. Given the high mole fractions of reactive species, X, in combustion environments, reactive collisions of the complexes with X often occur on the same timescale as energy-transferring collisions – yielding sequences proceeding through non-Boltzmann intermediates across multiple potential energy surfaces. Recent studies have shown that such non-Boltzmann kinetic sequences can have substantial impact on the global reactivity in combustion systems. Simulations of these non-Boltzmann reaction sequences, which can be described in phenomenological kinetic models via chemically termolecular reactions, require that rovibrational excitation from one potential energy surface be carried over to the next. Here this paper presents an extended theoretical and computational methodology that couples multiple master equations and derives rate constants for phenomenological reactions describing the conversion of thermal reactants to thermal products for use in phenomenological kinetic schemes. The methodology is then implemented using in-house scripts for non-Boltzmann sequences involving C2H$^*_3$ + X (with X = O 2 , H, and OH) where C 2 H$^*_3$ is formed via H + C 2 H 2 association – which were identified as having strong potential for influencing combustion predictions in a recent study. The results reveal that non-Boltzmann reaction sequences for X = O 2 (the primary focus of this paper) significantly alters the total conversion rate from H + C 2 H 2 to products and product branching fractions from those of thermal sequential pathways. Furthermore, the present results demonstrate that non-Boltzmann reaction sequences have significant impact – as high as an order of magnitude – on predicted ignition delay times. Similarly, they yield significantly different dependence of ignition delay times with temperature and O 2 mole fraction – yielding signatures that are likely observable experimentally.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Automation and control of laser wakefield accelerators using Bayesian optimization

Laser wakefield accelerators promise to revolutionize many areas of accelerator science. However, one of the greatest challenges to their widespread adoption is the difficulty in control and optimization of the accelerator outputs due to coupling between input parameters and the dynamic evolution of the accelerating structure. Here, we use machine learning techniques to automate a 100 MeV-scale accelerator, which optimized its outputs by simultaneously varying up to six parameters including the spectral and spatial phase of the laser and the plasma density and length. Most notably, the model built by the algorithm enabled optimization of the laser evolution that might otherwise have been missed in single-variable scans. Subtle tuning of the laser pulse shape caused an 80% increase in electron beam charge, despite the pulse length changing by just 1%.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

An exploration of online-simulation-driven portfolio scheduling in Workflow Management Systems

Workflow Management Systems used to automate the execution of scientific workflow applications on parallel and distributed computing platforms must make scheduling decisions at runtime. A large number of workflow scheduling algorithms have been proposed in the literature, but often these algorithms are evaluated based on simplifying assumptions that may not hold in practice. Furthermore, published algorithm evaluation and/or comparison results are necessarily only for a subset of all possible scenarios, and thus may not include scenarios relevant to particular use-cases. Consequently, it is difficult for Workflow Management Systems (WMSs) developers to decide which scheduling algorithm should be implemented. To obviate this difficulty, one possible approach is to implement a portfolio of scheduling algorithms and select the most effective algorithm at runtime. One method for performing this selection is to run an online simulation for each algorithm in the portfolio. The algorithm that leads to the best performance, in simulation, is selected for future use. The above simulation-driven portfolio scheduling (SDPS) approach has been proposed in a few parallel and distributed computing contexts. The main objective of this work is to evaluate the feasibility and potential merit of SDPS if implemented in WMSs. Here we perform this evaluation using simulated WMS executions, where the simulations are instantiated from real-world platform and workflow configurations. Our main finding is that SDPS is on par with or outperforms an approach in which a single algorithm is used, where this algorithm is the one that performs best on average across all our experimental scenarios. Furthermore, we find that SDPS remains an attractive proposition even in the presence of high levels of simulation error and for simulators with relatively low levels of sophistication. In many of our experimental scenarios we find that mitigating simulation error at runtime can further improve performance. Finally, we show that simulation overhead can be made sufficiently low for SDPS to be feasible in practice.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Embedded EPICS server for PowerPMAC motion controllers

An embedded server layer of Experimental Physics and Industrial Control System (EPICS) for PowerPMAC motion controllers has been developed and deployed at two undulator beamlines of the National Institute of General Medical Sciences and the National Cancer Institute (GM/CA) Structural Biology Facility at the Advanced Photon Source (APS). This compact, open source solution makes the power and versatility of PowerPMAC motion controls directly accessible to distributed EPICS clients. At GM/CA the system controls about 200 servo and stepper motors — both encoded and unencoded — and multiple digital and analog I/O accessories. The server stack comprises two sublayers: a lower-level driver and database that communicates directly with PowerPMAC, and a facility-specific soft sublayer built on top. The paper describes installing EPICS on PowerPMAC, the implementation of both layers and client examples, including on-the-fly scanning.

EPICS↗
DOE OSTI2022

Digitalization of an experimental electrochemical reactor via the smart manufacturing innovation platform

The exponential increase in data produced over the last two decades has revolutionized the way we collect, store, process, analyze, model, and interpret information to improve profitability. Manufacturing is no exception. How- ever, Smart Manufacturing, the digital practice, organization, workforce, and infrastructure transformation for collection and deployment of data and models at scale and at all levels of manufacturing, is a complex, costly, and labor-intensive journey that is still seeing slow adoption. The Clean Energy Smart Manufacturing Innovation Institute (CESMII), a national Manufacturing USA public-private partnership sponsored by the Department of Energy, is addressing this scaled use of data and modeling in manufacturing. CESMII has focused on how to col- lect and use operating data for numerous applications that improve productivity, precision, and performance of manufacturing operations from factory floor to supply chain using process simulation, predictive analytics, mon- itoring and control, and real-time optimization. Because contextualized data are key, CESMII has developed the Smart Manufacturing Innovation Platform (SMIP) to lower the barriers to the data that are needed to accelerate data-based model building, improve data visualization, and more quickly gain insights. Reusable, standards-based ways of doing data collection, ingestion, and contextualization are particularly important for scaling access and use of data. The SMIP uses a standards-based definition and construct for reusable information models called an SM Profile. When an SM Profile is used in conjunction with the SMIP, the SMIP ensures the availability of contextualized, operational data for model building. The present work demonstrates Smart Manufacturing and the application of the SMIP for building several data-centered models for the operation and control of an ex- perimental electrochemical reactor that reduces carbon dioxide (CO 2 ) gas to valuable liquid and gas chemicals, such as alcohols, olefins, and syngas. We describe how the SMIP plays a central role in more effective model building and we demonstrate how the electochemical reactor can be controlled and optimized for the desired products. Use of the SMIP involves the transmission of real-time sensor measurements to a cloud resource so that the operating data are available to all model building experts. The data collection and transmission process is fully automated to greatly reduce the need for manual manipulation of the data. Data-driven machine learning models are used for advanced real-time state estimation, real-time optimization, and model-based feedback control for the reactor. The application models are implemented as a system to monitor the data flow and control the electrochemical reactor with a single visualization interface. SM Profiles are used to demonstrate reusability of the information models for the reactor and the instrumentation. The application packages, algorithms, and user interfaces developed are cast as Docker images in a library to facilitate reusability of the application models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Multi-physics Topology OPtimization and Additive Manufacturing for High-temperature Heat Exchangers

This research significantly advances the understanding of high-temperature heat exchanger design through an integrated approach that combines topology optimization (TO), triply periodic minimal surface (TPMS) structures, additive manufacturing (AM) and thermohydraulic testing. Each of these components contributes uniquely to a unified, high-performance design, fabrication and testing workflow. Topology optimization serves as the foundation of the design methodology by providing a systematic way to determine the most effective material layout for separating hot and cold fluids while maximizing thermal performance. The researchers introduced a novel three-material optimization framework using two density fields to represent hot fluid, cold fluid, and solid domains. This approach enables automated discovery of optimal shapes and flow paths that cannot be intuitively designed, especially under constraints imposed by manufacturing technologies. Furthermore, constraints such as minimal wall thickness and overhang angles were embedded into the optimization process, ensuring that resulting designs are not only thermally efficient but also manufacturable using modern additive techniques. In parallel, the study delves into the use of Gyroid-based TPMS geometries for constructing the core of the heat exchanger. TPMS structures are known for their high surface area, excellent fluid mixing capabilities, and minimal pressure drop characteristics. The researchers applied a data-driven modeling framework using Heteroscedastic Sparse Gaussian Process Regression (HSGPR) combined with genetic algorithms. This allowed for the rapid evaluation and optimization of key geometric parameters such as frequency, iso-value, and phase shift. The result was a set of Gyroid structures tailored for high heat transfer and low flow resistance, demonstrating clear improvements over conventional straight-channel designs. After the designing process, additive manufacturing played a critical role by turning these highly complex, optimized geometries into physical components. Utilizing Laser Powder Bed Fusion (LPBF) with Haynes 282, the study demonstrated the feasibility of fabricating these heat exchangers at high precision. Post-processing methods, including dilation-erosion operations, were applied to ensure local features adhered to self-supporting constraints. The fabricated structures were then subjected to thermohydraulic testing under conditions representative of supercritical CO 2 Brayton cycles, validating the predicted performance and confirming the viability of the full design-to-fabrication pipeline. Finally, thermohydraulic testing across the above studies served as a crucial experimental validation of advanced heat exchanger. Under consistent high-temperature and high-pressure conditions using supercritical CO 2 , the testing demonstrated that both TO and Gyroid-based TPMS designs significantly outperformed conventional straight-channel HXs. The TO design achieved a 115% increase in UA and NTU and a 27.6% boost in gravimetric power density, while the data-driven optimized Gyroid design delivered a 166% increase in UA and NTU and improved effectiveness from 68.7% to 86.1%. These results validate the simulation models, confirm the manufacturability of complex geometries under AM constraints, and provide key insights into design-performance trade-offs, thereby advancing the development of high-efficiency, compact heat exchangers for extreme environments.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Anomaly Detection, Localization and Classification using Drifting Synchrophasor Data Streams

With ongoing automation and digitization of the electric power system, several Phasor Measurement Units(PMUs) have been deployed for monitoring and control. PMU data can have multiple anomalies, and many of the researchers in the past have concentrated on training machine/deep learning algorithms offline for anomaly detection over PMU data (i.e., not in real time). These machine/deep learning algorithms, when trained offline on a sample rather than a population of the dataset, fail to consider the dynamic behavior of the power grid in real-time, resulting in low accuracy. Considering the dynamic behavior of the power grid (e.g., change in load, generation, distributed energy resources (DERs) switching, network, controls), the definition of data anomalies varies in time and requires online training. A fundamental challenge is to enable online (i.e., real-time) training of machine/deep learning algorithms for anomaly detection over streaming PMU data. While machine/deep learning is often desirable to manage data streams, training a deep learning algorithm over streaming PMU data is nontrivial due to changes in data statistics caused by dynamic streaming data. This paper proposes PMUNET: a novel device-level deep learning-based data-driven approach for anomaly detection, localization, and classification over streaming PMU data, using online learning and multivariate data-drift detection algorithm .Two variants of PMUNET, Dynamic data Change Driven Learning (DCDL) and Continuity Driven Learning (CDL), are proposed and compared. DCDL aims to train the deep learning algorithm whenever the definition of anomaly changes due to the power grid dynamics. On the other hand, CDL continuously trains the deep learning algorithm over the PMU data-stream. The experimental results verify that DCDL outperforms CDL and other efficient anomaly detection methods over multiple events such as faults and load/ generator/capacitor/DERs variations/switching for IEEE 14 and 39 Bus test system as well as real PMU industrial data. The result verifies that DCDL variant of PMUNET improves over existing approach with a gain of 2% - 10% in terms of accuracy, false-positive rate, and false-negative rate.

adversarial deep learning↗
DOE OSTI2020

Carbon Fiber Prepreg Recycling- Automated Perform Manufacturing Equipment (Final Technical Report)

Discontinuous fiber composites have a compelling business case as related to light metals such as aluminum and magnesium machined or die cast components. DFC’s have been in commercial production using carbon fiber/epoxy prepreg for both commercial aircraft and for military applications for a number of years and their usage is expanding into automotive and consumer goods components. Reasons for this include significantly lower cost as compared to continuous fiber composites easier design and understanding of the material by metal traditionalists, higher degree of part complexity with relatively simple and low cost molds when compared to high-pressure die casting, and potential for near zero waste. IACMI’s 10-year goals of reduction in carbon fiber reinforced plastics manufacturing cost by 25%, reduction in their embodied energy by 50%, and recyclability of 95% can all be advanced through robust recycling. With recycling We have shown that a 15% contribution in manufacturing cost reduction is feasible, that a significant reduction in embodied energy (over 90% for the recycled fraction) is achievable, and that when combined with primary pyrolysis recycling, the 95% target can be met. Large-scale application of advanced composites began with the aerospace industry, and CRTC’s location in Washington State provided access to a waste stream of nearly 900 tonnes/year that was going to landfill. As the aerospace industry has automated parts production, their material forms have become significantly easier to recycle, and some evidence of this exists for the future automotive and wind turbine components as well. CRTC decided to focus on re-purposing the carbon fiber/epoxy aerospace scrap streams through materials reformatting and reuse, and not on primary recycling (pyrolysis mainly) as this technology is commercially available. The main reasons for this were that it offers a route to effective use of the most widely available and consistent feedstock called edge-trim, as well as allows creation of complex and low-cost parts using rapid and cost-effective compression molding technologies. The reasons also include leading the way for potential automotive pre-preg recycling as the combination of roughly 85% virgin pre-preg and 15% recycled pre-preg directly supports IACMI’s goals and enables significant part cost reduction and a path to zero-waste composite manufacturing at the OEMs or Tier 1’s. The purpose of the project was to develop equipment and technology to transform continuous fiber pre-preg in roll forms into smaller chip-format DFC feedstock, and to determine impacts on moldability and performance based on lessons learned along the path. The availability of scrap from pre-preg manufacturers was a significant value to the program even though the aerospace pre-preg is designed to be autoclave molded thus has handling, tackiness, and processing factors that are not ideal for DFCs. The scope of the project was to develop a Phase 1 system that could identify and resolve some of the major hurdles, determine where to focus effort on building a commercial-scale Phase 2 system, and develop technology for handling a wide variety of incoming scrap materials to produce the most usable product. A chopping system was developed and reduced to practice via an experimental approach that enabled all forms of scrap coming from the pre-preg manufacturers and some forms of the scrap coming from OEM production lines to be very effectively re-purposed. The systems that were developed were not considered to be production robust but rather identified and resolved some of the major technical hurdles, and demonstrated the path towards effective full-scale commercialization.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Employing MACS/ViBRANT as a Surrogate MARVEL Reactor for Startup Reactivity Tuning and Supervisory Control Processes

Advanced nuclear reactors are a key part of the future of nuclear energy both in the United States and globally. They offer unique benefits for various energy-demanding applications, including use in remote locations, compact size, modular manufacturing, remote monitoring, low and/or variable power rating operation, and reliance on novel technologies to enhance operational safety. To achieve economic feasibility, advanced reactors must significantly reduce their workforces in comparison with the current fleet. Achieving this reduction will occur through reducing staff workloads using technology to achieve autonomous or semi-autonomous operations, demonstrated by comprehensive testing and validation activities. These operations will require both software and hardware platforms during the design and testing phases. While simulations are useful during the design phase, their performance can significantly deviate during actual deployment on hardware. This report presents the outcomes of a collaborative technical initiative between the U.S. Department of Energy (DOE) Microreactor Program (MRP) and Advanced Sensors and Instrumentation (ASI) Program. The collaboration utilized the Microreactor Automated Control System (MACS) hardware platform to bridge the gap between theoretical reactor design and actual startup and control operations. Two key use cases were investigated: facilitating the startup testing period and demonstrating supervisory control. The first use case details the key Microreactor Applications Research Validation and Evaluation (MARVEL) reactor startup physics testing activities conducted using the MACS platform. These activities included drum worth measurements, shutdown margin assessment, temperature feedback analysis, and scram time evaluation, as well as unique testing that would apply to the MARVEL reactor to demonstrate the testing methodologies in a low-risk environment. The MACS platform, serving as a surrogate representation of the MARVEL reactor, proved instrumental in performing these tests. The exercise revealed aspects that led to optimized processes, refined hardware design, and enhanced base software capabilities. By maturing methods and technologies in this manner, the initiative promises to reduce wasted time in the actual on-site reactor deployment effort, thereby saving significant time and resources. The second use case focuses on the development and implementation of supervisory control methods aimed at managing core tilt, which can result from asymmetrical operations or manufacturing imperfections in fuel rods or reactivity control devices. A key objective was to assess and compare the use of artificial intelligence (AI) for supervisory control. The effort aimed to define the role of supervisory control to enhance performance without risking control instability. This effort explored three distinct approaches: rules-based (RB) methods, optimization techniques, and reinforcement learning (RL) algorithms. Each approach was evaluated for its ease of implementation, its usability, and its effectiveness in responding to asymmetries in neutron flux. Comparative analysis of these approaches provided valuable insights into their applicability and effectiveness, offering a robust framework for advanced reactor operations. Together, these two use cases highlight the potential of hardware test beds to help streamline the design, operation, and control of advanced nuclear reactors. This collaborative effort underscores the importance of continued innovation and experimentation in achieving the next generation of safe, reliable, and economically viable nuclear energy solutions.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Comparison of Zirconium Redistribution in BISON EBR-II Models Using FIPD and IMIS Databases with Experimental Post Irradiation Examination

Metallic fuels have seen increased interest for future sodium fast reactors due to their material properties: high thermal conductivities and advantageous neutronic properties allow for greater fission densities. One drawback to typical metallic fuels is zirconium redistribution, which impacts this advantageous material and its neutronic properties. Unfortunately, the processes behind zirconium migration behavior are understood using first principles, so before these fuels are implemented in future fast reactors, characterization and fuel qualification regimes must be completed. These activities can be supported through the use of robust modeling using the most accurate empirical models currently available to fuel researchers around the world. The tool that allows researchers to model this complex coupled thermo-mechanical behavior and nuclear properties is BISON. Additionally, BISON model parameters need to be compared against PIE measurements. The current work utilizes two fuel pins from EBR-II experiment X441 to optimize various model parameters, including porosity correction factor, thermal conductivity, phase transition temperature, and diffusion coefficient multipliers, before implementing the final model for seven fuel pins with differing characteristics. To properly evaluate the BISON simulations, the results are compared to PIE metallography data for each fuel pin, to ensure the zirconium redistribution is properly reflected in the simulation results. Six out of seven analyzed fuel pins demonstrate good agreement between the metallography images and BISON results, showing alignment of the Zr-rich, Zr-depleted, and moderately Zr-enriched zones at various axial heights along the fuel pins. Further work is needed to refine the model parameters for general pin use.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Comparing Control Performance Between Simulation and Experiment using the Microreactor Automated Control System Testbed

In the advanced reactor domain, a flexible and scalable software/hardware infrastructure is crucial for integrating and validating various control technologies. This study used the Microreactor Automated Control System (MACS) hardware platform as a testbed. MACS was originally designed to mirror Idaho National Laboratory (INL)'s Microreactor Applications Research Validation and Evaluation (MARVEL), a 85-kW thermal fission microreactor. It features control drums for simulated reactivity control; lights that function as a surrogate reactor core, with the brightness being proportional to the reactor power; and light sensors that emulate neutron detectors. To transform MACS into a physical twin of MARVEL for evaluating control methods, the Control and Optimization Modular Modeling Application for Nuclear Deployment (COMMAND) software was employed. This software integrated the hardware with two models of the MARVEL core, based on Reactor Excursion and Leak Analysis Program (RELAP5-3D) and Monte Carlo N-Particle (MCNP) models. The study aimed to demonstrate the gap between control theory and actual practice—a gap that often necessitates empirical adjustments such as control gain retuning, filters, time discretization, and integrator anti-windup measures. Controllers were developed based on increasingly complex simulations without hardware, starting from the base MARVEL model and then introducing actuator saturation constraints and sensor noise. The final control strategy was then tested using MACS, and a comparative performance analysis was conducted.

46 - INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AN↗
DOE OSTI2023

Accelerating crystal structure determination with iterative AlphaFold prediction

Experimental structure determination can be accelerated with artificial intelligence (AI)-based structure-prediction methods such as AlphaFold . Here, an automatic procedure requiring only sequence information and crystallographic data is presented that uses AlphaFold predictions to produce an electron-density map and a structural model. Iterating through cycles of structure prediction is a key element of this procedure: a predicted model rebuilt in one cycle is used as a template for prediction in the next cycle. This procedure was applied to X-ray data for 215 structures released by the Protein Data Bank in a recent six-month period. In 87% of cases our procedure yielded a model with at least 50% of C α atoms matching those in the deposited models within 2 Å. Predictions from the iterative template-guided prediction procedure were more accurate than those obtained without templates. It is concluded that AlphaFold predictions obtained based on sequence information alone are usually accurate enough to solve the crystallographic phase problem with molecular replacement, and a general strategy for macromolecular structure determination that includes AI-based prediction both as a starting point and as a method of model optimization is suggested.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Lab-Scale, Closed-Loop Experimental Characterization, Model Refinement, and Validation of a Hydrokinetic Energy-Harvesting Ocean Kite

This paper presents a study wherein we experimentally characterize the dynamics and control system of a lab-scale ocean kite, and then refine, validate, and extrapolate this model for use in a full-scale system. Ocean kite systems, which harvest tidal and ocean current resources through high-efficiency cross-current motion, enable energy extraction with an order of magnitude less material (and cost) than stationary systems with the same rated power output. However, an ocean kite represents a nascent technology that is characterized by relatively complex dynamics and requires sophisticated control algorithms. In order to characterize the dynamics and control of ocean kite systems rapidly, at a relatively low cost, the authors have developed a lab-scale, closed-loop prototyping environment for characterizing tethered systems, whereby 3D printed systems are tethered and flown in a water channel environment. While this system has been shown to be capable of yielding similar dynamic characteristics to some full-scale systems, there are also fundamental limitations to the geometric scales and flow speeds within the water channel environment, making many other real-world scenarios impossible to replicate from the standpoint of dynamic similarity. Here, to address these scenarios, we show how the lab-scale framework is used to refine and validate a scalable dynamic model of a tethered system, which can then be extrapolated to full-scale operation. In this work, we present an extensive case study of this model refinement, validation, and extrapolation on an ocean kite system intended for operation in the Gulf Stream or similar current environments.

42 ENGINEERING↗
DOE OSTI2026

Toward Unified Autonomous Scattering Experiments: A Cross-Facility Case Study at ALS and PETRA III

Autonomous experiments rely on the integration of control, data acquisition, analysis, and decision-making frameworks. While such systems have been demonstrated at individual facilities, adapting them to additional instruments remains challenging due to differences in local infrastructure. We present a modular workflow that connects existing open-source tools for data access (Tiled), workflow orchestration (Prefect), analysis and visualization (pyFAI, Plotly Dash), and Gaussian-process-based adaptive sampling (gpCAM) into a unified framework for autonomous scattering experiments. The same configuration operates across two synchrotron beamlines (ALS 7.3.3 and PETRA III P03) with only minimal facility-specific adjustments, as shown in proof-of-concept demonstrations. This validates that a consistent design emphasizing modularity and shared interfaces can ease deployment across diverse experimental environments. The resulting framework provides a flexible foundation for extending autonomous control and analysis capabilities beyond a single beamline or instrument.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Second Report of the Nuclear Data Subcommittee of the Nuclear Science Advisory Committee

The central importance of the nuclear data curated by the US Nuclear Data Program (USNDP) for clean energy generation, national security, nonproliferation, medical applications, and space exploration as well as basic science was described in a prior report issued by the DOE/NSF Nuclear Science Advisory Committee subcommittee on Nuclear Data (NSAC-ND) in September 2022. In this report, we present a set of fourteen (14) recommendations that will enhance and advance DOE-NP's stewardship of nuclear data. The first three recommendations focus on the existing core USNDP capabilities, namely: 1) Support the nuclear structure evaluation workforce to improve the currency, consistency, and accessibility of the Evaluated Nuclear Structure Data File (ENSDF); 2) Enhance nuclear reaction evaluation within the USNDP in support of the Evaluated Nuclear Data File (ENDF) through expansion of the workforce and integration of high-performance computing, automation, and machine learning and; 3) Continue atomic mass evaluation in support AME and NUBASE databases. This is followed by eight (8) recommendations representing new cross-cutting initiatives involving both measurement and evaluation to address outstanding nuclear data needs. These new initiatives require a highly trained, diverse workforce that includes personnel with expertise from both inside and outside the nuclear physics community from which evaluators have traditionally been recruited. As such, many of these initiatives are accomplished via a Topical Nuclear Data Collaborations (TNDC). A TNDC is made up of domestic and international stakeholders, subject matter and nuclear data experts, and nuclear data evaluators and features a workforce development plan to ensure that nuclear data evaluators maintain currency in the relevant applications and are seen as equity partners in the endeavor. These include: 1) Establish a coordinated effort to improve evaluation and modeling in nuclear astrophysics for stellar dynamics, multi-messenger astronomy and nucleosynthesis; 2) Initiate a TNDC to develop and maintain nuclear structure evaluation beyond discrete states, including nuclear level densities, photon strength functions and photonuclear data for improved reaction modeling, and exploring nuclear structure at finite temperature; 3) Create a TNDC to perform correlated fission data evaluation, including cross sections, fragment yields, v(A), v(E n ) for nuclear energy, national security, nonproliferation and basic science; 4) From a panel of subject matter experts to establish and annually update a roster of key decay data to nurture its accelerated dissemination including both measurement and evaluation for targeted high-value nuclides for national security, nonproliferation and medical applications; 5) Comprehensive, consistent neutron-induced structure and reaction data for nuclear energy, national security, nonproliferation and planetary nuclear spectroscopy; 6) Charged-particle stopping powers for detector design, space effects and ion beam therapy; 7) High-energy reactions for space exploration and medical nuclide production, and; 8) The creation of an infrastructure for open data and data preservation for use by the entire nuclear physics community. All told, these initiatives require approximately $6.5M increase in NP support of the USNDP in fiscal year 2023 dollars and would require at least 3-5 years to carry out due to the length of time needed to recruit and train new nuclear data researchers. This relatively modest investment would help ensure that the fruits of the nuclear data research carried out by DOE-NP and its collaborators would be brought to bear to address some of the most important needs of our nation and the world. To ensure effective execution of this plan, we present an overview of recruitment, training, and retention goals for the USNDP, the centerpiece of which is a mutually agreed upon code of conduct. Finally, we identify the facility and instrumentation needed to perform the recommended experimental activities. This includes a short review of target fabrication capabilities, reactors, neutron beam, light- and heavy-stable ion, gamma-ray, high-energy and radioactive ion beam facilities. Lastly, a more complete appendix of experimental facilities previously compiled is included with new input provided for 6 facilities.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗