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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 811 records · Page 45

Managing autonomous materials labs with multi-agent AI and its implications for the science of science

Self-driving lab systems (aka, autonomous experimentation) accelerate research - letting scientists learn faster, spend less resources, and fail smarter in well defined, narrow studies. The next-generation materials lab combines self-driving systems to tackle broader challenges - orchestrating complex research campaigns while optimizing lab resources. We propose that agent-based and agentic artificial intelligence will be an integral part of next-generation lab management and discuss potential implementation scenarios. Additionally, digital and physical sandboxes will allow scientists to evaluate diverse and dynamic research and lab management strategies. Beyond the immediate benefit to lab optimization, such sandboxes will enable realistic computational studies of the philosophy of science (i.e., science of science) to achieve higher level scientific efficiencies.

Computer science↗

TxDOT Road Elevation Model Dataset

This dataset provides three formats of Road Elevation Model (REM) data: 3D road line/polygon GeoPackage (GPKG), road lidar LAZ and COPC LAZ, and road digital surface model (DSM) GeoTIFF. Data are produced from the ~50TB TxGIO (formerly TNRIS) state lidar collections. This dataset is currently organized by maintenance section in each TxDOT district. Computation is done on GPU computing resources at Oak Ridge National Laboratory (ORNL), through a Strategic Partnership Project with UT Austin and an NSF ACCESS computing allocation award that enables fast massive data movement between TACC Corral and ORNL CADES/OLCF using Globus. In addition to this release from ORNL, a copy of this dataset can also be downloaded at https://web.corral.tacc.utexas.edu/nfiedata/road3d/.

13 HYDRO ENERGY↗

Image Alignment and Flat-Field Correction of Film and Computed Radiography Images on the LLNL Flash Testbed

Computed radiography (CR) imaging plates and film are used in HEAF firing tanks and in the NDE group. The imaging plates allow for the creation of high-resolution digital images with flash X-ray (FXR). A typical treatment of flash X-ray radiographs is flat-field correction, where the image from an experiment is normalized by a “flat-field” or “bright-field” image. This flat-field image is taken in an identical configuration to the experimental image, but without the object or experiment in the field of view (FOV). This treatment reduces spatial effects from the FXR spot size and detector misalignment, as each pixel value in the corrected image represents a ratio of collected radiation with the object in FOV to the collected radiation without the object in FOV. One challenge in the creation of a corrected image is the misalignment of the CR plate or film pack between capturing the flat-field image and the experimental image. Fiducial structures can remedy this issue. Small (3.18mm) stainless steel ball bearings serve as good fiducial structures due to their small size and high radiographic contrast. Spheres are view-agnostic geometry, always presenting a circular cross section no matter the orientation. This process was developed for images from the flash X-ray testbed. The flash testbed was used to compare the X-ray transmission at different thicknesses of aluminum and copper step wedges. Each step wedge section is a rectangular shape, so evaluation is made much simpler if the rectangles are not rotated with respect to the image. This alignment process aligns the object and flat-field images together and leaves the rectangles of each step aligned with the image.

36 MATERIALS SCIENCE↗

Highway Eco-Driving of an Electric Vehicle Based on Minimum Principle

The digital map in the on-board navigation system on passenger vehicles nowadays gives controllers access to detailed information of a planned route. Connected automated vehicles equipped with high computing power, are able to process data and leverage high control freedom available through automation. This paper proposes a fast optimization algorithm for eco-driving of electric vehicles in highway cruising scenarios. The algorithm is based on optimal control theory and takes into account road grades as well as state constraints imposed by speed limits and safe headway to the preceding car. Using Autonomie, the proposed algorithm is evaluated by simulating two example scenarios. The first result demonstrates an energy saving potential of 4.4%.

connected automated vehicle↗

Outline Shape Analysis on the Trochlear Constriction and Olecranon Fossa of the Humerus: Insights for Sex Estimation and a New Computational Tool,

Abstract Sex estimation through visual analysis of the distal humerus can contribute to establishing the biological profile of an unidentified skeletal individual. Using statistical shape modeling, the trochlear constriction open curves and olecranon fossa closed outlines of 151 humeri were digitized and analyzed. The shape configurations exhibited strikingly different degrees of sexual dimorphism when evaluated using linear discriminant analysis with leave‐one‐out cross‐validation. The trochlear constriction performed poorly, correctly classifying 63.6% of the individuals. However, the olecranon fossa showed high sexual dimorphism, presenting a 94.0% accuracy. A simpler model using only two principal components was also generated. While the accuracy is slightly inferior (88.1%), it has the advantage of being constrained to bidimensional components that were translated into morphoscopic variables within a simulator interface. This allowed us to implement the method through a web application that does not require users to be trained in landmark digitization or have knowledge of geometric morphometrics.

Ammer, Saskia↗

Ground state energy and magnetization curve of a frustrated magnetic system from real-time evolution on a digital quantum processor

Models of interacting many-body quantum systems that may realize new exotic phases of matter, notably quantum spin liquids, are challenging to study using even state-of-the-art classical methods such as tensor network simulations. Quantum computing provides a promising route for overcoming these difficulties to find ground states, dynamics, and more. In this paper, we argue that recently developed hybrid quantum-classical algorithms based on real-time evolution are promising methods for solving a particularly important model in the search for spin liquids, the antiferromagnetic Heisenberg model on the two-dimensional kagome lattice. We show how to construct efficient quantum circuits to implement time evolution for the model and to evaluate key observables on the quantum computer, and we argue that the method has favorable scaling with increasing system size. We then restrict to a 12-spin star plaquette from the kagome lattice and a related 8-spin system, and we give an empirical demonstration on these small systems that the hybrid algorithms can efficiently find the ground state energy and the magnetization curve. For these demonstrations, we use four levels of approximation: exact state vectors, exact state vectors with statistical noise from sampling, noisy classical emulators, and (for the 8-spin system only) real quantum hardware, specifically the Quantinuum H1-1 processor; for the noisy simulations and hardware demonstration, we also employ error mitigation strategies based on the symmetries of the Hamiltonian. Our results strongly suggest that these hybrid algorithms present a promising direction for studying quantum spin liquids and more generally for resolving important unsolved problems in condensed matter theory and beyond.

97 MATHEMATICS AND COMPUTING↗

SECURED: Simulator-Enhanced Control and Understanding of Reactor systems for cyber-Event Defense

The study discusses a learning approach for analyzing cyber-events in reactor systems using integrated hardware and personal computer simulator models. Key points include the rise in cyber-attacks and their sophistication in industrial control systems (ICS), the necessity for awareness, understanding, resource allocation, and preparation to combat these threats, and the digital transformation of old and new nuclear plants, increasing their exposure to cyber threats. It highlights the cyber vulnerabilities of advanced reactor systems, which rely on digital instrumentation and control for operations and safety functions, making them susceptible to cyber-attacks. The approach involves demonstrating reactor system plant ICS cyber-attacks under various operational conditions utilizing tools like simulator models and hardware-based kits. A strategic solution approach tailored to critical infrastructure is emphasized, along with community engagement for public and government support, adopting effective learning approaches, and the preparation for anticipated future challenges. The presentation concludes with a call to action to address challenges, leverage opportunities, and advance through lesson learning in cybersecurity for nuclear energy systems.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Basic Research Needs for Inverse Methods for Complex Systems under Uncertainty

Inverse problems, which aim to infer unknown properties of a system using experimental and observational data, are central to addressing many of the U.S. Department of Energy’s (DOE) most critical scientific and engineering challenges. Accurate, computationally efficient, and data-efficient solutions to inverse problems are essential for advancing DOE mission-critical science drivers, including analyzing data from large-scale experimental facilities, optimizing fusion reactor performance, accelerating materials discovery, enhancing geophysical imaging, improving wildfire predictions, and enabling autonomous systems and digital twins. However, these problems are becoming increasingly complex, often involving nonlinear, highdimensional, and interconnected systems and models that span multiple physics and scales, while relying on data with varying quantity, quality, and information content. Compounding these challenges is the uncertainty inherent in DOE-relevant systems, where errors in inputs, noise in data, incompleteness of data, and discrepancies between models and reality constrain the accuracy and precision of solutions. At the same time, the convergence of recent scientific computing trends—scientific machine learning, artificial intelligence, and computing advances such as exascale computing—is creating unprecedented opportunities for tackling these challenges. The cross-cutting nature of inverse problems, combined with their growing complexity and rapidly evolving data and algorithmic demands, strongly motivates the formulation of a prioritized research agenda to maximize their capabilities and impact. In response to this need, DOE’s Advanced Scientific Computing Research (ASCR) program in the Office of Science convened the Workshop on Basic Research Needs for Inverse Problems for Complex Systems Under Uncertainty in June 2025. This workshop brought together experts across disciplines to identify grand challenges and major opportunities in the field. Through collaborative discussions, the workshop defined transformative research directions aimed at addressing the mathematical, statistical, and computational challenges posed by inverse problems under uncertainty. As a result of these efforts, four priority research directions (PRDs) were identified to guide future research and development in this area. These PRDs, summarized below, represent a roadmap for advancing the foundational science and mathematics of inverse problems, enabling robust, scalable, and uncertainty-aware solutions that are critical for DOE applications.

97 MATHEMATICS AND COMPUTING↗

Pairwise‐Parallel Entangling Gates on Orthogonal Modes in a Trapped‐Ion Chain

Abstract Parallel operations are important for both near‐term quantum computers and larger‐scale fault‐tolerant machines because they reduce execution time and qubit idling. This study proposes and implements a pairwise‐parallel gate scheme on a trapped‐ion quantum computer. The gates are driven simultaneously on different sets of orthogonal motional modes of a trapped‐ion chain. This work demonstrates the utility of this scheme by creating a Greenberger‐Horne‐Zeilinger (GHZ) state in one step using parallel gates with one overlapping qubit. It also shows its advantage for circuits by implementing a digital quantum simulation of the dynamics of an interacting spin system, the transverse‐field Ising model. This method effectively extends the available gate depth by up to two times with no overhead when no overlapping qubit is involved, apart from additional initial cooling. This scheme can be easily applied to different trapped‐ion qubits and gate schemes, broadly enhancing the capabilities of trapped‐ion quantum computers.

Optics↗

Ancilla-entangling Floquet kicks for accelerating quantum algorithms

Quantum simulation with adiabatic annealing can provide insight into difficult problems that are impossible to study with classical computers. However, it deteriorates when the systems scale up due to the shrinkage of the excitation gap and thus places an annealing rate bottleneck for high success probability. Here, in this study, we accelerate quantum simulation using digital multiqubit gates that entangle primary system qubits with ancillary qubits. The practical benefits originate from tuning the ancillary gauge degrees of freedom to enhance the quantum algorithm's original functionality in the system registry. For simple but nontrivial short-ranged, infinite long-ranged transverse-field Ising models, and the hydrogen molecule model after qubit encoding, we show improvement in the time to solution by one hundred percent but with higher accuracy through exact state-vector numerical simulation in a digital-analog setting. The findings are further supported by time-averaged Hamiltonian theory.

97 MATHEMATICS AND COMPUTING↗

Image Processing Occupancy Sensor

The Image Processing Occupancy Sensor, or IPOS, is a novel sensor technology developed at the National Renewable Energy Laboratory (NREL). The sensor is based on low-cost embedded microprocessors widely used by the smartphone industry and leverages mature open-source computer vision software libraries. Compared to traditional passive infrared and ultrasonic-based motion sensors currently used for occupancy detection, IPOS has shown the potential for improved accuracy and a richer set of feedback signals for occupant-optimized lighting, daylighting, temperature setback, ventilation control, and other occupancy and location-based uses. Unlike traditional passive infrared (PIR) or ultrasonic occupancy sensors, which infer occupancy based only on motion, IPOS uses digital image-based analysis to detect and classify various aspects of occupancy, including the presence of occupants regardless of motion, their number, location, and activity levels of occupants, as well as the illuminance properties of the monitored space. The IPOS software leverages the recent availability of low-cost embedded computing platforms, computer vision software libraries, and camera elements.

Source record↗

Virtual Framework for Development and Testing of Federation Software Stack

Softwarization of networked infrastructures combined with containerization of codes promises unprecedented computing capabilities distributed across the federations of computing systems and physical instruments. The development and testing of a software stack that implements these capabilities over an expensive physical production infrastructure is not cost-effective, and in the early stages, may potentially cause service disruptions. To address these aspects, we develop the Virtual Federated Science Instrument Environment (VFSIE), a digital twin of the physical infrastructure that emulates a multi-site federation. Each federated site is emulated using containers and virtual hosts that are connected over local-area networks, and the sites, in turn, are connected over an emulated wide-area network. We describe the framework design and implementation details. We also illustrate its application by emulating a federation of four laboratories that use Jupyter Notebook for computations and the EPICS software system for instrument control.

Al Najjar, Anees↗

Detection of Diversion in a Realistic Heat Pipe Microreactor Using Supervised Machine Learning

Microreactors (MRs) pose new challenges for international safeguards. Here, their small size and mass reproducibility make them ideal for deployment in greater numbers and in remote locations, making the job of safeguards inspectors more challenging. Machine learning (ML) is currently being applied to many fields to augment human performance and increase automation; in particular, ML could be used to provide insight for international inspectors to help detect the diversion of nuclear fuel from MR cores. Four ML model types (k-nearest neighbors, decision tree, random forest, and histogram-based gradient boosted ensemble) were trained on integrated flux and critical control drum angle data generated with Serpent 2 for a realistic heat pipe MR design, achieving nearly 100% binary classification accuracy of nominal and diversion core configurations by the end of 1 full power year for three of the four model types. Regression model variants were also trained, using the same input data, for predicting the number of fuel pins diverted. Root-mean-square errors below 5% of the total number of fuel pins were achieved by the 1 full power year mark for all models.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

The use of subchondral bone topography to approximate the center of rotation of the elbow joint in dogs

Abstract Objectives The aim of this study was to compare the approximate center of rotation in normal and diseased elbows in dogs. Study design Cross‐sectional study Sample population Computer tomography scans of nine dogs with unilateral fragmented medial coronoid process (FMCP). Methods A board certified radiologist confirmed that each dog had unilateral FMCP, and a normal contralateral elbow. Digital 3D models of all elbow joints were uploaded into a surgical planning software package. Four axes approximating the center of rotation (COR) of elbow joints were generated using five geometric shapes based on subchondral topography of the humeral condyle radius and ulna. Images showing the locations where axes exited the medial and lateral cortex of the humeral condyle were captured and imported into a second software package, for measurement of distances between exit points and the origin of a system of axes. Results In normal joints 20/27 (74%) axes exited the medial cortex, and 25/27 (93%) axes exited the lateral cortex cranial and distal to the medial and lateral epicondyles, respectively. In diseased joints 22/27 (81%) axes exited medial cortex and 19/27 (70%) axes exited the lateral cortex, caudal and distal to the medial and lateral epicondyles, respectively. Conclusion Based on CT‐ derived geometry, the COR of elbow affected with FMCP was generally more caudal than normal. Clinical significance External landmarks approximating the location of the elbow COR are provided, and while not validated, may assist in planning, creation, and assessment of procedures for FMCP.

Berger, Chen↗

Human Factors Engineering Aspects of Modifications in Control Room Modernization

This report describes the basic aspects of control room modernization projects in the U.S. nuclear industry and the need for supplementary guidance on the integration of human factors considerations into the licensing and regulatory aspects of digital upgrades. The report pays specific attention to the integration of principles described in NUREG-0711 (Human Factors Engineering Program Review Model) and how supplementary guidance can help to raise general awareness in the industry regarding the complexities of control room modernization projects created by many interdependent regulations, standards and guidelines. The report also describes how human factors engineering principles and methods provided by various resources and international standards can help in navigating through the process of licensing digital upgrades. In particular, the integration of human factors engineering guidance and requirements into the process of licensing digital upgrades can help reduce uncertainty related to development of technical bases for digital upgrades that will avoid the introduction of new failure modes.

97 MATHEMATICS AND COMPUTING↗

The archives of the future

The term “artificial intelligence” (AI) - essentially programming machines to think like humans - conjures up different emotions in different people. Some view it with fear, imagining a malevolent AI similar to Skynet in the Terminator movies. Others see something benevolent, such as the character Data in Star Trek: The Next Generation . Still others see it as a means to advance the frontiers of science, engineering and technology to new levels not possible through traditional means. At the National Security Research Center (NSRC or the Center), which is the classified library at Los Alamos National Laboratory, we see AI as a tool to help us go through the monumental tasks we have in digitizing, cataloging, and searching our collections.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Viability of Data Analytics to Ascertain Component Performance for Additive Manufacturing

The Transformational Challenge Reactor (TCR) program is leveraging additive manufacturing (AM) technologies to produce multiple nuclear components to be assembled into a fully functional microreactor core. AM was selected as the main manufacturing technology for TCR because it has the potential to disrupt the nuclear industry on two fronts: (1) it enables the manufacturing of very complex geometries with optimized and tailored material properties for the intended use of the component, opening up new options for reactor designs, and (2) it allows for a better understanding of the manufacturing process through real-time in situ monitoring, data analytics, and artificial intelligence, which can lead to a streamlined qualification and certification process. Within TCR, the development and deployment of a digital platform aims at addressing the latter opportunity. As part of this effort, the collection of pedigree datasets is vital, should these data be generated before, during or after the manufacturing process. This report focuses on the development of data analytics tools enabling qualitative assessment of the manufacturing processes to automate the identification of flaws in in situ monitoring imagery and to correlate those flaws to the resulting mechanical testing data. Through examples, the report gives an overview of the data collected and presents a path forward for the digital platform.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗