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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 847 records · Page 47
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Reference Fuel Development for Non-Aluminum Spent Nuclear Fuel Management

The Savannah River Site (SRS) L Area Facility provides for the safe receipt, storage, handling, and shipping of spent nuclear fuel (SNF) and has received more than 47,000 SNF assemblies since 1964. In order to consolidate receipt and storage analysis, L Area criticality safety has historically used several aluminum-clad “reference fuels” to establish bounding storage, handling, and cask loading limits and then applied a reactivity comparison approach to demonstrate that candidate fuels may be processed under the reference fuel limits. Currently, only aluminum-clad SNF from off-site research reactors are transferred on-site. The Accelerated Basin De-Inventory (ABD) program will begin the removal of bundled Non-Aluminum Spent Nuclear Fuel (NASNF) from the L Area disassembly basin for dissolution and disposition, which has driven the need for a non-aluminum reference fuel. This paper discusses the process and results of creating a new fictional homogenous NASNF highly enriched uranium reference fuel, “MITZ,” to be used in nuclear criticality safety evaluations for upcoming SNF disposition operations. Data demonstrating the relationship between neutron multiplication behavior and fuel spacing is generated for the new reference fuel MITZ as well as existing reference fuels representing several types of SNF assemblies.

Reference Fuel↗
DOE OSTI2024

Manufactured solutions for an electromagnetic slot model

The accurate modeling of electromagnetic penetration is an important topic in computational electromagnetics. Electromagnetic penetration occurs through intentional or inadvertent openings in an otherwise closed electromagnetic scatterer, which prevent the contents from being fully shielded from external fields. To efficiently model electromagnetic penetration, aperture or slot models can be used with surface integral equations to solve Maxwell's equations. A necessary step towards establishing the credibility of these models is to assess the correctness of the implementation of the underlying numerical methods through code verification. Surface integral equations and slot models yield multiple interacting sources of numerical error and other challenges, which render traditional code-verification approaches ineffective. In this paper, we provide approaches to separately measure the numerical errors arising from these different error sources for the method-of-moments implementation of the electric-field integral equation with a slot model. Finally, we demonstrate the effectiveness of these approaches for a variety of cases.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

The DECOVALEX international collaboration on modeling of coupled subsurface processes and its contribution to confidence building in radioactive waste disposal

Abstract The long-lived radiotoxicity of the high-level radioactive waste generated by nuclear power plants requires safe isolation from the biosphere for many hundreds of thousands of years. An international consensus has emerged that such isolation can best be provided by disposal in mined geologic repositories, a strategy that today is pursued by most countries dealing with radioactive waste. However, the need to predict the performance of such repositories over very long time periods generates large uncertainties that have to be accounted for in safety assessments. The findings from such safety assessments need to be conveyed to all stakeholders in a clear way, such that public confidence in geologic disposal solutions can be achieved. It is suggested here that close international collaboration on the technical aspects of geologic waste disposal has helped, and will continue to help, building trust and increasing confidence. This paper discusses a particular international collaboration initiative referred to as DECOVALEX, which brings together multiple teams and disciplines to collectively tackle complex experimental and modeling challenges related to geologic disposal. By describing how DECOVALEX works and by providing joint research examples, a case is made that such international collaboration contributes to knowledge transfer and confidence building in radioactive waste disposal science.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Optimizing design and dispatch of a resilient renewable energy microgrid for a South African hospital

Lack of access to reliable energy is a major concern for countries in sub-Saharan Africa. The national grids are unable to consistently satisfy demand. Therefore, users turn to distributed generation systems in the form of back-up generators. However, such systems are usually designed based on a rule of thumb. We employ a mixed-integer linear programming model that considers several options such as renewable energy, combined heat and power, and storage technologies, in addition to those on-site, to provide optimal design and dispatch decisions that minimize total cost. We apply this model to a case study for a hospital in South Africa, considering its need for reliable electricity in light of multiple outages that might occur over the course of a year, as well as its high heating and cooling loads. Our results show that optimal design and dispatch decisions for the distributed generation system address reliability challenges, regardless of the time at which they occur. And, these solutions yield millions of dollars in savings, suggesting that technologies such as the absorption chiller may be overlooked in typical designs; its integration can reduce demand charges even in the absence of combined heat and power. We show that total cost is most sensitive to changes in site electrical demand, followed by capital cost, fuel cost, photovoltaic production, and monthly demand charges; changes in fuel cost primarily affect system sizes of combined heat and power and the absorption chiller, while photovoltaic system size is more sensitive to the changes in capital and fuel costs, photovoltaic resource availability, and hourly electrical demand. Finally, an outage simulator demonstrates the ability of our optimized system to sustain with no interruptions in power five-hour outages with probability 1.0 and ten-hour outages with probability 0.65, significant improvements over 0.5 and 0.0, respectively, under a business-as-usual case.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Effect of coaxial nozzle wear on catchment efficiency in direct energy deposition built components

Laser based Direct Energy Deposition (DED) systems using metallic powder feedstock are recognized as a promising manufacturing method for their ability to shorten production cycles and create complex part geometries. Components are built by generating a melt pool with a high-power laser beam while material is coaxially injected and left to solidify. An impediment to large scale use of DED lies in poor powder catchment efficiency, the condition in which a portion of injected powder escapes the melt pool resulting in a ratio of decreased printed material mass to mass of supplied feedstock. The wear state of a coaxial nozzle on a DED system within a hybrid manufacturing machine tool has been observed to decrease catchment efficiency over time. Herein this study investigates this effect by adapting flow visualization techniques to an in-situ process monitoring format, the implementation of a Computational Fluid Dynamics (CFD) simulation, and deposition testing. Nozzle geometric defects due to wear are identified and categorized, and the impact of nozzle tip wear, resulting in axial tip reduction, on powder catchment efficiency is proven by multiple calculation methods. A linear correlation between catchment efficiency and powder stream diameter is identified, causing a 15–20% loss in efficiency sustained over incremental nozzle tip reduction up to − 1 mm. These results provide a foundation for further study of wear effects and Zero defect manufacturing solutions for powder fed DED systems.

42 ENGINEERING↗
DOE OSTI2023

Closing in on Hydrologic Predictive Accuracy: Combining the Strengths of High-Fidelity and Physics-Agnostic Models

Applications of process-based models (PBM) for predictions are confounded by multiple uncertainties and computational burdens, resulting in appreciable errors. A novel modeling framework combining a high-fidelity PBM with surrogate and machine learning (ML) models is developed to tackle these challenges and applied for streamflow prediction. A surrogate model permits high computational efficiency of a PBM solution at a minimum loss of its accuracy. A novel probabilistic ML model partitions the PBM-surrogate prediction errors into reducible and irreducible types, quantifying their distributions that arise due to both explicitly perceived uncertainties (such as parametric) or those that are entirely hidden to the modeler (not included or unexpected). Using this approach, we demonstrate a substantial improvement of streamflow predictive accuracy for a case study urbanized watershed. Such a framework provides an efficient solution combining the strengths of high-fidelity and physics-agnostic models for a wide range of prediction problems in geosciences.

58 GEOSCIENCES↗
DOE OSTI2023

Atomic protein structure refinement using all-atom graph representations and SE(3)-equivariant graph transformer

Abstract Motivation The state-of-art protein structure prediction methods such as AlphaFold are being widely used to predict structures of uncharacterized proteins in biomedical research. There is a significant need to further improve the quality and nativeness of the predicted structures to enhance their usability. In this work, we develop ATOMRefine, a deep learning-based, end-to-end, all-atom protein structural model refinement method. It uses a SE(3)-equivariant graph transformer network to directly refine protein atomic coordinates in a predicted tertiary structure represented as a molecular graph. Results The method is first trained and tested on the structural models in AlphaFoldDB whose experimental structures are known, and then blindly tested on 69 CASP14 regular targets and 7 CASP14 refinement targets. ATOMRefine improves the quality of both backbone atoms and all-atom conformation of the initial structural models generated by AlphaFold. It also performs better than two state-of-the-art refinement methods in multiple evaluation metrics including an all-atom model quality score—the MolProbity score based on the analysis of all-atom contacts, bond length, atom clashes, torsion angles, and side-chain rotamers. As ATOMRefine can refine a protein structure quickly, it provides a viable, fast solution for improving protein geometry and fixing structural errors of predicted structures through direct coordinate refinement. Availability and implementation The source code of ATOMRefine is available in the GitHub repository (https://github.com/BioinfoMachineLearning/ATOMRefine). All the required data for training and testing are available at https://doi.org/10.5281/zenodo.6944368.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Graph neural network for neutrino physics event reconstruction

Liquid argon time projection chamber (LArTPC) detector technology offers a wealth of high-resolution information on particle interactions, and leveraging that information to its full potential requires sophisticated automated reconstruction techniques. Here, this article describes NUGRAPH 2, a graph neural network for low-level reconstruction of simulated neutrino interactions in a LArTPC detector. Simulated neutrino interactions in the MicroBooNE detector geometry are described as heterogeneous graphs, with energy depositions on each detector plane forming nodes on planar subgraphs. The network utilizes a multihead attention message-passing mechanism to perform background filtering and semantic labeling on these graph nodes, identifying those associated with the primary physics interaction with 98.0% efficiency and labeling them according to particle type with 94.9% efficiency. The network operates directly on detector observables across multiple two-dimensional representations but utilizes a three-dimensional-context-aware mechanism to encourage consistency between these representations. Model inference takes 0.12 s / event on a CPU and 0.005 s / event batched on a GPU. This architecture is designed to be a general-purpose solution for particle reconstruction in neutrino physics, with the potential for deployment across a broad range of detector technologies, and offers a core convolution engine that can be leveraged for a variety of tasks beyond the two described in this paper.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Distribution Feeder-Scale Fast Frequency Response via Optimal Coordination of Net-load Resources Part I: Solution Design

This work is the first of a two-part series that develops and experimentally demonstrates a first-of-its-kind hierarchical control solution for optimally dispatching thousands of deferrable loads and distributed energy resources (DERs) across a distribution feeder to provide fast frequency response (FFR) within 500 ms to the bulk power system. This approach rapidly coordinates resources online after a frequency event occurs, allowing fast-changing, behind-the-meter (BTM) resources to be incorporated and aggregate FFR power set points to be achieved more quickly and accurately than existing approaches. We also present a solution for determining the optimal amount of headroom to operate solar inverters with to minimize opportunity cost while ensuring the FFR response viability of a building with the inverter and deferrable loads. In Part I, we develop practical algorithms for fast, cost-based optimal dispatch at multiple aggregation scales (single building, multiple buildings, and full distribution feeder), establish their optimality, and demonstrate via simulation that they are faster than state-of-the-art, coordinated frequency response approaches. In Part II, the entire platform is implemented and experimentally verified using a unique power hardware-in-the-loop demonstration, including more than 100 powered loads and DERs connected to a real-world distribution network model and over 10,000 net-load resources dispatched.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Towards a more general understanding of the algorithmic utility of recurrent connections

Lateral and recurrent connections are ubiquitous in biological neural circuits. Yet while the strong computational abilities of feedforward networks have been extensively studied, our understanding of the role and advantages of recurrent computations that might explain their prevalence remains an important open challenge. Foundational studies by Minsky and Roelfsema argued that computations that require propagation of global information for local computation to take place would particularly benefit from the sequential, parallel nature of processing in recurrent networks. Such “tag propagation” algorithms perform repeated, local propagation of information and were originally introduced in the context of detecting connectedness, a task that is challenging for feedforward networks. Here, we advance the understanding of the utility of lateral and recurrent computation by first performing a large-scale empirical study of neural architectures for the computation of connectedness to explore feedforward solutions more fully and establish robustly the importance of recurrent architectures. In addition, we highlight a tradeoff between computation time and performance and construct hybrid feedforward/recurrent models that perform well even in the presence of varying computational time limitations. We then generalize tag propagation architectures to propagating multiple interacting tags and demonstrate that these are efficient computational substrates for more general computations of connectedness by introducing and solving an abstracted biologically inspired decision-making task. Our work thus clarifies and expands the set of computational tasks that can be solved efficiently by recurrent computation, yielding hypotheses for structure in population activity that may be present in such tasks.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

The Stochastic Gause Predator-Prey model: Noise-induced extinctions and invariance

We consider the Gause predator-prey with general bounded or sub‑linear functional responses, – which includes those of Holling types Ⅰ–Ⅳ. – and multiplicative Gaussian noise. In contrast to previous studies, the prey in our model follows logistic dynamics while the predator's population is solely regulated by consumption of the prey. To ensure well-posedeness, we derive explicit Lyapunov‐type criteria ensuring global positivity and moment boundedness of solutions. We find conditions for noise‑induced extinctions, proving that stochasticity can drive either population to collapse even when the deterministic analogue predicts stable coexistence. In the case when the predator becomes extinct, we establish a limiting distribution for the predator's population. Last, for functional responses of Holling type Ⅰ, we provide sufficient conditions on the intensity of the noise for the existence and uniqueness of a stationary distribution.

Gause model↗
DOE OSTI2020

Novel Geometric Operations for Linear Programming

This report summarizes the work performed under the project "Linear Programming in Strongly Polynomial Time." Linear programming (LP) is a classic combinatorial optimization problem heavily used directly and as an enabling subroutine in integer programming (IP). Specifically IP is the same as LP except that some solution variables must take integer values (e.g. to represent yes/no decisions). Together LP and IP have many applications in resource allocation including general logistics, and infrastructure design and vulnerability analysis. The project was motivated by the PI's recent success developing methods to efficiently sample Voronoi vertices (essentially finding nearest neighbors in high-dimensional point sets) in arbitrary dimension. His method seems applicable to exploring the high-dimensional convex feasible space of an LP problem. Although the project did not provably find a strongly-polynomial algorithm, it explored multiple algorithm classes. The new medial simplex algorithms may still lead to solvers with improved provable complexity. We describe medial simplex algorithms and some relevant structural/complexity results. We also designed a novel parallel LP algorithm based on our geometric insights and implemented it in the Spoke-LP code. A major part of the computational step is many independent vector dot products. Our parallel algorithm distributes the problem constraints across processors. Current commercial and high-quality free LP solvers require all problem details to fit onto a single processor or multicore. Our new algorithm might enable the solution of problems too large for any current LP solvers. We describe our new algorithm, give preliminary proof-of-concept experiments, and describe a new generator for arbitrarily large LP instances.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

A modified model parametrization algorithm for solving a special type of heat and mass transfer systems

A new method for solving nonlinear heat and mass transfer design tasks was considered. Systems using the Number of Transfer Units (NTU) method are a special type of mathematical model of heat and mass exchangers. It was observed, that the NTU models in a form of differential-algebraic equations (DAEs) cannot be directly solved with higher values of NTU. The requirements for consistent initial conditions, as well as numerical limitations of DAEs solvers, result, that the solution to the considered design problems that cannot be obtained by a classical direct shooting procedure. To overcome the presented difficulties, the αDAE model optimization algorithm was adjusted for solving NTU-based models. The new approach consists of 3 main steps: 1) task discretization by a multiple-shooting approach, 2) design an appropriate function $f_{NTU}$(α) to effectively influence the variability of the state variables described by dynamical relations, 3) the iterative numerical optimization algorithm for the new parametrized system. Moreover, computations can be performed by a chosen numerical optimization approach, which can be communicated with an available outer procedure for solving differential-algebraic equations. The presented algorithm was implemented and applied to solve the design task with the NTU model of a counter-flow exchanger. Here, the new approach was used to modify the system dynamics to influence the difficulty of the considered problem. Finally, the presented method enabled failure-free numerical computations for the higher values of the NTU parameter.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Multi‐Sensor Trajectory Reconstruction of the 24 April 2025 Alaska Fireball and Implications for Planetary Defense

On 24 April 2025 at 18:30:57 UTC, a bright daytime fireball over Southcentral Alaska was detected by 37 seismic stations, 16 single infrasound sensors, and four infrasound arrays, yielding 30 ballistic and multiple fragmentation arrivals. Here, the unprecedented density of seismoacoustic coverage enabled detailed reconstruction of the event using acoustic signals, with fragmentation source locations further guiding the identification of Doppler weather radar signatures of a meteorite fall. Incorporation of a radar-derived terminal point yielded a final trajectory solution, which agreed closely with an independent optical trajectory solution from video analysis. The reconstructed entry parameters from seismoacoustic analysis indicate a velocity of 25.3 km/s, an entry angle of 19°, and an energy release of ∼38 t TNT equivalent. Assuming a chondritic composition, the pre-entry object diameter was ∼0.7 m. Using orbital parameters from the optical solution, we estimate meteoroid composition as most likely an L-type ordinary chondrite. The event occurred in the sub-Arctic, where space-based optical systems face challenges in detection, demonstrating the critical role of dense ground-based seismoacoustic networks in characterizing high-latitude atmospheric entries. This uniquely well-recorded event demonstrates the capability of dense seismoacoustic networks to constrain bolide trajectories, energetics, and fragmentation, with radar and optical data providing critical confirmation and complementary perspectives. These results bridge the methodological gap between planetary-defense monitoring of natural impactors and space-traffic analyses of artificial reentries, illustrating how multi-sensor integration can deliver calibration-grade trajectories even for unpredicted events.

Fireball↗
DOE OSTI2024

Targeted materials discovery using Bayesian algorithm execution

Rapid discovery and synthesis of future materials requires intelligent data acquisition strategies to navigate large design spaces. A popular strategy is Bayesian optimization, which aims to find candidates that maximize material properties; however, materials design often requires finding specific subsets of the design space which meet more complex or specialized goals. We present a framework that captures experimental goals through straightforward user-defined filtering algorithms. These algorithms are automatically translated into one of three intelligent, parameter-free, sequential data collection strategies (SwitchBAX, InfoBAX, and MeanBAX), bypassing the time-consuming and difficult process of task-specific acquisition function design. Our framework is tailored for typical discrete search spaces involving multiple measured physical properties and short time-horizon decision making. We demonstrate this approach on datasets for TiO 2 nanoparticle synthesis and magnetic materials characterization, and show that our methods are significantly more efficient than state-of-the-art approaches. Overall, our framework provides a practical solution for navigating the complexities of materials design, and helps lay groundwork for the accelerated development of advanced materials.

42 ENGINEERING↗
DOE OSTI2026

Improvements in optical metrology for high-performance variable-line-spacing x-ray gratings

Here, we discuss a project to develop a precision metrology system for variable-line-spacing x-ray gratings using interferometric microscopes. We are developing test standards and calibration techniques to measure and correct for geometrical distortion and blur, and data processing techniques to combine multiple measurements and measure line spacing with high accuracy.

Calibration methods↗
DOE OSTI2024

CMOS-Based Single-Cycle in-Memory XOR/XNOR

Big data applications are on the rise, and so is the number of data centers. The ever-increasing massive data pool needs to be periodically backed up in a secure environment. Moreover, a massive amount of securely backed-up data is required for training binary convolutional neural networks for image classification. XOR and XNOR operations are essential for large-scale data copy verification, encryption, and classification algorithms. The disproportionate speed of existing compute and memory units makes the von Neumann architecture inefficient to perform these Boolean operations. Compute-in-memory (CiM) has proved to be an optimum approach for such bulk computations. The existing CiM-based XOR/XNOR techniques either require multiple cycles for computing or add to the complexity of the fabrication process. Here, we propose a CMOS-based hardware topology for single-cycle in-memory XOR/XNOR operations. Our design provides at least 2× improvement in the latency compared with other existing CMOS-compatible solutions. We verify the proposed system through circuit/system-level simulations and evaluate its robustness using a 5000-point Monte Carlo variation analysis. This all-CMOS design paves the way for practical implementation of CiM XOR/XNOR at scaled technology nodes.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Quantifying Energy Storage Density Utilization Trends in Redox Flow Battery Chemistries

The transition to new energy resources is driving the need for efficient energy storage. Redox flow batteries (RFBs) are a promising solution due to their flexible design and safer materials, particularly for long-duration storage applications. Despite these advantages, RFB technologies still have considerable room for growth in terms of utilizing all of their available energy storage density. Herein, we assess RFB energy storage density utilization trends for multiple chemistries by accounting for their unique thermodynamic limits, energy efficiencies, and charge capacity constraints. Of the RFBs chemistries analyzed, most still use less than 60% of their theoretical energy storage capacity. The conventional all-vanadium RFB was the closest to its thermodynamic limit available. Moreover, the volumetric footprint and electrolyte cost analyses demonstrate the real-world implications of these inefficiencies. This analysis further indicates that future studies would benefit from clearer reporting of two key quantities: discharge efficiency, which is more directly tied to practically recoverable energy density than round-trip energy efficiency, and state-of-charge or capacity-utilization limits, which govern access to theoretical storage capacity. More consistent reporting of these factors would improve the accuracy and comparability of energy storage utilization analyses across RFB chemistries.

battery energy storage↗