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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 1,585 records · Page 88
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Unsupervised classification-based hyperspectral data processing: lossy compression

The existing lossy compression algorithms play an important role in reducing the cost of storage equipment and bandwidth for hyperspectral (HS) application. However, none of the lossy compression algorithms considers the real-time classification of HS data. In this paper, we present a new lossy compression method for HS data that aims to optimally compress in both spatial and spectral domains and simultaneously maximize classification performance. For this target, Harsanyi–Farrand–Chang (HFC) and k-means++ algorithms are applied to achieve a spectral library and an index matrix for HS image. Spectral angle mapping and Euclidean distance are used to update the spectral library and the index matrix. The experiment results indicate that the proposed method has a good classification performance. The results also reveal that the proposed method works well in real-time classification and compression of HS data with a large volume and achieves a high compression ratio. It is noteworthy to mention that the superiority of our method in compression becomes more apparent as the volume of HS data grows. Consequently, the proposed method has a strong advantage in HS applications that require both compression and classification.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

VERA Core Simulator methodology for pressurized water reactor cycle depletion

This paper describes the methodology developed and implemented in the Virtual Environment for Reactor Applications Core Simulator (VERA-CS) to perform high-fidelity, pressurized water reactor (PWR), multicycle, core physics calculations. Depletion of the core with pin-resolved power and nuclide detail is a significant advance in the state of the art for reactor analysis, providing the level of detail necessary to address the problems of the U.S. Department of Energy Nuclear Reactor Simulation Hub, the Consortium for Advanced Simulation of Light Water Reactors (CASL). VERA-CS has three main components: the neutronics solver MPACT, the thermal-hydraulic (T-H) solver COBRA-TF (CTF), and the nuclide transmutation solver ORIGEN. This paper focuses on MPACT and provides an overview of the resonance self-shielding methods, macroscopic-cross-section calculation, two-dimensional/one-dimensional (2-D/1-D) transport, nuclide depletion, T-H feedback, and other supporting methods representing a minimal set of the capabilities needed to simulate high-fidelity models of a commercial nuclear reactor. Results are presented from the simulation of a model of the first cycle of Watts Bar Unit 1. The simulation is within 16 parts per million boron (ppmB) reactivity for all state points compared to cycle measurements, with an average reactivity bias of <5 ppmB for the entire cycle. Comparisons to cycle 1 flux map data are also provided, and the average 2-D root-mean-square (rms) error during cycle 1 is 1.07%. To demonstrate the multicycle capability, a state point at beginning of cycle (BOC) 2 was also simulated and compared to plant data. The comparison of the cycle 2 BOC state has a reactivity difference of +3 ppmB from measurement, and the 2-D rms of the comparison in the flux maps is 1.77%. Lastly, these results provide confidence in VERA-CS’s capability to perform high-fidelity calculations for practical PWR reactor problems.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2020

A priori analysis on deep learning of subgrid-scale parameterizations for Kraichnan turbulence

In the present study, we investigate different data-driven parameterizations for large eddy simulation of two-dimensional turbulence in the a priori settings. These models utilize resolved flow field variables on the coarser grid to estimate the subgrid-scale stresses. We use data-driven closure models based on localized learning that employs a multilayer feedforward artificial neural network with point-to-point mapping and neighboring stencil data mapping, and convolutional neural network fed by data snapshots of the whole domain. The performance of these data-driven closure models is measured through a probability density function and is compared with the dynamic Smagorinksy model (DSM). The quantitative performance is evaluated using the cross-correlation coefficient between the true and predicted stresses. We analyze different frameworks in terms of the amount of training data, selection of input and output features, their characteristics in modeling with accuracy, and training and deployment computational time. We also demonstrate computational gain that can be achieved using the intelligent eddy viscosity model that learns eddy viscosity computed by the DSM instead of subgrid-scale stresses. Here, we detail the hyperparameters optimization of these models using the grid search algorithm.

42 ENGINEERING↗
DOE OSTI2021

Poisson’s ratio of eTPU molded bead foams in compression via in situ synchrotron X-ray microtomography

In situ synchrotron X-ray microtomography was used to characterize the bulk deformation behavior by computing the Poisson's ratio of expanded thermoplastic polyurethane (eTPU) molded bead foams used in footwear midsole during compression. Quantitative data on morphological characteristics were obtained using an iterative image processing workflow. Image correlation on the 4D datasets using DVC was performed to calculate the volumetric and axial strain to estimate the Poisson ratio. Strain maps from DVC showed the influence of variability in ligament thickness distribution on the global mechanical behavior exhibited which dominated the response seen in these bead foams. Lastly, our results showed a strong correlation between Poisson ratio and distribution of ligament thickness in foams.

36 MATERIALS SCIENCE↗
DOE OSTI2019

A Systematic Assessment of Various Stability/Instability Criteria in Predicting the Hot Deformation-Related Instabilities in Super-304H Stainless Steels

In this study, different existing stability/instability criteria (viz Prasad, Murty, Gegel, Alexander, Jonas, and Semiatin) are used to characterize the hot deformation instabilities of super-304H stainless steel. The instability maps are developed based on flow stress data acquired from uniaxial hot compression tests performed at various temperatures (1173-1423 K) and strain rates (0.001-10 s{sup −1}). The deformation instabilities are further validated through detailed microstructural observations. Flow localization and cracking have been identified as the signature of deformation instabilities in this alloy. The microcracks have been found to be associated with the grain boundary precipitation of coarse (~ 1- to 5-µm-sized) Nb-rich particles (mainly NbC). The instability criteria developed based on dynamic material modeling (i.e., Prasad’s and Murty’s criteria) could accurately predict the formation of microcracks in the entire hot deformation range employed in this study. Albeit the Gegel’s and Alexander’s stability criteria could correctly predict the flow localization, it has overestimated the deformation instabilities at high temperatures (> 1250 K) and low strain rates (≤ 0.1 s{sup −1}). In contrast, Jonas’ and Semiatin’s instability criteria have under-predicted the unstable domains in the studied alloy.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Denoising diffusion algorithm for inverse design of microstructures with fine-tuned nonlinear material properties

Here we introduce a denoising diffusion algorithm to discover microstructures with nonlinear fine-tuned properties. Denoising diffusion probabilistic models are generative models that use diffusion-based dynamics to gradually denoise images and generate realistic synthetic samples. By learning the reverse of a Markov diffusion process, we design an artificial intelligence to efficiently manipulate the topology of microstructures to generate a massive number of prototypes that exhibit constitutive responses sufficiently close to designated nonlinear constitutive behaviors. To identify the subset of microcstructures with sufficiently precise fine-tuned properties, a convolutional neural network surrogate is trained to replace high-fidelity finite element simulations to filter out prototypes outside the admissible range. Results of this study indicate that the denoising diffusion process is capable of creating microstructures of fine-tuned nonlinear material properties within the latent space of the training data. More importantly, this denoising diffusion algorithm can be easily extended to incorporate additional topological and geometric modifications by introducing high-dimensional structures embedded in the latent space. Numerical experiments are conducted on the open-source mechanical MNIST data set (Lejeune, 2020). Consequently, this algorithm is not only capable of performing inverse design of nonlinear effective media, but also learns the nonlinear structure–property map to quantitatively understand the multiscale interplay among the geometry, topology, and their effective macroscopic properties.

42 ENGINEERING↗
DOE OSTI2025

Energy innovation in the US buildings sector: Setting the stage and mapping the future

Jared Langevin is a staff scientist at Lawrence Berkeley National Laboratory, where he leads modeling of US buildings sector innovation and its implications for energy demand, consumer costs, and the power grid. Eric Wilson is a senior research engineer in the Building Technologies and Sciences Center at the National Renewable Energy Laboratory (NREL). Much of his 15-year career at NREL has revolved around modeling and analysis of the US building stock. Jared and Eric co-led the development of a National Blueprint for buildings sector innovation while serving as advisors to the US Department of Energy’s Deputy Assistant Secretary for Buildings and Industry.

Langevin, Jared↗
DOE OSTI2017

Collimated thermal radiation transfer via half Maxwell's fish-eye lens for thermophotovoltaics

Thermophotovoltaics (TPV) convert heat into electricity by capturing thermal radiation with a photovoltaic (PV) cell, ideally at efficiencies of 50% or more. However, excess heating of the PV cell from close proximity to the emitter substantially reduces the system efficiency. In this paper, we theoretically develop and numerically demonstrate an approach to fundamentally improving TPV systems that allow for a much greater separation of an emitter and a receiver. Thus, we solve the excess heating dilemma, required for achieving theoretically high efficiencies. It consists of a spherically graded index lens known as Maxwell's Fish-Eye (MFE) structure, capable of collimating hemispherical emission into a much narrower range of angles, close to the normal direction. To fully characterize the power radiation profile of the MFE, we perform finite-difference time-domain simulations for a quarter MFE and then map it onto a Gaussian beam approximation. The modeled beam properties are subsequently used to study a half MFE. In an optimized half MFE design, 90% of all thermal photons reach a receiver at a distance of 100 λ; by comparison, only 15.6% of a blackbody emitter reach a receiver in the same geometry. It is also shown that the emission achieved by a half MFE can lead to a photon recycling rate above 95% for below bandgap photons at an emitter-receiver separation of 100 λ. Finally, by applying a half MFE, the absolute TPV efficiency can be improved from 5.74% to 37.15%, which represents a significant step forward in realizing high-efficiency TPV systems.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2019

Knight Shift and Leading Superconducting Instability from Spin Fluctuations in Sr 2 RuO 4

We report that recent nuclear magnetic resonance studies [A. Pustogow et al. , Nature 574, 72 (2019)] have challenged the prevalent chiral triplet pairing scenario proposed for Sr 2 RuO 4 . To provide guidance from microscopic theory as to which other pair states might be compatible with the new data, we perform a detailed theoretical study of spin fluctuation mediated pairing for this compound. We map out the phase diagram as a function of spin-orbit coupling, interaction parameters, and band structure properties over physically reasonable ranges, comparing when possible with photoemission and inelastic neutron scattering data information. We find that even-parity pseudospin singlet solutions dominate large regions of the phase diagram, but in certain regimes spin-orbit coupling favors a near-nodal odd-parity triplet superconducting state, which is either helical or chiral depending on the proximity of the γ band to the van Hove points. A surprising near degeneracy of the nodal s ' and d x 2 - y 2 wave solutions leads to the possibility of a near-nodal time-reversal symmetry broken s ' + i d x 2 - y 2 pair state. Lastly, predictions for the temperature dependence of the Knight shift for fields in and out of plane are presented for all states.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Introducing a multiscale feature integration network for inpainting with applications to enhanced CMB map reconstruction

We introduce a novel neural network, SkyReconNet, which combines the expanded receptive fields of dilated convolutional layers along with standard convolutions, to capture both the global and local features for reconstructing the missing information in an image. We implement our network to inpaint the masked regions in a full-sky cosmic microwave background (CMB) map. Inpainting CMB maps is a particularly formidable challenge when dealing with extensive and irregular masks, such as galactic masks which can obscure substantial fractions of the sky. The hybrid design of SkyReconNet leverages the strengths of standard and dilated convolutions to accurately predict CMB fluctuations in the masked regions by effectively utilizing the information from surrounding unmasked areas. During training, the network optimizes its weights by minimizing a composite loss function that combines the structural similarity index measure (SSIM) and mean squared error (MSE). SSIM preserves the essential structural features of the CMB, ensuring an accurate and coherent reconstruction of the missing CMB fluctuations, while MSE minimizes the pixelwise deviations, thus enhancing the overall accuracy of the predictions. The predicted CMB maps and their corresponding angular power spectra align closely with the targets, achieving the performance limited only by the fundamental uncertainty of cosmic variance. The network’s generic architecture enables application to other physics-based challenges involving data with missing or defective pixels, systematic artifacts, etc. In conclusion, our results demonstrate its effectiveness in addressing the challenges posed by large irregular masks, offering a significant inpainting tool not only for CMB analyses but also for image-based experiments across disciplines where such data imperfections are prevalent.

Cosmic microwave background↗
DOE OSTI2025

Adaptive Graph Learning with Transformer for Multi-Reservoir Inflow Prediction

Reservoir inflow prediction is crucial for water resource management, yet existing approaches mainly focus on single-reservoir models that ignore spatial dependencies among interconnected reservoirs. We introduce AdaTrip as an adaptive, time-varying graph learning framework for multi-reservoir inflow forecasting. AdaTrip constructs dynamic graphs where reservoirs are nodes with directed edges reflecting hydrological connections, employing attention mechanisms to automatically identify crucial spatial and temporal dependencies. Evaluation on thirty reservoirs in the Upper Colorado River Basin demonstrates superiority over existing baselines, with improved performance for reservoirs with limited records through parameter sharing. Additionally, AdaTrip provides interpretable attention maps at edge and time-step levels, offering insights into hydrological controls to support operational decision-making. Our code is available at https://github.com/humphreyhuu/AdaTrip.

Hu, Pengfei [ORNL] (ORCID:0009000367130950)↗
DOE OSTI2018

Moving Beyond p-Type mc-Si: Quantified Measurements of Iron Content and Lifetime of Iron-Rich Precipitates in n-Type Silicon

N-type multicrystalline silicon (mc-Si) is a promising alternative to the dominant p-type mc-Si for solar cells because it combines the cost advantages of mc-Si while benefiting from higher tolerance to transition metal contamination. A detailed understanding of the relative roles of point defect and precipitated transition metals has enabled advanced processing and high minority carrier lifetimes in p-type mc-Si. This contribution extends that fundamental understanding to Fe contamination in n-type mc-Si, helping enable processing of this material into an economical and high-performance photovoltaic device. Finally, by directly correlating micro-photoluminescence-based minority carrier lifetime mapping and synchrotron-based micro-X-ray fluorescence mapping of Fe-rich precipitates, we develop a quantitative, physical understanding of the recombination activity of Fe-rich precipitates in n-type mc-Si.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Scalability Analysis of Quantum Models for Stress and Emotion Detection

Stress and emotion detection from high-dimensional physiological signals is a challenging task, particularly when aiming for accurate classification across diverse behavioral states. Quantum machine learning (QML) is promising for modeling such high-dimensional data, but scalability is limited by qubit resources and the exponential cost of classical statevector simulation. This work studies the scalability of quantum support vector machines (QSVMs) for binary stress detection and three-class emotion recognition (Negative/Neutral/Positive) under varying qubit counts and angle-encoding strategies. We also present a comparison study with one-feature-per-qubit (1:1) and two-features-per-qubit (2:1) mappings. Experiments are executed on HPC infrastructure using NVIDIA CUDA-Q to evaluate performance, variance, and class-dependent separability at higher-qubit setups. Results show that larger Hilbert spaces can improve peak accuracy but may increase instability. At the same time, dense 2:1 encoding yields more consistent stress detection performance. For emotion recognition, scaling improves discrimination for classes like Negative and Positive more than Neutral. We find that effective QML scaling is task-dependent and benefits more from encoding design than simply increasing qubit count.

Onim, Md. Saif Hassan [University of Tennessee, Kn↗
DOE OSTI2026

Cyote-attack Chain Estimator

Attack Chain Estimator (ACE) Application Overview The Attack Chain Estimator (ACE) Application is a sophisticated tool designed for the ingestion, classification, sequencing, and enrichment of cybersecurity threat reports. This application leverages advanced machine learning models and extensive historical data to provide comprehensive insights into cyber threats, specifically targeting Industrial Control Systems (ICS). Purpose The primary functions of the ACE Application include: Ingestion of Cybersecurity Threat Reporting: Capable of ingesting text-based threat reports in markdown or text file format. Supports ingestion of structured data from other sources in STIX/JSON format. Classification of Report’s Text-Based Events: Utilizes a DeBERTa classifier, specifically trained on cybersecurity data, to map the events to MITRE ATT&CK for ICS Tactics and Techniques. Classification is performed using multiple Jupyter notebooks and machine learning workflows hosted as FastAPI microservices: regex_data deberta_base_35_train_hft_classifier_mlflow.ipynb hft_regex_classifier_mlflow.ipynb param_train_hft_classifier_mlflow.ipynb regex_tactic_tech.ipynb Ordering of Tactics, Techniques, and Observable Events: Sequences the identified tactics, techniques, and events to form a coherent attack chain. Enrichment with Historical Attack Chain Details: Enhances the attack chain with details from historical attacks using a Markov model developed from CyOTE Precursor Analysis Report data. The Markov model is available as a FastAPI endpoint for seamless integration. Enrichment with Adversary Emulation Capabilities Data: Integrates adversary emulation capabilities data using MITRE Caldera for OT adversary abilities UUIDs. Export of Output Files: Provides options to export the enriched attack chain in JSON or CSV formats. Routing of Output to Other Applications: Facilitates routing of output to various platforms and applications, including: Threat Intelligence Platforms COREII Scout for Threat Intelligence Analysis COREII Modeling and Simulation for Adversary Emulation Technical Description The ACE Application is an advanced cybersecurity tool designed to provide detailed threat analysis and sequence generation. It is built on a robust architecture that integrates natural language processing, machine learning, and historical data modeling. Key Components: Data Ingestion Module: Handles the input of threat reports and data from various formats, ensuring flexibility in data sources. Classification Engine: Employs DeBERTa-based classifiers hosted as FastAPI microservices to analyze and classify threat report events in accordance with the MITRE ATT&CK framework for ICS. Sequence Generator: Orders the classified events into a logical attack chain, providing clear insight into the sequence of tactics and techniques used in the threat. Enrichment Engine: Integrates historical data and adversary emulation capabilities to enhance the attack chain with valuable context and additional details. The historical data enrichment is powered by a Markov model, which is available as a FastAPI endpoint. Export and Routing Module: Facilitates the export of the enriched attack chain in multiple formats and routes the output to designated applications for further analysis or emulation.

Paul, Tony [Idaho National Laboratory (INL), Idaho↗
DOE OSTI2022

Computational Fluid Dynamics Simulations to Predict Oxidation in Heat Recovery Steam Generator Tubes

Heat Recovery Steam Generators (HRSGs) are widely used across United States in combined cycle power plants to recover waste heat from the gas turbine (GT). HRSGs are used either to generate electricity or to produce process steam for industrial applications. The primary components of HRSG consists of a duct and a heat exchanger (HX). It is known across the power industry that the high temperature oxidation and ensuing exfoliation problem is a major cause for the damage of HX materials of HRSG. Alloys and/or coatings that can prevent or mitigate oxidation are very expensive, therefore they must be used or applied on the select regions of the HX tubes where the tendency of oxide formation is the highest. The main goal of this project is to identify such regions through Computational Fluid Dynamics (CFD) simulations. Therefore, in this work, we developed a CFD framework using commercial code StarCCM+ for the prediction of the fluid flow and heat transfer in a HRSG and associated oxidation inside the tubes of the HX. The developed CFD framework was verified and validated with experimental data before deployment. We also developed an innovative method to model the effect of the fins on the heat transfer and the pressure drop using a porous media model (PMM) approach to keep the mesh size within reasonable limits. After validation, we performed high-fidelity CFD simulations of a real-scale HRSG using the PMM, with High Performance Computing (HPC) resources of ORNL. From the simulation results, we acquired oxide thickness maps for all the tubes of the select HX sections of HRSG prone to oxidation. These oxide maps can inform regions of the HX tubes that requires oxide-resistant coatings, thereby guiding engineers for cost-efficient manufacturing of the HX that can combat oxidation in HRSGs.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Swept-Lookback Deflectometry for High Performance Concentrating Solar Power Optical Metrology

This report describes an initial investigation into a proposed solution to the important problem of performing a detailed evaluation of heliostat optical performance, in situ in a heliostat field. Our approach is to place digital cameras in a position near the receiver where they look back toward the heliostat mirrors. The pixels of each camera sensor identify a set of small cells on the mirror surface, each corresponding to a “mixel.” By either passing reflected sunbeam over the camera or passing the camera through the reflected sunbeam, the cameras intercept sunlight reflected from each mixel. We then analyze the recorded video data to determine times when each mixel transitions from dark to light, and then back to dark. We then use these transitions to construct vectors from the camera to the mixel, and then from the mixel to the edge of the Sun at that moment. We then compute the surface normal at the mixel, which bisects the angle between these vectors. Performing this analysis for all mixels in the mirror yields a high-resolution map of slope across the mirror surface. We have implemented most of this process, successfully collecting data for an example heliostat facet and computing a preliminary estimated slope map. However, more work remains to complete this calculation, since certain factors and transformations are not yet included. Our observations so far support our hypothesis that such a system is possible, but we have not yet completed our quantitative evaluation of the concept.

14 SOLAR ENERGY↗
DOE OSTI2023

Parallelization techniques for quantum simulation of fermionic systems

Mapping fermionic operators to qubit operators is an essential step for simulating fermionic systems on a quantum computer. We investigate how the choice of such a mapping interacts with the underlying qubit connectivity of the quantum processor to enable (or impede) parallelization of the resulting Hamiltonian-simulation algorithm. It is shown that this problem can be mapped to a path coloring problem on a graph constructed from the particular choice of encoding fermions onto qubits and the fermionic interactions onto paths. The basic version of this problem is called the weak coloring problem. Taking into account the fine-grained details of the mapping yields what is called the strong coloring problem, which leads to improved parallelization performance. A variety of illustrative analytical and numerical examples are presented to demonstrate the amount of improvement for both weak and strong coloring-based parallelizations. Our results are particularly important for implementation on near-term quantum processors where minimizing circuit depth is necessary for algorithmic feasibility.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Deep learning models for interpretation of point of care ultrasound in military working dogs

Introduction: Military working dogs (MWDs) are essential for military operations in a wide range of missions. With this pivotal role, MWDs can become casualties requiring specialized veterinary care that may not always be available far forward on the battlefield. Some injuries such as pneumothorax, hemothorax, or abdominal hemorrhage can be diagnosed using point of care ultrasound (POCUS) such as the Global FAST® exam. This presents a unique opportunity for artificial intelligence (AI) to aid in the interpretation of ultrasound images. In this article, deep learning classification neural networks were developed for POCUS assessment in MWDs. Methods: Images were collected in five MWDs under general anesthesia or deep sedation for all scan points in the Global FAST® exam. For representative injuries, a cadaver model was used from which positive and negative injury images were captured. A total of 327 ultrasound clips were captured and split across scan points for training three different AI network architectures: MobileNetV2, DarkNet-19, and ShrapML. Gradient class activation mapping (GradCAM) overlays were generated for representative images to better explain AI predictions. Results: Performance of AI models reached over 82% accuracy for all scan points. The model with the highest performance was trained with the MobileNetV2 network for the cystocolic scan point achieving 99.8% accuracy. Across all trained networks the diaphragmatic hepatorenal scan point had the best overall performance. However, GradCAM overlays showed that the models with highest accuracy, like MobileNetV2, were not always identifying relevant features. Conversely, the GradCAM heatmaps for ShrapML show general agreement with regions most indicative of fluid accumulation. Discussion: Overall, the AI models developed can automate POCUS predictions in MWDs. Preliminarily, ShrapML had the strongest performance and prediction rate paired with accurately tracking fluid accumulation sites, making it the most suitable option for eventual real-time deployment with ultrasound systems. Further integration of this technology with imaging technologies will expand use of POCUS-based triage of MWDs.

59 BASIC BIOLOGICAL SCIENCES↗