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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 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Towards Exascale Astrophysics of Mergers and Supernovae (TEAMS)

The TEAMS project brought together cutting-edge simulations, theoretical insights, and collaborative efforts to deepen our understanding of some of the universe’s most extreme phenomena—supernovae, neutron star mergers, and the powerful signals they emit. Using one of the largest suites of 3D supernova simulations ever conducted, researchers uncovered new insights into how massive stars explode, how those explosions vary by stellar mass, and what conditions lead to the birth of neutron stars or black holes. They also studied the radiation and gravitational wave signals emitted during these events, revealing how future observations can be used to uncover what happens deep inside collapsing stars. The team developed improved tools for modeling how light and neutrinos behave in such explosive environments, enabling more accurate predictions of what astronomers might observe. Work also explored how the chemical composition and geometry of kilonovae—the visible explosions that follow neutron star mergers—influence their signals and can reveal the origins of heavy elements like gold. These efforts not only advanced scientific knowledge, but also trained a new generation of researchers at the intersection of astrophysics, computational science, and nuclear theory.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Control Parameter Sensitivity Study for Inverter-Based-Resource Dominated Grids: A Small Signal Stability Approach and Framework

The growing adoption of renewable energy is driving the prevalence of inverter-based resources (IBRs) within power grids. Future power grids will integrate both grid-following IBRs (GFM-IBRs) and grid-forming IBRs (GFL-IBRs) alongside synchronous generators. Therefore, it is crucial to perform stability studies that account for all components and especially control interactions related to IBRs. Extensive research has performed to study the IBR-related stability, however, the sensitivity study of IBRs' control parameters on system stability has not been adequately studied yet, especially from a systematic way. Therefore, this paper conducts a small signal stability analysis for a generic grid with multiple types of resources and develops an analytical framework for assessing the sensitivity of control parameters affecting stability margins. To achieve that, the non-autonomous reduced-order non-linear dynamic model is developed for a generic power system with multiple synchronous generator-based resources (SGBRs), GFM-IBRs, and GFL-IBRs. Based on the analytic model, a systematic framework for parametric sensitivity on systems' asymptotic stability is developed. A parameter sensitivity analysis based on eigenvalue methods is proposed. The impact of the droop controllers of GFM-IBRs, PQ-dispatch and the PLL controller of GFL-IBR on the system asymptotic stability is discussed. This sensitivity study is aiming to provide deep insights on control parameters' impact on system stability, and gives direction for parameter tuning in case of instability.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Demystifying the Resilience of Large Language Models: An End-to-End Perspective

Deep neural networks are known to be resilient to random bit-wise faults in their parameters. However, this resilience has primarily been established through evaluations of classification models. The extent to which this claim holds for large-language models remains underexplored. In this work, we conduct an extensive measurement study on the impact of random bitwise faults in commercial-scale language models. We perform an in-depth analysis of the resulting generation outputs. We first expose that these language models are not truly resilient to random bit-flips. While aggregate metrics such as accuracy may suggest resilience, an in-depth inspection of the generated outputs shows significant degradation in text quality. Our analysis also shows that tasks requiring more complex reasoning suffer more from performance and quality degradation. Moreover, we extend our analysis to models with augmented reasoning capabilities, such as Chain-of-Thought or Mixture of Experts architectures, and characterize their failure scenarios under random bit-flips.

Sun, Yu↗
DOE OSTI2025

CT Scans of Cores Metadata, Utqiagvik (Barrow), Alaska, 2015

Individual ice cores were collected from Barrow Environmental Observatory in Barrow, Alaska, throughout 2013 and 2014. Cores were drilled along different transects to sample polygonal features (i.e. the trough, center and rim of high, transitional and low center polygons). Most cores were drilled around 1 meter in depth and a few deep cores were drilled around 3 meters in depth. Three-dimensional images of the frozen cores were constructed using a medical X-ray computed tomography (CT) scanner. TIFF files can be uploaded to ImageJ (an open-source imaging software) to examine soil structure and soil densities within each core.The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a 15-year research effort (2012-2027) to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research.The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska.Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1975

Seismically induced modification of lunar surface features

The formation of large impact craters and basins produced not only large volumes of ejecta but also catastrophic seismic waves. Theoretical models, extrapolation of terrestrial explosion data, and extrapolation of lunar impact data suggest surface displacements of 1-10 m at four crater radii from a Copernicus-size impact (4 x 10 to the 30th power ergs). Independent estimates of impact-generated stresses indicate that regions within 4 crater radii of an impact will receive shock waves with pressures exceeding 1 kbar. Greater areas also may receive shock effects as elastic waves following deep ray paths transform into shock waves near the surface. Additional seismic energy will be generated by impacts from secondary ejecta. The resulting large and long-lasting surface movement may contribute to the subdued appearance of the continuous ejecta blanket and secondary craters around large impact craters and to the degradation of small craters outside these zones.

Schultz, P. H.↗
NASA NTRS2016

A Quantum-Assisted Algorithm for Sampling Applications in Machine Learning

An increase in the efficiency of sampling from Boltzmann distributions would have a significant impact in deep learning and other machine learning applications. Recently, quantum annealers have been proposed as a potential candidate to speed up this task, but several limitations still bar these state-of-the-art technologies from being used effectively. One of the main limitations is that, while the device may indeed sample from a Boltzmann-like distribution, quantum dynamical arguments suggests it will do so with an instance-dependent effective temperature, different from the physical temperature of the device. Unless this unknown temperature can be unveiled, it might not be possible to effectively use a quantum annealer for Boltzmann sampling. In this talk, we present a strategy to overcome this challenge with a simple effective-temperature estimation algorithm. We provide a systematic study assessing the impact of the effective temperatures in the learning of a kind of restricted Boltzmann machine embedded on quantum hardware, which can serve as a building block for deep learning architectures. We also provide a comparison to k-step contrastive divergence (CD-k) with k up to 100. Although assuming a suitable fixed effective temperature also allows to outperform one step contrastive divergence (CD-1), only when using an instance-dependent effective temperature we find a performance close to that of CD-100 for the case studied here. We discuss generalizations of the algorithm to other more expressive generative models, beyond restricted Boltzmann machines.

Perdomo-Ortiz, Alejandro↗
DOE OSTI2026

A New Window into the Baryon Cycle at Cosmic Noon with Line Intensity Mapping: Forecasts for auto- and cross-correlations in [CII]-158$μ$m, HI 21 cm, CO$_{J+1\rightarrow J}$, and H$α$ galaxies

Across the peak of cosmic star formation at $z\sim1-2$, inflow, processing, and feedback drive rapid changes in the spatial distribution and chemical composition of baryons in galaxies and surrounding reservoirs; this baryon cycle can be tomographically mapped by line intensity mapping (LIM) of atomic hydrogen, ionized carbon, and carbon monoxide. We present a simulation-based forecasting framework for detecting auto- and cross-power spectra between spectroscopic surveys of four such tracers at $z\sim0.5-1.7$ mapping the same deep field - TIM, EoRSpec/FYST, MeerKAT, & Euclid. We forward-model 3-D distributions for these tracers from magnetohydrodynamic simulations, directly capturing the two-halo, one-halo, and shot statistics without relying on analytical decompositions. We further detail a signal-to-noise formalism, tailored to LIM surveys with highly anisotropic geometries and Fourier-space coverage. We demonstrate that galaxy cross-correlations will be the dominant discovery channel for current-generation surveys. These instruments will detect the auto-spectra for CO and HI 21 cm and the CO $\times$ 21 cm cross-spectrum at modest S/N $\sim 1-10$, while placing upper limits on the [CII]-158$μ$m signals. [CII], CO, and HI LIM will be $\sim3-30\times$ ($0.5-1.5$ dex) more sensitive to cross-correlation with the Euclid survey, however, than their respective auto-correlations, constraining all three models of line emission at high significance (S/N $\sim 10-40$) within this decade. Finally, we formulate a staged instrumental trajectory with planned or reasonable improvements, including the as-proposed SKA-Mid. We forecast advancing the per-$k$-mode sensitivities of each auto-, galaxy-line, and line-line spectrum by several orders of magnitude, enabling new percent- and sub-percent level constraints on cosmology and the redshift evolution of star formation and the baryon cycle.

Agrawal, Shubh [Pennsylvania U., Dept. Math.]↗
DOE OSTI2024

Advanced Cross Section Library Generation using Reduced Order Models

Deterministic neutronics calculations rely on multigroup neutron cross section libraries, which consist of databases of tabulated values, used to calculate the neutron cross sections through multivariate linear interpolation. However, interpolation of the multidimensional cross section data becomes memory inefficient and time consuming as the number of tabulations increases, significantly slowing down the neutronics calculation, especially in the case of microscopic cross section libraries where every isotope (on the order of hundreds) has its own set of specific reactions and cross sections. In order to address this challenge, this work constructs efficient and robust reduced-order models (ROMs) of the multi-group cross sections to support the Griffin simulation of high-temperature gas-cooled reactors (HTGRs). The first part of the study investigates the linearity of the multigroup cross section data across isotopes, reaction types, and energy groups on pre-generated datasets for the purpose of dimensionality reduction. Secondly, a down-selection of ROM techniques is presented on representative classical machine learning (ML) techniques, including variants of linear regression, kernel-based methods, tree-based algorithms, and artificial neural networks. The selection criteria jointly consider the memory efficiency, predictive accuracy, prediction speed, and scalability in comparison to the multidimensional interpolation. Among all the ML techniques, deep neural networks (DNNs) have proven to be the best selection with sufficient accuracy, high robustness, good memory efficiency, great scalability, and superior flexibility. DNNs have been trained for all isotopes in this work and systematic Griffin testing is ongoing to ensure the feasibility of this ROM technique for predicting cross section and reducing memory requirements without a significant sacrifice in computational performance.

42 - ENGINEERING↗
DOE OSTI2024

Reduce-Order Modeling of Multigroup Neutron Cross Sections for High-Temperature Gas-cooled Reactors

Deterministic neutronics calculations rely on multigroup neutron cross section libraries, which usually consists of a database of tabulated values, used to calculate the cross sections through multivariate linear interpolation. However, interpolation of the multidimensional cross section data becomes memory inefficient and time consuming as the number of tabulations increases, significantly slowing down the neutronics calculation, especially in the case of micro cross section libraries where every isotope (on the order of hundreds) has its own set of specific reactions and cross sections. To address this challenge, this work constructs efficient and robust reduced-order models (ROMs) of the multi-group cross sections to support the Griffin simulation of high-temperature gas-cooled reactors (HTGRs). The first part of the study investigates the linearity of the multi-group cross section data across isotopes, reaction types and energy groups on pre-generated datasets for the purpose of dimensionality reduction. Secondly, a down-selection of ROM techniques is presented on representative classical machine learning (ML) techniques, including variants of linear regression, kernel-based methods, tree-based algorithms, and artificial neural networks. The selection criteria jointly consider the memory efficiency, predictive accuracy, prediction speed, and scalability in comparison to the multidimensional interpolation. Among all the ML techniques, deep neural networks (DNNs) have proven to be the best selection with sufficient accuracy, high robustness, good memory efficiency, great scalability, and superior flexibility. DNNs for have been trained for all isotopes in this work and systematic Griffin testing is ongoing at this moment to ensure the feasibility of this ROM technique for cross section predictions.

42 - ENGINEERING↗
DOE OSTI2024

Enhancing Electron Microscopy Image Classification Using Data Augmentation

Manual labeling for machine learning tasks such as image classification is tedious and labor-intensive; as a result, scientific datasets suitable for deep learning applications are scarce and limited. While data augmentation techniques have shown promise for extending image datasets, very little work has been done to understand the impact of combining multiple augmentation methods sequentially or the limits of their effectiveness when combined. Our work addresses this gap by examining how standard and combinatorial data augmentation affects the performance of machine learning models when trained on small datasets for label classification tasks. For our analysis, we generate single, double and quadruple-augmented datasets for a microscopy image classification task using six standard augmentation methods, and compare the resultant improvements observed in binary classification accuracy with three standard image classification models (DenseNet169, MobileNetV2, ResNet101V2). Our experiments show a non-monotonic relationship between the number of simultaneous augmentation methods and classification accuracy, indicating that there is a trade-off between the degree of augmentation and the model performance. These findings suggest that the optimal number of augmentation methods will vary by domain and use case. We also find that the order in which augmentation methods are applied to a limited dataset matters when combining augmentation schemes, with our use case showing performance differences up to 2.6% when the augmentation order is reversed for double-augmented datasets. Our work offers insights to the limits of data augmentation when working on image classification tasks with limited datasets.

Welsman, Jordan A↗
DOE OSTI2025

The SAND detector for the DUNE experiment

The Deep Underground Neutrino Experiment (DUNE) is a next-generation project aiming to study several neutrino properties. It will feature two experimental setups: a near detector that will be installed at Fermilab, in proximity of the neutrino-production point, and a far detector at a distance of 1300 km and 1500 m underground, at the SURF laboratory. The DUNE design and configuration will allow the study of neutrino oscillation, astrophysical neutrinos, and beyond standard model physics. The near detector complex foresees three detectors to be installed. Among these, the System for on-Axis Neutrino Detection (SAND) will serve as on-axis beam monitor, reduce the systematic uncertainties for the oscillation analysis, and search for physics beyond the standard model. SAND will be composed of three sub-detectors, surrounded by a 0.6 T superconducting magnet. The outermost detector will be a lead/scintillating-fiber electromagnetic calorimeter while the inner volume will include a 1-ton liquid argon active target placed upstream followed by a target tracker system. The SAND detector and its goals will be shown in this poster.

Alemanno, Francesca [Salento U.; INFN, Lecce]↗
DOE OSTI2024

Scalable Risk Assessment of Rare Events in Power Systems With Uncertain Wind Generation and Loads

Risk assessment of rare events has become increasingly important in power system planning and operation with the increasing integration of renewable energy and the presence of system uncertainties. However, quantifying the risk posed by rare events via the traditional method, i.e., Monte Carlo sampling (MCS), incurs substantial computational expense stemming from the vast ensemble of power flow simulations. To accelerate the assessment, this paper proposes a Deep Neural Network (DNN)-kernelized vector-valued Gaussian Process (VVGP) approach with excellent computational efficiency while maintaining high accuracy. Consequently, serving as a surrogate model for the power flow solver, the DNN-kernelized VVGP enables significantly faster but accurate risk assessment compared to the power flow solver. The developed surrogate model evaluates low-order N - k events that contain more than 90% instances by adeptly capturing the topological features while the high-order N - k events are assessed via a power flow solver, thereby striking a balance between computational efficiency and uncertainty quantification accuracy. Moreover, the model incorporates a Support Vector Machine (SVM) classifier to resample concerning low-probability tail events to counteract the biases potentially introduced during the DNN-kernelized VVGP evaluations. Simulations conducted on the modified IEEE 24-bus, 118-bus, and European 1354-bus systems demonstrate that the proposed method maintains the accuracy benchmark set by MCS while significantly reducing computational demands in large-scale power systems as compared to other state-of-the-art methods.

17 WIND ENERGY↗
DOE OSTI2024

Geometry-complete diffusion for 3D molecule generation and optimization

Abstract Generative deep learning methods have recently been proposed for generating 3D molecules using equivariant graph neural networks (GNNs) within a denoising diffusion framework. However, such methods are unable to learn important geometric properties of 3D molecules, as they adopt molecule-agnostic and non-geometric GNNs as their 3D graph denoising networks, which notably hinders their ability to generate valid large 3D molecules. In this work, we address these gaps by introducing the Geometry-Complete Diffusion Model (GCDM) for 3D molecule generation, which outperforms existing 3D molecular diffusion models by significant margins across conditional and unconditional settings for the QM9 dataset and the larger GEOM-Drugs dataset, respectively. Importantly, we demonstrate that GCDM’s generative denoising process enables the model to generate a significant proportion of valid and energetically-stable large molecules at the scale of GEOM-Drugs, whereas previous methods fail to do so with the features they learn. Additionally, we show that extensions of GCDM can not only effectively design 3D molecules for specific protein pockets but can be repurposed to consistently optimize the geometry and chemical composition of existing 3D molecules for molecular stability and property specificity, demonstrating new versatility of molecular diffusion models. Code and data are freely available on GitHub .

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

CryoTEN: efficiently enhancing cryo-EM density maps using transformers

Abstract Motivation Cryogenic electron microscopy (cryo-EM) is a core experimental technique used to determine the structure of macromolecules such as proteins. However, the effectiveness of cryo-EM is often hindered by the noise and missing density values in cryo-EM density maps caused by experimental conditions such as low contrast and conformational heterogeneity. Although various global and local map-sharpening techniques are widely employed to improve cryo-EM density maps, it is still challenging to efficiently improve their quality for building better protein structures from them. Results In this study, we introduce CryoTEN—a 3D UNETR++ style transformer to improve cryo-EM maps effectively. CryoTEN is trained using a diverse set of 1295 cryo-EM maps as inputs and their corresponding simulated maps generated from known protein structures as targets. An independent test set containing 150 maps is used to evaluate CryoTEN, and the results demonstrate that it can robustly enhance the quality of cryo-EM density maps. In addition, automatic de novo protein structure modeling shows that protein structures built from the density maps processed by CryoTEN have substantially better quality than those built from the original maps. Compared to the existing state-of-the-art deep learning methods for enhancing cryo-EM density maps, CryoTEN ranks second in improving the quality of density maps, while running >10 times faster and requiring much less GPU memory than them. Availability and implementation The source code and data are freely available at https://github.com/jianlin-cheng/cryoten.

Biochemistry & Molecular Biology↗
NASA NTRS1976

Measurements of sound radiation from cavities at subsonic speeds

To better understand the physical mechanisms responsible for noise generated by flow over cavities with a range of dimensions common to commercial aircraft, a series of measurements of farfield sound pressure level, fluctuating surface pressure, and drag coefficient was made. An examination of the resultant data shows that two theoretical models are needed for this range of dimensions. The shallow cavity (width-to-depth ratio larger than 1.0) can be approximated by a dipole located near the downstream edge of the cavity and the deep cavity (ratio less than 1.0) can be approximated by a dipole located near the downstream edge with the superimposed effects of the upstream edge of the cavity.

Yu, Y. H.↗
NASA NTRS1978

Passive seismic experiment - A summary of current status

The data set obtained from the four-station Apollo seismic network including signals from approximately 11,800 events, is surveyed. Some refinement of the lunar model will result, but its gross features remain the same. Attention is given to the question of a small, molten lunar core, the answer to which remains dependent on analysis of signals from a far side impact. Seventy three sources of repeating, deep moonquakes have been identified, thirty nine of which have been accurately located. Concentrated at depths from 800 to 1000 km, the periodicities of these events have led to the hypothesis that they are generated by tidal stresses. Lunar seismic data has also indicated that the meteoroid population is ten times lower than originally determined from earth based observations. Lunar seismic activity is much lower and mountainous masses show no sign of sinking, in contrast to earth, as a result of the lunar crust being four times thicker. While much work remains to be done, significant correlation between terrestrial and lunar observations can be seen.

Latham, G. V.↗
DOE OSTI2024

Catalyzing deep decarbonization with federated battery diagnosis and prognosis for better data management in energy storage systems

Industrial data analytics methods play a central role in improving energy storage performance and efficiency, impacting the future of electrified transportation and renewable electricity generation. However, significant challenges hinder the large-scale deployment of batteries. Conventional methods rely on centralized collection and processing of fleet-level data, leading to database size issues and privacy concerns due to potential data breaches. To enable scalable deployment of battery management systems, this article proposes a federated battery diagnosis and prognosis model, which distributes the processing of battery standard current-voltage-time-usage data in a privacy-preserving manner. Instead of transferring the raw data, this approach communicates only the locally processed parameters, thus reducing communication load and preserving data confidentiality. The federated model offers a paradigm shift in battery health management through privacy-preserving distributed methods for battery data processing and lifetime prediction, ensuring the reliable and sustainable deployment of lithium-ion batteries in a rapidly evolving world.

asset health management↗
DOE OSTI2024

Identifying Robust Decarbonization Pathways for the Western U.S. Electric Power System Under Deep Climate Uncertainty

Climate change threatens the resource adequacy of future power systems. Existing research and practice lack frameworks for identifying decarbonization pathways that are robust to climate-related uncertainty. We create such an analytical framework, then use it to assess the robustness of alternative pathways to achieving 60% emissions reductions from 2022 levels by 2040 for the Western U.S. power system. Our framework integrates power system planning and resource adequacy models with 100 climate realizations from a large climate ensemble. Climate realizations drive electricity demand; thermal plant availability; and wind, solar, and hydropower generation. Among five initial decarbonization pathways, all exhibit modest to significant resource adequacy failures under climate realizations in 2040, but certain pathways experience significantly less resource adequacy failures at little additional cost relative to other pathways. By identifying and planning for an extreme climate realization that drives the largest resource adequacy failures across our pathways, we produce a new decarbonization pathway that has no resource adequacy failures under any climate realizations. This new pathway is roughly 5% more expensive than other pathways due to greater capacity investment, and shifts investment from wind to solar and natural gas generators. Our analysis suggests modest increases in investment costs can add significant robustness against climate change in decarbonizing power systems. Our framework can help power system planners adapt to climate change by stress testing future plans to potential climate realizations, and offers a unique bridge between energy system and climate modeling.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗