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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 145 records · Page 8

Guiding the Design of Heterogeneous Electrode Microstructures for Li-Ion Batteries: Microscopic Imaging, Predictive Modeling, and Machine Learning

Electrochemical and mechanical properties of lithium-ion battery materials are heavily dependent on their 3D microstructure characteristics. A quantitative understanding of the role played by stochastic microstructures is critical for the prediction of material properties and for guiding synthesis processes. Furthermore, tailoring microstructure morphology is also a viable way of achieving optimal electrochemical and mechanical performances of lithium-ion cells. To facilitate the establishment of microstructure-resolved modeling and design methods, a review covering spatially and temporally resolved imaging of microstructure and electrochemical phenomena, microstructure statistical characterization and stochastic reconstruction, microstructure-resolved modeling for property prediction, and machine learning for microstructure design is presented here. The perspectives on the unresolved challenges and opportunities in applying experimental data, modeling, and machine learning to improve the understanding of materials and identify paths toward enhanced performance of lithium-ion cells are presented.

25 ENERGY STORAGE↗

Environment-sensitivity functions for gross primary productivity in light use efficiency models

The sensitivity of photosynthesis to environmental changes is essential for understanding carbon cycle responses to global climate change and for the development of modeling approaches that explains its spatial and temporal variability. We collected a large variety of published sensitivity functions of gross primary productivity (GPP) to different forcing variables to assess the response of GPP to environmental factors. These include the responses of GPP to temperature; vapor pressure deficit, some of which include the response to atmospheric CO 2 concentrations; soil water availability (W); light intensity; and cloudiness. These functions were combined in a full factorial light use efficiency (LUE) model structure, leading to a collection of 5600 distinct LUE models. Each model was optimized against daily GPP and evapotranspiration fluxes from 196 FLUXNET sites and ranked across sites based on a bootstrap approach. The GPP sensitivity to each environmental factor, including CO 2 fertilization, was shown to be significant, and that none of the previously published model structures performed as well as the best model selected. From daily and weekly to monthly scales, the best model's median Nash-Sutcliffe model efficiency across sites was 0.73, 0.79 and 0.82, respectively, but poorer at annual scales (0.23), emphasizing the common limitation of current models in describing the interannual variability of GPP. Although the best global model did not match the local best model at each site, the selection was robust across ecosystem types. The contribution of light saturation and cloudiness to GPP was observed across all biomes (from 23% to 43%). Temperature and W dominates GPP and LUE but responses of GPP to temperature and W are lagged in cold and arid ecosystems, respectively. The findings of this study provide a foundation towards more robust LUE-based estimates of global GPP and may provide a benchmark for other empirical GPP products.

54 ENVIRONMENTAL SCIENCES↗

How fast can protons decay?

Current laboratory bounds imply that protons are extremely long-lived. However, this conclusion may not hold for all time and in all of space. We find that the proton lifetime can be ∼ 15 orders of magnitude shorter in the relatively recent past on Earth or at the present time elsewhere in the Milky Way. A number of terrestrial and astrophysical constraints are examined and potential signals are outlined. We also sketch possible models that could lead to spatial or temporal variations in the proton lifetime. A positive signal could be compelling evidence for a new long range force of nature, with important implications for the limitations of fundamental inferences based solely on laboratory measurements. Published by the American Physical Society 2025

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

ThermoPore: Predicting part porosity based on thermal images using deep learning

Part qualification is often a critical and labor-intensive process in additive manufacturing, particularly in the detection of defects such as porosity, which stands to benefit significantly from advancements in machine learning. We present a deep learning approach for quantifying and localizing ex-situ porosity within Laser Powder Bed Fusion fabricated samples utilizing in-situ thermal image monitoring data. Our goal is to build the real time porosity map of parts based on thermal images acquired during the build. The quantification task builds upon the established Convolutional Neural Network model architecture to predict pore count and the localization task leverages the spatial and temporal attention mechanisms of the novel Video Vision Transformer model to indicate areas of expected porosity. Our model for porosity quantification achieved a R 2 score of 0.57 and our model for porosity localization produced an average Intersection over Union (IoU) score of 0.32 and a maximum of 1.0. This work is setting the foundations of part porosity “Digital Twins” based on additive manufacturing monitoring data and can be applied downstream to reduce time-intensive post-inspection and testing activities during part qualification and certification. In addition, we seek to accelerate the acquisition of crucial insights normally only available through ex-situ part evaluation by means of machine learning analysis of in-situ process monitoring data.

Deep learning↗

Scientific machine learning for closure models in multiscale problems: A review

Here, closure problems are omnipresent when simulating multiscale systems, where some quantities and processes cannot be fully prescribed despite their effects on the simulation's accuracy. Recently, scientific machine learning approaches have been proposed as a way to tackle the closure problem, combining traditional (physics-based) modeling with data-driven (machine-learned) techniques, typically through enriching differential equations with neural networks. This paper reviews the different reduced model forms, distinguished by the degree to which they include known physics, and the different objectives of a priori and a posteriori learning. The importance of adhering to physical laws (such as symmetries and conservation laws) in choosing the reduced model form and choosing the learning method is discussed. The effect of spatial and temporal discretization and recent trends toward discretization-invariant models are reviewed. In addition, we make the connections between closure problems and several other research disciplines: inverse problems, Mori-Zwanzig theory, and multi-fidelity methods. In conclusion, much progress has been made with scientific machine learning approaches for solving closure problems, but many challenges remain. In particular, the generalizability and interpretability of learned models is a major issue that needs to be addressed further.

97 MATHEMATICS AND COMPUTING↗

STAIR 2.0: A Generic and Automatic Algorithm to Fuse Modis, Landsat, and Sentinel-2 to Generate 10 m, Daily, and Cloud-/Gap-Free Surface Reflectance Product

Remote sensing datasets with both high spatial and high temporal resolution are critical for monitoring and modeling the dynamics of land surfaces. However, no current satellite sensor could simultaneously achieve both high spatial resolution and high revisiting frequency. Therefore, the integration of different sources of satellite data to produce a fusion product has become a popular solution to address this challenge. Many methods have been proposed to generate synthetic images with rich spatial details and high temporal frequency by combining two types of satellite datasets—usually frequent coarse-resolution images (e.g., MODIS) and sparse fine-resolution images (e.g., Landsat). In this paper, we introduce STAIR 2.0, a new fusion method that extends the previous STAIR fusion framework, to fuse three types of satellite datasets, including MODIS, Landsat, and Sentinel-2. In STAIR 2.0, input images are first processed to impute missing-value pixels that are due to clouds or sensor mechanical issues using a gap-filling algorithm. The multiple refined time series are then integrated stepwisely, from coarse- to fine- and high-resolution, ultimately providing a synthetic daily, high-resolution surface reflectance observations. We applied STAIR 2.0 to generate a 10-m, daily, cloud-/gap-free time series that covers the 2017 growing season of Saunders County, Nebraska. Moreover, the framework is generic and can be extended to integrate more types of satellite data sources, further improving the quality of the fusion product. View Full-Text

47 OTHER INSTRUMENTATION↗

Empirical evidence that mean soil contaminant concentration is not a conservative indicator of external exposure to wildlife

Adequate information on external exposure is often a limiting factor in ecological risk assessments because of a lack of exposure data for free-ranging animals as they interact with a heterogeneous distribution of contaminants. Instead, most wildlife exposure data are estimated from model simulations. However, empirical exposure data are rarely available to verify model results, or to test fundamental assumptions inherent in exposure assessments. We used novel, GPS-coupled radiation dosimeters on reindeer (Rangifer tarandus) to quantify their external exposure for five months in a Chernobyl fallout affected mountainous area of Norway. The exposure data were then used to test a fundamental assumption in screening-level risk assessments: Mean soil contaminant concentrations can be used to conservatively estimate chronic external exposures to representative animals. External exposure and GPS coordinates were obtained hourly and compared to model simulations of exposure based on airborne surveys of 137 Cs soil contamination. Our objectives were to determine 1) if modelled dose estimates based on mean 137 Cs soil concentrations were conservative, and 2) if modelled dose estimates could be improved by adjusting for spatial–temporal heterogeneity of contaminants using 137 Cs concentrations within reindeers’ GPS-defined home ranges and core areas. We found that external exposure modelled from mean soil contaminant concentrations underestimated exposure by 70% compared to empirical measurements from GPS-dosimeter collars worn on individual animals. Using area-weighted mean contaminant levels within the animals’ home range improved the model estimates, but still underestimated the field dosimeter data by 53%. The best estimate of external exposure was obtained when high-use areas within their home range, along with spatial heterogeneity of the contaminant, was accounted for by using area-weighted mean soil contaminant levels within GPS-derived core areas. Accounting for temporal use of core areas within animals’ home range provided a 24% improvement. Here, a comparison of our analyses to similar work performed on Chernobyl wolves found the two studies concur that risk assessors should be cautious in relying on the paradigm of using averaged soil contaminant levels to provide conservative estimates of external exposure to representative individuals. Results of modelled external exposure based on mean soil contaminant concentrations could misguide assessors and cause inappropriate management decisions.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗

Pattern formation in a coupled membrane-bulk reaction-diffusion model for intracellular polarization and oscillations

Reaction-diffusion systems have been widely used to study spatio-temporal phenomena in cell biology, such as cell polarization. Coupled bulk-surface models naturally include compartmentalization of cytosolic and membrane-bound polarity molecules. Here we study the distribution of the polarity protein Cdc42 in a mass-conserved membrane-bulk model, and explore the effects of diffusion and spatial dimensionality on spatio-temporal pattern formation. We first analyze a one-dimensional (1-D) model for Cdc42 oscillations in fission yeast, consisting of two diffusion equations in the bulk domain coupled to nonlinear ODEs for binding kinetics at each end of the cell. In 1-D, our analysis reveals the existence of symmetric and asymmetric steady states, as well as anti-phase relaxation oscillations typical of slow-fast systems. We then extend our analysis to a two-dimensional (2-D) model with circular bulk geometry, for which species can either diffuse inside the cell or become bound to the membrane and undergo a nonlinear reaction-diffusion process. We also consider a nonlocal system of PDEs approximating the dynamics of the 2-D membrane-bulk model in the limit of fast bulk diffusion. In all three model variants we find that mass conservation selects perturbations of spatial modes that simply redistribute mass. In 1-D, only anti-phase oscillations between the two ends of the cell can occur, and in-phase oscillations are excluded. In higher dimensions, no radially symmetric oscillations are observed. Instead, the only instabilities are symmetry-breaking, either corresponding to stationary Turing instabilities, leading to the formation of stationary patterns, or to oscillatory Turing instabilities, leading to traveling and standing waves. Codimension-two Bogdanov—Takens bifurcations occur when the two distinct instabilities coincide, causing traveling waves to slow down and to eventually become stationary patterns. Our work clarifies the effect of geometry and dimensionality on behaviors observed in ma.ss-conserved cell polarity models.

97 MATHEMATICS AND COMPUTING↗

Numerical investigation of mixing and heat transfer in a 7.9 m JP-8 pool fire

The response of objects engulfed in, and adjacent to, large-scale pool fires is of interest in accident and safety assessments. In this study, Fuego, a low-Mach turbulent reacting flow code was used to study conjugate heat transfer in a 7.9 m diameter JP-8 pool fire. Simulations were designed to replicate past experimental measurements (Blanchat et al., 2006) of incident heat flux to three cylindrical calorimeters in and around the pool fire. Two turbulent combustion models were compared directly - the eddy dissipation concept and a more recently developed unsteady flamelet model. First and second order spatial and temporal discretization schemes were also compared to assess the performance of low-dissipation numerical operators. Heat flux predictions to the transportation size calorimeter outside the fire were within experimental uncertainties. Inside the fire, experimental measurements were higher than predicted values and may have been a consequence of soot deposition and augmented participating media radiation from soot and fuel vapor. Simulation predictions improved in cases where turbulent kinetic energy and mixing were more resolved. This work, and others referenced herein, suggest that spatial resolution on the order of 0.5–1.0 cm may be required to fully resolve fluid instabilities, vortex production between fire plumes and crosswind, soot production, and fuel-air mixing. This presents a substantial computational challenge for safety assessments of engulfed objects in fully turbulent pool fires.

Conjugate heat transfer↗

Time-domain theory of transient heat conduction in the local limit

Ultrafast and nanoscale heat conduction demands a unified theoretical framework that rigorously bridges macroscopic transport equations with microscopic material properties derived from statistical physics. Existing empirical generalizations of Fourier's law often lack a solid microscopic foundation, failing to connect observed non-Fourier behavior with underlying atomic-scale mechanisms. In this work, we present a time-domain theory of transient heat conduction rooted in Zwanzig's statistical theory of irreversible processes. Central to this framework is the time-domain transport function $\overleftrightarrow{𝑍}$⁡(𝑡) defined through equilibrium time-correlation functions of heat fluxes. This function generalizes the conventional concept of steady-state thermal conductivity, governing the transition of conduction dynamics from onset second sound type wave propagation at finite speeds to diffusion-dominated behavior across broad temporal and spatial scales. Unlike phonon hydrodynamic models that rely on mesoscopic constructs such as phonon drift velocity, our approach provides a quantitative and microscopic description of intrinsic memory effects in transient heat fluxes and applies universally to bulk materials at any temperature or length scale. By integrating atomistic-scale first-principles calculations with continuum-level macroscopic equations, this framework offers a robust foundation for numerical simulations of transient temperature fields. Furthermore, it facilitates the interpretation and design of transient thermal grating experiments using nanometer-scale heat sources and ultrafast laser systems in the extreme ultraviolet and x-ray wavelength ranges, advancing our understanding of heat dissipation dynamics.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

SNNPG: Using Spiking Neural Networks to Detect Attacks in the Power Grid

We explore the potential of Spiking Neural Networks (SNN) to enhance the security of power grid operations by detecting False Data Injection (FDI) attacks. These attacks manipulate PMU readings, leading to erroneous control decisions and grid disruptions. We develop a method to convert Phase Measurement Unit (PMU) data into spike trains, capturing both temporal and spatial dimensions. Using an SNN model, we conduct evaluations with simulated power grid data, showcasing accuracy in detecting FDI attacks. SNN models rapidly identify anomalies in real-time PMU data, safeguarding grid operations by alerting operators to irregular readings and preventing incorrect decisions.

artificial intelligence↗

Temporal and spatial resolution of magnetosome degradation at the subcellular level in a 3D lung carcinoma model

Magnetic nanoparticles offer many exciting possibilities in biomedicine, from cell imaging to cancer treatment. One of the currently researched nanoparticles are magnetosomes, magnetite nanoparticles of high chemical purity synthesized by magnetotactic bacteria. Despite their therapeutic potential, very little is known about their degradation in human cells, and even less so of their degradation within tumours. In an effort to explore the potential of magnetosomes for cancer treatment, we have explored their degradation process in a 3D human lung carcinoma model at the subcellular level and with nanometre scale resolution. We have used state of the art hard X-ray probes (nano-XANES and nano-XRF), which allow for identification of distinct iron phases in each region of the cell. Our results reveal the progression of magnetite oxidation to maghemite within magnetosomes, and the biosynthesis of magnetite and ferrihydrite by ferritin.

36 MATERIALS SCIENCE↗

A scalable planning framework of energy storage systems under frequency dynamics constraints

As the penetration of renewables increases in power systems, the declining system inertia can cause frequency stability issues. Battery energy storage systems (BESSs) respond fast and therefore can relieve the low inertia difficulty but need to be appropriately sized considering the associated cost. This paper presents a novel stochastic optimization model for economically planning BESS capacity while considering the spatial–temporal correlation of wind generation and generator outages under frequency stability constraints, which include the rate-of-change of frequency (RoCoF), frequency nadir (FN), and quasi-steady-state (QSS) frequency. A set of new FN constraints that can be easily linearized is developed. To account for renewable uncertainties, a realistic uncertainty modeling approach, Random Field, is adopted to generate wind generation scenarios by considering both spatial and temporal evolutions of wind speed profiles. The ESS sizing is formulated as a mixed-integer linear programming problem and solved by using a scalable decomposition-and-coordination approach, Surrogate Absolute Value Lagrangian Relaxation (SAVLR). To further improve the scalability and reduce computational burdens, a rolling-horizon-based update is developed and incorporated into SAVLR for providing a practical solution to the long-term planning of very large-scale power systems. Finally, a modified IEEE 118-bus system and the Polish system are used to validate the effectiveness and scalability of the model and solution methodology.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Evaluation of artificial neural network performance for classification of potato plants infected with potato virus Y using spectral data on multiple varieties and genotypes

Potato virus Y (Potyviridae, PVY) is a plant virus that poses a significant threat to potato producers on a global basis. The pathogen has disrupted seed potato supplies and negatively impacted yield and quality of commercial potato crops. The potato industry currently manages PVY infection levels via insecticide applications, regional seed certification programs that rely on field scouting to visually assess individual plants for infection status, and destructive and costly tissue sampling coupled with laboratory assays. Despite these efforts, PVY continues to confound potato industry stakeholders resulting in economic harm. Remote sensing and machine learning provide for the development of new tools to more accurately detect and spatially quantify PVY-infected plants versus the current state of the art. However, there is a need to understand how the occurrence of many different potato varieties impact the dynamics of developing models to detect potato plants impacted with PVY and their potential effectiveness. This study evaluates classification modelling outcomes using spectral datasets collected in different temporal and spatial environments (greenhouse and a production field) on multiple potato varieties consisting of labelled instances of plants infected with PVY and those not infected with the virus. A modelling framework was developed to support iterative modelling runs using artificial neural network (ANN) architectures configured as binary classifiers to develop sample populations to support statistical analysis on model performance using specific spectral subsets. When using spectral data to detect PVY-infected plants, ANN models achieved the highest mean accuracy of 0.894 on a single variety. Conversely, the same ANN model architecture only achieved a mean accuracy of 0.575 on a spectral data set representing 29 potato breeding lines. Additionally, statistical analysis indicates spectral regions including the red edge, near infrared and shortwave infrared contain more important spectral features for the ANN classifier introduced in this research.

60 APPLIED LIFE SCIENCES↗

Extreme Scale Infrasound Inversion and Prediction for Weather Characterization and Acute Event Detection

Accurate and timely weather predictions are critical to many aspects of society with a profound impact on our economy, general well-being, and national security. In particular, our ability to forecast severe weather systems is necessary to avoid injuries and fatalities, but also important to minimize infrastructure damage and maximize mitigation strategies. The weather community has developed a range of sophisticated numerical models that are executed at various spatial and temporal scales in an attempt to issue global, regional, and local forecasts in pseudo real time. The accuracy however depends on the time period of the forecast, the nonlinearities of the dynamics, and the target spatial resolution. Significant uncertainties plague these predictions including errors in initial conditions, material properties, data, and model approximations. To address these shortcomings, a continuous data collection occurs at an effort level that is even larger than the modeling process. It has been demonstrated that the accuracy of the predictions depends on the quality of the data and is independent to a certain extent on the sophistication of the numerical models. Data assimilation has become one of the more critical steps in the overall weather prediction business and consequently substantial improvements in the quality of the data would have transformational benefits. This paper describes the use of infrasound inversion technology, enabled through exascale computing, that could potentially achieve orders of magnitude improvement in data quality and therefore transform weather predictions with significant impact on many aspects of our society.

58 GEOSCIENCES↗

Conceptual Model Update of Mercury Sources and Flux at Y-12 and Upper East Fork Poplar Creek, Oak Ridge,Tennessee

The interactions between the key processes that control the fate and transport of mercury (Hg) in the sediments, groundwater, and stream water within the Y-12 National Security Complex (Y-12) in Oak Ridge, Tennessee are complex, and many aspects are not well understood. In contaminated environments such as Y-12, conceptual models are frequently developed to aid in visualizing and understanding the dynamic nature of the hydrologic, geochemical, and physical environment. These conceptual models integrate data in an internally consistent manner to understand processes that control the fate and transport of contaminants. Over the past few decades of environmental investigation at Y-12, a number of conceptual models have been developed to identify and define various technical processes at various scales. The main purpose of the activities described in this report is to update the 2011 conceptual model for Upper East Fork Poplar Creek using the most recent Hg concentration and flux data and informed scientific interpretation. Emphasis was placed on improving the previous model by implementing a more detailed spatial and temporal approach to visualize transport pathways in the watershed and trends in flux and concentration over time, and to compare baseflow and stormflow system dynamics. Detailed descriptions of historical and current Hg sources and transport pathways are also provided for the east and west ends of the facility. This conceptual model will allow the US Department of Energy to evaluate past and present remedial activities and provide a strong technical basis for prioritizing and optimizing remedial responses in a cost-effective and efficient manner. Twenty years ago, Hg flux from Outfall (OF) 200 at the headwaters of East Fork Poplar Creek represented approximately 20% of the overall flux leaving Y-12. By the time of the 2011 conceptual model report, that percentage had increased to 70%–80%. Flux estimates compiled for this report using data from 2009 to 2018 show that OF200 accounted for roughly 60% of the flux leaving Y-12. The relative role of the four storm drain conduits to OF200 appeared similar to 2011, with OF163 being the greatest contributor to downstream flux. An increase in Hg concentrations and flux occurred throughout and downstream of west end storm drains in 2011 in response to a storm drain cleanout. Leading up to the 2011 storm drain cleanout, annual baseflow flux was higher at OF200A6 than at Station 17. From 2011 to 2018, the trend reversed with concentrations and flux being higher at Station 17 than at OF200A6. A spike in concentrations occurred in July 2018, potentially due to a one-time influx of Hg that occurred during COLEX decontamination and decommissioning activities at Y-12. This report includes recommendations for improving our conceptual understanding of Hg sources, transport pathways, and flux at Y-12. Important recommendations include further evaluation of transport pathways, concurrent measurement of Hg concentration and flux under baseflow and stormflow conditions at multiple sites, and research to understand the connections among periphyton and methylmercury concentration, bioavailability, and bioaccumulation. Ongoing facility decontamination and decommissioning efforts, site characterization, remedial actions, and research are facilitating the collection of new Hg data at Y-12. The conceptual model update provided herein takes advantage of the extensive recent Hg sampling to provide an updated assessment of Hg mass balance and support a refined understanding of Hg behavior at or near Y-12. This assessment should assist in future environmental management decisions and in mitigating the impacts of Hg on the surrounding environment.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Multi-Temporal Predictive Modelling of Sorghum Biomass Using UAV-Based Hyperspectral and LiDAR Data

High-throughput phenotyping using high spatial, spectral, and temporal resolution remote sensing (RS) data has become a critical part of the plant breeding chain focused on reducing the time and cost of the selection process for the “best” genotypes with respect to the trait(s) of interest. In this paper, the potential of accurate and reliable sorghum biomass prediction using visible and near infrared (VNIR) and short-wave infrared (SWIR) hyperspectral data as well as light detection and ranging (LiDAR) data acquired by sensors mounted on UAV platforms is investigated. Predictive models are developed using classical regression-based machine learning methods for nine experiments conducted during the 2017 and 2018 growing seasons at the Agronomy Center for Research and Education (ACRE) at Purdue University, Indiana, USA. The impact of the regression method, data source, timing of RS and field-based biomass reference data acquisition, and the number of samples on the prediction results are investigated. R2 values for end-of-season biomass ranged from 0.64 to 0.89 for different experiments when features from all the data sources were included. Geometry-based features derived from the LiDAR point cloud to characterize plant structure and chemistry-based features extracted from hyperspectral data provided the most accurate predictions. Evaluation of the impact of the time of data acquisition during the growing season on the prediction results indicated that although the most accurate and reliable predictions of final biomass were achieved using remotely sensed data from mid-season to end-of-season, predictions in mid-season provided adequate results to differentiate between promising varieties for selection. The analysis of variance (ANOVA) of the accuracies of the predictive models showed that both the data source and regression method are important factors for a reliable prediction; however, the data source was more important with 69% significance, versus 28% significance for the regression method.

09 BIOMASS FUELS↗