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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 73 records · Page 4

A Non-Invasive Approach for Elucidating the Spatial Distribution of In Situ Stress in Deep Subsurface Geologic Formations Considered for CO 2 Storage (Task 2 Report Extracting Stress Data from Seismic Data)

This report describes research accomplishments achieved with funding provided through Department of Energy (DOE) Contract DE-FE0031686. The purpose of this DOE funding is to develop methods that can provide key information about stress fields that act on deep rocks without invading the earth to acquire that information. The research objective was to demonstrate methods that extract the azimuth directions of SHmax and SHmin stress in deep rocks from traditional seismic reflection data like the data that are used to explore for deep oil and gas reservoirs. Battelle performed two seismic investigations and achieved estimates of SHmax and SHmin azimuths in both efforts that agreed with local, non-seismic, ground-truth measurements of SHmax orientation. The first procedure utilized vertical seismic profiling (VSP) data; the second effort utilized three-dimensional (3D) seismic data.

58 GEOSCIENCES↗

Noninvasive aortic bloodflow by Pulsed Doppler Echocardiography (PDE) compared to cardiac output by the direct Fick procedure

Left ventricular stroke volume was estimated from the systolic velocity integral in the ascending aorta by pulsed Doppler Echocardiography (PDE) and the cross sectional area of the aorta estimated by M mode echocardiography on 15 patients with coronary disease undergoing right catheterization for diagnostic purposes. Cardiac output was calculated from stroke volume and heart volume using the PDE method as well as the Fick procedure for comparison. The mean value for the cardiac output via the PDE method (4.42 L/min) was only 6% lower than for the cardiac output obtained from the Fick procedure (4.69 L/min) and the correlation between the two methods was excellent (r=0.967, p less than .01). The good agreement between the two methods demonstrates that the PDE technique offers a reliable noninvasive alternative for estimating cardiac output, requiring no active cooperation by the subject. It was concluded that the Doppler method is superior to the Fick method in that it provides beat by beat information on cardiac performance.

Source record↗

Damage Tolerance and Reliability of Turbine Engine Components

This report describes a formal method to quantify structural damage tolerance and reliability in the presence of a multitude of uncertainties in turbine engine components. The method is based at the material behavior level where primitive variables with their respective scatter ranges are used to describe behavior. Computational simulation is then used to propagate the uncertainties to the structural scale where damage tolerance and reliability are usually specified. Several sample cases are described to illustrate the effectiveness, versatility, and maturity of the method. Typical results from this method demonstrate that it is mature and that it can be used to probabilistically evaluate turbine engine structural components. It may be inferred from the results that the method is suitable for probabilistically predicting the remaining life in aging or deteriorating structures, for making strategic projections and plans, and for achieving better, cheaper, faster products that give competitive advantages in world markets.

Chamis, Christos C.↗

Probabilistic Methods for Structural Design and Reliability

This report describes a formal method to quantify structural damage tolerance and reliability in the presence of a multitude of uncertainties in turbine engine components. The method is based at the material behavior level where primitive variables with their respective scatter ranges are used to describe behavior. Computational simulation is then used to propagate the uncertainties to the structural scale where damage tolerance and reliability are usually specified. Several sample cases are described to illustrate the effectiveness, versatility, and maturity of the method. Typical results from this method demonstrate, that it is mature and that it can be used to probabilistically evaluate turbine engine structural components. It may be inferred from the results that the method is suitable for probabilistically predicting the remaining life in aging or in deteriorating structures, for making strategic projections and plans, and for achieving better, cheaper, faster products that give competitive advantages in world markets.

Chamis, Christos C.↗

Virtual Sensors: Using Data Mining Techniques to Efficiently Estimate Remote Sensing Spectra

Various instruments are used to create images of the Earth and other objects in the universe in a diverse set of wavelength bands with the aim of understanding natural phenomena. These instruments are sometimes built in a phased approach, with some measurement capabilities being added in later phases. In other cases, there may not be a planned increase in measurement capability, but technology may mature to the point that it offers new measurement capabilities that were not available before. In still other cases, detailed spectral measurements may be too costly to perform on a large sample. Thus, lower resolution instruments with lower associated cost may be used to take the majority of measurements. Higher resolution instruments, with a higher associated cost may be used to take only a small fraction of the measurements in a given area. Many applied science questions that are relevant to the remote sensing community need to be addressed by analyzing enormous amounts of data that were generated from instruments with disparate measurement capability. This paper addresses this problem by demonstrating methods to produce high accuracy estimates of spectra with an associated measure of uncertainty from data that is perhaps nonlinearly correlated with the spectra. In particular, we demonstrate multi-layer perceptrons (MLPs), Support Vector Machines (SVMs) with Radial Basis Function (RBF) kernels, and SVMs with Mixture Density Mercer Kernels (MDMK). We call this type of an estimator a Virtual Sensor because it predicts, with a measure of uncertainty, unmeasured spectral phenomena.

Srivastava, Ashok N.↗

Nonparametric Multiparticle Set Methods for Interpreting Environmental Samples

Collection and analysis of environmental samples is commonly used by a range of stakeholders in nuclear safeguards and security contexts. While the ubiquity of samples and their transport in the environment allow regular collection, developing and demonstrating methods for analyzing these samples is difficult. In this work, an environmental sample consists of a set of one or more individual particles. Recent advances in reactor simulation have allowed us to generate data that are more representative of real-world environmental samples, enabling statistically defensible method development and testing. The most notable of these advances is a drastic increase in the number of material depletion regions, which allows our simulations to capture the variation in isotopic composition seen at length scales consistent with environmental samples. Traditional approaches for handling multiparticle samples treat each particle in the sample individually, estimating the quantity of interest (e.g., core-average burnup) resulting from measurement and analysis of signatures (e.g., nuclide assays) from each individual particle. Individual estimates are then averaged to generate a single estimate of the quantity of interest over the entire sample. In this presentation, we introduce two novel approaches for interpreting environmental samples that comprise of multiple particles: (1) the Quantile-Quantile Comparator, which uses a multivariate generalization of quantile-quantile plots for comparing unknown statistical distributions, and (2) the Set Transformer, an attention-based neural network module designed to model interactions among elements (particles) in the input set (sample). Statistically representative sampling cannot be guaranteed as samples are passively collected and are beholden to what particles are available in the environment. These new analysis methods for set-input problems are expected to be more robust than traditional approaches to issues of sampling bias where particles are not uniformly distributed throughout regions of interest, as well as generally outperform traditional approaches by jointly considering all elements in the set. We will present results comparing the performance of traditional single particle approaches and the novel Quantile-Quantile Comparator and Set Transformer for interpretation of simulated environmental samples.

Phathanapirom, Birdy↗

Unsupervised multimodal fusion of in-process sensor data for advanced manufacturing process monitoring

Effective monitoring of manufacturing processes is crucial for maintaining product quality and operational efficiency. Modern manufacturing environments often generate vast amounts of complementary multimodal data, including visual imagery from various perspectives and resolutions, hyperspectral data, and machine health monitoring information such as actuator positions, accelerometer readings, and temperature measurements. However, fusing and interpreting this complex, high-dimensional data presents significant challenges, particularly when labeled datasets are unavailable or impractical to obtain. This paper presents a novel approach to multimodal sensor data fusion in manufacturing processes, inspired by the Contrastive Language-Image Pre-training (CLIP) model. We leverage contrastive learning techniques to correlate different data modalities without the need for labeled data, overcoming limitations of traditional supervised machine learning methods in manufacturing contexts. Our proposed method demonstrates the ability to handle and learn encoders for five distinct modalities: visual imagery, audio signals, laser position (x and y coordinates), and laser power measurements. By compressing these high-dimensional datasets into low-dimensional representational spaces, our approach facilitates downstream tasks such as process control, anomaly detection, and quality assurance. The unsupervised nature of our method makes it broadly applicable across various manufacturing domains, where large volumes of unlabeled sensor data are common. We evaluate the effectiveness of our approach through a series of experiments, demonstrating its potential to enhance process monitoring capabilities in advanced manufacturing systems. This research contributes to the field of smart manufacturing by providing a flexible, scalable framework for multimodal data fusion that can adapt to diverse manufacturing environments and sensor configurations. The proposed method paves the way for more robust, data-driven decision-making in complex manufacturing processes.

Contrastive Learning↗

Elastic Changepoint Detection for Globally-indexed Functional Time Series Data with Climate Applications

Changepoint detection is a vital tool in the application of climate data analysis. Numerous types of climate observation data are most properly represented by functional time series, implying a need for accurate changepoint detection methods applicable to functional time series data. Such data taken at a global scale often contain both spatial heterogeneity and dependence as well as phase (time) misalignment. In this report, we present methods which can detect spatially-dependent changepoints while allowing different estimates of change time and change strength depending on location. Additionally, we provide extensions to this spatially-predicted model which controls for phase variability among observations. Our methods provide the ability to detect a single change, or control for epidemic changes (where a “return-to-normal” change is more likely to be detected than the initial change). We showcase results analyzing the June 1991 eruption of Mt. Pinatubo, where our methods demonstrate the ability to accurately detect both single and epidemic changepoints even in the presence of strong seasonal variability. We find that our spatially-predicted model improves the detection of relevant changepoints versus methods which do not take spatial information into account, and we find that controlling for phase variability helps to control the false discovery rate during the detection process.

54 ENVIRONMENTAL SCIENCES↗

The software-cycle model for re-engineering and reuse

This paper reports on the progress of a study which will contribute to our ability to perform high-level, component-based programming by describing means to obtain useful components, methods for the configuration and integration of those components, and an underlying economic model of the costs and benefits associated with this approach to reuse. One goal of the study is to develop and demonstrate methods to recover reusable components from domain-specific software through a combination of tools, to perform the identification, extraction, and re-engineering of components, and domain experts, to direct the applications of those tools. A second goal of the study is to enable the reuse of those components by identifying techniques for configuring and recombining the re-engineered software. This component-recovery or software-cycle model addresses not only the selection and re-engineering of components, but also their recombination into new programs. Once a model of reuse activities has been developed, the quantification of the costs and benefits of various reuse options will enable the development of an adaptable economic model of reuse, which is the principal goal of the overall study. This paper reports on the conception of the software-cycle model and on several supporting techniques of software recovery, measurement, and reuse which will lead to the development of the desired economic model.

Bailey, John W.↗

Robust Spectral Anomaly Detection in EELS Spectral Images via 3D Convolutional Variational Autoencoders

Abstract A 3D Convolutional Variational Autoencoder (3D‐CVAE) is introduced for automated anomaly detection in electron energy‐loss spectroscopy spectrum imaging (EELS‐SI) data. This approach leverages the full 3D structure of EELS‐SI data to detect subtle spectral anomalies while preserving both spatial and spectral correlations across the datacube. By employing cross‐entropy loss and training on bulk spectra, the model learns to reconstruct bulk features characteristic of the defect‐free material. In exploring methods for anomaly detection, both the 3D‐CVAE approach and principal component analysis (PCA) are evaluated, testing their performance using FeL‐edge ΔEpeak shifts designed to simulate material defects. These results show that 3D‐CVAE achieves superior anomaly detection and maintains consistent performance across various shift magnitudes. The method demonstrates clear bimodal separation between bulk and anomalous spectra, enabling reliable classification. Further analysis verifies that lower‐dimensional representations are robust to anomalies in the data. While performance advantages over PCA diminish with decreasing anomaly concentration, our method maintains high reconstruction quality even in challenging, noise‐dominated spectral regions. This approach provides a robust framework for unsupervised automated detection of spectral anomalies in EELS‐SI data, particularly valuable for analyzing complex material systems.

Chemistry↗

Application of Weak-Beam Dark-Field STEM for Dislocation Loop Analysis

Nanoscale dislocation loops formed by irradiation can significantly contribute to both irradiation hardening and embrittlement of materials when subjected to extreme nuclear reactor environments. Here, this study explores the application of weak-beam dark-field (WBDF) scanning transmission electron microscopy (STEM) methods for quantitative irradiation-induced defect analysis in crystalline materials, with a specific focus on dislocation loop imaging and analysis. A high-purity Fe-5 wt% Cr model alloy was irradiated with 8 MeV Fe 2+ ions at 450°C to a fluence of 8.8 × 10 19 m -2 , inducing dislocation loops for analysis. While transmission electron microscopy (TEM) has traditionally been the primary tool for dislocation imaging, recent advancements in STEM technology have reignited interest in using STEM for defect imaging. This study introduces and compares three WBDF STEM methods, demonstrating their effectiveness in suppressing background contrasts, isolating defect information for dislocation loop type classification, providing finer dislocation line images for small loop analysis, and presenting inside–outside contrast for identifying loop nature. Experimental findings indicate that WBDF STEM methods surpass traditional TEM approaches, yielding clearer and more detailed images of dislocation loops. The study concludes by discussing the potential applications of WBDF STEM techniques in defect analysis, emphasizing their adaptability across various material systems beyond nuclear materials.

36 MATERIALS SCIENCE↗

Hydrogen Analysis by Gas Chromatography–Mass Spectrometry

The detection of hydrogen in complex gas mixtures is essential for many applications. Conventional approaches such as gas chromatography (GC) with thermal conductivity detection (TCD) and residual gas analyzers (RGAs) face significant limitations: TCD exhibits poor response when helium is used as a carrier gas, whereas RGAs lack chromatographic separation, preventing reliable quantification of hydrogen because of interference from other species. Traditional GC methods rely on dual-column configurations with packed or molecular-sieve porous layer open tubular (PLOT) columns to separate hydrogen from O2, N2, CO, CO2, CH4, and other hydrocarbons, increasing system complexity and limiting compatibility with mass spectrometry (MS) detection. In this work, we developed and validated a robust GC–MS method capable of directly detecting and quantifying hydrogen using electron ionization (EI) without dopants, reagent gases, or ion–molecule reaction schemes. By integrating a modified EI source and a cryogenically cooled single capillary column configuration, we achieved baseline separation of hydrogen from all major permanent gases and hydrocarbons in a refinery gas mixture using helium as the carrier gas. The method demonstrated excellent linearity, high sensitivity, and exceptional reproducibility. Adjustable sample-loop volumes and split ratios enabled optimization of peak shape and signal-to-noise performance for trace-level and percent-level hydrogen concentrations. Beyond hydrogen quantitation, the method provides simultaneous compositional profiling of other gases in a mixture in a single run, making it valuable for a wide range of tasks.

Lobodin, Vlad [ORNL]↗

Reducing Operator Complexity of Galerkin Coarse-grid Operators with Machine Learning

Here, we propose a data-driven and machine-learning-based approach to compute non-Galerkin coarse-grid operators in multigrid (MG) methods, addressing the well-known issue of increasing operator complexity. Guided by the MG theory on spectrally equivalent coarse-grid operators, we have developed novel machine learning algorithms that utilize neural networks combined with smooth test vectors from multigrid eigenvalue problems. The proposed method demonstrates promise in reducing the complexity of coarse-grid operators while maintaining overall MG convergence for solving parametric partial differential equation problems. Numerical experiments on anisotropic rotated Laplacian and linear elasticity problems are provided to showcase the performance and comparison with existing methods for computing non-Galerkin coarse-grid operators.

97 MATHEMATICS AND COMPUTING↗

ESI-MS Identification of the Cationic Phosphine-Ligated Gold Clusters Au1-Au22: Insight into the Gold-Ligand Ratio and Abundance of Larger Clusters

Triphenylphosphine (PPh3)-ligated gold clusters offer promising potential applications due to their relative ease of synthesis and usefulness in forming advanced cluster architectures. While previous studies reported cationic PPh3-ligated gold clusters with core sizes of Au1 - Au4, Au6 - Au11, and Au¬13 - Au14, there has not been definitive identification by mass spectrometry of larger clusters in the Au12 - Au25¬ range. Herein, we survey a polydisperse solution of cationic PPh3-ligated gold clusters using high mass-resolution (M/?M = 60,000) electrospray ionization mass spectrometry (ESI-MS). To improve the sensitivity and mass resolution of larger clusters for unambiguous identification, we increased the number of scan averages and reduced the range of mass collection windows to 200 m/z, thereby mitigating potential mass and ion abundance bias resulting from smaller “building block” gold clusters and other solution components present in higher abundance. In addition to the previously reported clusters, we identified several new species including Au5(PPh3)5+, Au12(PPh3)9HCl2+, Au15(PPh3)9Cl2+, Au16(PPh3)10Cl22+, Au17(PPh3)113+, Au18(PPh3)102+, Au19(PPh3)10Cl2+, Au20(PPh3)12H33+, Au21(PPh3)10Cl2+, and Au22(PPh3)10Cl22+, indicating that a full range of clusters between Au1 - Au22 may be observed in a single polydisperse solution. Considering all of the observed clusters, our findings provide evidence that the “magic number” icosahedral Au13 may be the transition point in cluster growth between smaller clusters, exhibiting a 1:1 gold-to-ligand ratio, and larger clusters, wherein subsequent gold atoms are added to the core without an equal number of accompanying ligands. Our method demonstrates that reducing the range of m/z collection windows and increasing the number of scan averages can improve instrument sensitivity for cationic gold clusters and enable a more complete survey of polydisperse solutions, thereby providing new insights to guide and validate the results of other characterization methods and theoretical calculations. This work was supported by the US Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. MH acknowledges support from the DOE Science Undergraduate Laboratory Internship (SULI) program. HH acknowledges support from the DOE Office of Workforce Development for Teachers and Scientist (WDTS) under the Visiting Faculty Program (VFP). This work was performed using EMSL, a national scientific user facility sponsored by the DOE's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory (PNNL). PNNL is a multiprogram national laboratory operated for DOE by Battelle.

Hewitt, Michael↗

Quantification and prediction of solidification textures under additive manufacturing conditions

Crystallographic textures are a major determinant of the macroscale anisotropic properties of polycrystalline metallic alloys produced in a wide range of additive manufacturing (AM) processes. Here, we introduce a statistical method that can accurately quantify the degree of orientational order of textures despite the large random fluctuations in the orientation of individual grains inherent in AM processes. The method, demonstrated for laser and resolidification of AlSi thin films, extends Z-scoring to a dynamical regime to assess the statistical significance of observed textures compared to randomly generated ones at different stages of solidification. We further show that, combined with phase-field modeling, this method can be used to infer fundamental anisotropic properties of the solid-liquid interface that are essential for texture prediction, and are compared here to the results of atomistic simulations. In addition, phase-field modeling reveals that, even at rapid AM solidification rates, the observed 〈110〉-dominated textures in the AlSi thin films are controlled predominantly by the anisotropy of the interface free-energy and sheds light on the physical mechanism of grain competition. These results significantly enhance both the existing tools for the quantification and prediction of AM crystallographic textures and our basic understanding of their formation.

36 MATERIALS SCIENCE↗

Wireless Patch Antenna Characterization for Live Health Monitoring Using Machine Learning

Temperature monitoring in extreme environments, such as coal-fired power plants, was addressed by designing and testing wireless patch antennas for use in machine learning-aided temperature estimation. The sensors were designed to monitor the temperature and health of boiler systems. Wireless interrogation of the sensor was performed using a Vector Network Analyzer (VNA) and a pair of interrogation antennas to capture resonance behavior under varying thermal and spatial conditions with sensitivities ranging from 0.052 to 0.20 $\frac{𝑀𝐻𝑧}{°C}$. Sensor calibration was conducted using a Long Short-Term Memory (LSTM) model, which leveraged temporal patterns to account for hysteresis effects. The calibration method demonstrated improved performance when combined with an LSTM model, achieving up to a 76% improvement in temperature estimation error when compared with Linear Regression (LR). The experiments highlighted an innovative solution for patch antenna-based non-contact temperature measurement, which addresses limitations with conventional methods such as RFID-based systems, infrared, and thermocouples.

20 FOSSIL-FUELED POWER PLANTS↗

Identifying and Analyzing Uncertainty Structures in the TRMM Microwave Imager Precipitation Product over Tropical Ocean Basins

Despite continuous improvements in microwave sensors and retrieval algorithms, our understanding of precipitation uncertainty is quite limited, due primarily to inconsistent findings in studies that compare satellite estimates to in situ observations over different parts of the world. This study seeks to characterize the temporal and spatial properties of uncertainty in the Tropical Rainfall Measuring Mission Microwave Imager surface rainfall product over tropical ocean basins. Two uncertainty analysis frameworks are introduced to qualitatively evaluate the properties of uncertainty under a hierarchy of spatiotemporal data resolutions. The first framework (i.e. 'climate method') demonstrates that, apart from random errors and regionally dependent biases, a large component of the overall precipitation uncertainty is manifested in cyclical patterns that are closely related to large-scale atmospheric modes of variability. By estimating the magnitudes of major uncertainty sources independently, the climate method is able to explain 45-88% of the monthly uncertainty variability. The percentage is largely resolution dependent (with the lowest percentage explained associated with a 1 deg x 1 deg spatial/1 month temporal resolution, and highest associated with a 3 deg x 3 deg spatial/3 month temporal resolution). The second framework (i.e. 'weather method') explains regional mean precipitation uncertainty as a summation of uncertainties associated with individual precipitation systems. By further assuming that self-similar recurring precipitation systems yield qualitatively comparable precipitation uncertainties, the weather method can consistently resolve about 50 % of the daily uncertainty variability, with only limited dependence on the regions of interest.

Climate↗

Representing DC-Coupled PV+Battery Hybrids in a Capacity Expansion Model

Recent technology cost and performance improvements and the federal investment tax credit (ITC) have driven growing interest in coupling solar photovoltaic (PV) and battery systems. Combining these technologies into co-located or hybridized PV+battery systems has the potential to lower costs and increase energy output relative to multiple independent systems. In this work, we provide an overview of PV+battery systems and demonstrate methods for incorporating them into NREL’s Regional Energy Deployment System (ReEDS) capacity expansion model. Although the methods are applied to a specific model, we anticipate that the approaches used here can be useful for informing PV+battery method development for other capacity expansion models. The implemented method relies heavily on the native representations of PV and battery technologies; therefore, the focus of this work is on capturing and parameterizing the interactions between them for a configuration in which the PV and battery technologies share a single bi-directional inverter. This work also demonstrates the impacts of including PV+battery systems in the ReEDS optimization for the conterminous United States through 2050. In particular, we perform parametric sensitivities for input assumptions that are uncertain and expected to influence PV+battery deployment levels, including (a) the cost of PV+battery systems relative to independent PV and battery systems, (b) the battery component’s qualification for the ITC, and (c) future cost trajectories for PV and battery systems. We find that PV+battery deployment could occur throughout the conterminous United States if there are cost savings associated with DC coupling PV and battery technologies. If even modest (5%) cost savings can be achieved (through a shared inverter and balance-of-system costs), then approximately one-third of utility-scale PV deployment through 2050 adopts the DC-coupled hybrid configuration, resulting in total PV+battery deployment that exceeds the magnitude of PV+battery projects in U.S. interconnection queues in 2020. If greater cost savings can be achieved through DC coupling (e.g., due to a growing amount of shared balance-of-system costs, reduced financial risk, or modularity) or more rapid cost and performance improvements are realized for PV and battery technologies, then total PV+battery deployment and the share of PV and battery deployment that adopts the hybrid configuration grows (to >50%). In all cases, growing PV+battery deployment primarily displaces independent PV and battery technologies, indicating the strong competition between the hybrid and independent configurations comprising technologies with similar performance characteristics.

14 SOLAR ENERGY↗