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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 955 records · Page 53
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Delamination-informed lifecycle decisions: A dielectric and machine learning framework for composite sorting and recycling

Composite materials are widely used in aerospace, marine, and automotive sectors due to their high strength-to-weight ratio and durability. However, their long-term reliability can be compromised by damage accumulation. Specifically, delamination initiation serves as a precursor to structural failure, which is often difficult to detect during damage inspection. Identifying and sorting delamination initiation in samples not only increases operational safety while providing critical information for end-of-life decisions, which influences both the service life extension value and the efficiency of fiber extraction during recycling. This research addresses two challenges: (1) developing a nondestructive, ex-situ framework to sort composite materials based on damage severity, particularly delamination, and (2) understanding how damage in composites influences resin removal during pyrolysis. Both experimental work and finite element analysis were performed to predict critical stress levels that are associated with delamination onset. Based on these results, three loading levels 50 %, 75 %, and 90 % of maximum stress, were selected for controlled experiments, generating composite samples with varying extents of damage for machine learning model training. Microscopic imaging of these samples confirmed the damage progression from matrix cracking to delamination, validating the computational predictions. We explored supervised machine learning using dielectric measurements to classify damage states. Preliminary results show an artificial neural network can identify early delamination which is a potential precursor to failure, with 94.44 % accuracy on our dataset. A parallel investigation into the effect of damage severity on pyrolysis recycling showed that heavily delaminated samples required significantly less energy for comparable matrix removal than undamaged samples.

dielectric variables↗
DOE OSTI2024

Characterization of Fuel Cladding Chemical Interaction on a High Burnup U-10Zr Metallic Fuel via Electron Energy Loss Spectroscopy Enhanced by Machine Learning

Fuel cladding chemical interaction (FCCI) is one of the main performance limiting factors for metallic nuclear fuels. The interaction destabilizes the martensitic microstructure and deteriorates mechanical properties of HT-9 cladding. The detection of low atomic number elements (Z<10) and overlapping of elemental peaks can be problematic in interpreting energy dispersive X-ray spectroscopy (EDS) data. Electron energy loss spectroscopy (EELS) provides precise elemental edge energy values and can detect elements with a low atomic number. This work utilizes EELS to study the distribution of lanthanides and light elements at the interaction region. The sample was prepared from the FCCI region of a U-10Zr (wt.%) solid fuel with HT-9 cladding, irradiated to a burnup of 13.2 at.%. Processing the EELS data included three major steps: 1) enhance the signal to noise ratio by denoising the spectrum with principal component analysis (PCA) method, removing background and performing deconvolution; 2) identify chemical elements with core energy loss edges; 3) confirm different phases using a popular machine learning method, K-means. This work presents qualitative assessment of lanthanides and light elements like carbon (C) and oxygen (O) enhanced by the application of machine learning algorithms. By comparing with EDS elemental maps, EELS provides higher resolution chemical maps, reveals the distribution of carbon at the interaction region supporting the formation of zirconium carbide, a rind-like microstructure feature that was proposed to mitigate the chemical interaction. Furthermore, the plasmon peak map was also found to indicate an energy shift associated with the formation of phases/compounds. K-means clustering method was used on the processed electron energy loss (EEL) spectrum to automatically reveal different phases. The resulting clustered maps from K-means clustering align well with elemental maps confirming certain phases, especially Fe-Ce and Zr-C, in the FCCI region.

EELS↗
NASA NTRSDate not supplied

Detecting Satellite Laser Ranging Station Data and Operational Anomalies with Machine Learning Isolation Forests at NASA's CDDIS

The International Laser Ranging Service (ILRS) is currently composed of 45 active satellite laser ranging (SLR) stations with several more set to join the network over the next several years. Station changes and histories are logged to files, but not always in real time. Sometimes these details are not added until long after changes have been made to the station –on occasion, years later. This in addition to unexpected hardware errors and other system issues that are not immediately detected impact the products generated by analysts. The ILRS Central Bureau (CB) and NASA’s Crustal Dynamics Data Information System (CDDIS) have worked to provide tools for station engineers to use. This includes the creation of station plots which contain temperature and pressure information along with LAser GEOdynamic Satellite (LAGEOS) and LAser RElativity Satellite (LARES) tracking information that enable the monitoring of station performance and todetermine whether the station has undergone any changes. As next steps, the CDDIS is working to enhance these station performance monitoring tools through machine learning. Isolation forest is an unsupervised machine learning algorithm commonly applied to anomaly detection. In this poster, the CDDIS details the steps taken to track anomalies within SLR station performance using isolation forest with LAGEOS and LARES satellite data.

Benjamin P Michael↗
DOE OSTI2025

BatteryPro: A Python Toolkit for Battery Data Analysis and Machine Learning Predictions

Analyzing battery test data for research & development can be time-consuming since battery tests often run on the order of months to years, generating large volumes of data. BatteryPro is a comprehensive Python package and software designed to facilitate advanced analysis and performance predictions for battery test data. Developed for battery researchers, it supports data types from widely used battery testing instruments, including MACCOR and Biologic cycling systems. The software provides a variety of tools for extracting and plotting key battery parameters such as time, voltage, capacity, current, and pressure. In addition to its extensive data analysis capabilities, BatteryPro features a dedicated machine learning module that employs a Bayesian Gaussian Mixture Model (GMM) to predict battery performance and degradation. Users can generate synthetic capacity fade data, calculate fade metrics, and leverage predictive models to forecast long-term battery behavior. The software's graphical user interface (GUI) enhances usability, allowing researchers to upload, merge, and analyze multiple data files with full customizability. The GUI also supports machine learning predictions, enabling users to fit models and make predictions based on selected data and parameters. BatteryPro is built using QtDesigner, scikit-learn, matplotlib, and pandas, ensuring a high level of customization, flexibility, and accuracy in battery data analysis. This tool aims to empower researchers with the ability to perform detailed battery analysis and make informed predictions, ultimately advancing the field of battery research.

25 - ENERGY STORAGE↗
DOE OSTI2022

Physics-informed Bayesian machine learning case study: Integral blade rotors

This paper provides a physics-informed Bayesian machine learning (PIBML) description and case study. The PIBML approach applies three physics-based models to establish the initial beliefs before testing to determine the probability of milling stability (or prior). These include: receptance coupling substructure analysis (RCSA) prediction for the tool tip frequency response functions; finite element software prediction of the mechanistic force model coefficients; and a spindle speed-dependent power law model for process damping. Testing was then performed to identify optimal stable machining conditions using an expected improvement in material removal rate criterion. The prior probability of stability was updated using the test results to determine the posterior probability of stability. The test results were compared to the parameter recommendations provided by the endmill manufacturer. A demonstration integral blade rotor was machined at the optimal stable machining conditions for 304 stainless steel and 6061-T6 aluminum. Finally, the disagreement between manufacturer recommendations and milling performance in both materials tested emphasizes the need for broad implementation of PIBML approaches to increase machining productivity and efficiency.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Physics-Informed Machine Learning for Epidemiological Models

One challenge of using compartmental SEIR models for public health planning is the difficulty in manually tuning parameters to capture behavior reflected in the real-world data. This team conducted initial, exploratory analysis of a novel technique to use physics-informed machine learning tools to rapidly develop data-driven models for physical systems. This machine learning approach may be used to perform data assimilation of compartment models which account for unknown interactions between geospatial domains (i.e. diffusion processes coupling across neighborhoods/counties/states/etc.). Results presented here are early, proof-of-concept ideas that demonstrate initial success in using a physically informed neural network (PINN) model to assimilate data in a compartmental epidemiology model. The results demonstrate initial success and warrant further research and development.

60 APPLIED LIFE SCIENCES↗
NASA NTRSDate not supplied

Quantum Leap: Evaluating the Feasibility of Quantum Machine Learning Using NASA Earth Observational Data

This study explores the feasibility of leveraging quantum machine learning (QML) to analyze NASA Earth Observational (EO) data for climate change research, with a particular focus on the phenomenon of ”crop frosting” which has become more prevalent due to climate change. We implemented and evaluated two QML models, the Variational Quantum Classifier (VQC) and Quantum Support Vector Classifier (QSVC), in both simulated and real quantum computing environments using a 127 qubit IBM quantum processor. Our study emphasizes the scientific rigor in comparing these quantum models with a classical Support Vector Machine (SVM) classifier, highlighting their performance in processing climate data. The results offer valuable insights into the potential scientific advantages, limitations, and scalability of QML for analyzing EO datasets, thus paving the way for more advanced climate modeling and predictive analytics using quantum computing. We showcased how Environmental Interaction Knowledge Graphs (EIKGs) and Digital Twins (DTs) can be integrated into this study. This research underscores the transformative potential of Classical and QML leveraging KGs and DT to address the multifaceted challenges posed by climate change.

Quantum Computing↗
DOE OSTI2020

Machine learning for collective variable discovery and enhanced sampling in biomolecular simulation

Classical molecular dynamics simulates the time evolution of molecular systems through the phase space spanned by the positions and velocities of the constituent atoms. Molecular-level thermodynamic, kinetic, and structural data extracted from the resulting trajectories provide valuable information for the understanding, engineering, and design of biological and molecular materials. The cost of simulating many-body atomic systems makes simulations of large molecules prohibitively expensive, and the high-dimensionality of the resulting trajectories presents a challenge for analysis. Driven by advances in algorithms, hardware, and data availability, there has been a flare of interest in recent years in the applications of machine learning – especially deep learning – to molecular simulation. Furthermore, these techniques have demonstrated great power and flexibility in both extracting mechanistic understanding of the important nonlinear collective variables governing the dynamics of a molecular system, and in furnishing good low-dimensional system representations with which to perform enhanced sampling or develop long-timescale dynamical models. It is the purpose of this article to introduce the key machine learning approaches, describe how they are married with statistical mechanical theory into domain-specific tools, and detail applications of these approaches in understanding and accelerating biomolecular simulation.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

Open Power System Datasets and Open Simulation Engines: A Survey Toward Machine Learning Applications

A major factor behind the success of machine learning (ML) models in multiple domains is the availability and accessibility of large, labeled, and well-organized datasets for training and benchmarking. In comparison, power grid datasets face three major challenges: (i) real-world data is often restricted by regulatory constraints, privacy reasons, or security concerns, making it difficult to obtain and work with; (ii) synthetic datasets, which are created to address these limitations, often have incomplete information and are released using specialized tools, making them inaccessible to the broader community; and, (iii) input-output datasets are difficult to generate through simulation for non-experts because open-source simulators are not known outside the power system community. This survey addresses these challenges by serving as an entry point to publicly available datasets and simulators for researchers venturing in this area. We review the current landscape of open-source power network data, machine models, consumer demand profiles, renewable generation data, and inverter models. We also examine open-source power system simulators, which are crucial for generating high-quality, high-fidelity power grid datasets. We aim to provide a foundation for overcoming data scarcity and advance towards a structured web of datasets and simulators to support the development of ML for power systems.

42 ENGINEERING↗
DOE OSTI2021

Can Simple Machine Learning Tools Extend and Improve Temperature-Based Methods to Infer Streambed Flux?

Temperature-based methods have been developed to infer 1D vertical exchange flux between a stream and the subsurface. Current analyses rely on fitting physically based analytical and numerical models to temperature time series measured at multiple depths to infer daily average flux. These methods have seen wide use in hydrologic science despite strong simplifying assumptions including a lack of consideration of model structural error or the impacts of multidimensional flow or the impacts of transient streambed hydraulic properties. We performed a “perfect-model experiment” investigation to examine whether regression trees, with and without gradient boosting, can extract sufficient information from model-generated subsurface temperature time series, with and without added measurement error, to infer the corresponding exchange flux time series at the streambed surface. Using model-generated, synthetic data allowed us to assess the basic limitations to the use of machine learning; further examination of real data is only warranted if the method can be shown to perform well under these ideal conditions. We also examined whether the inherent feature importance analyses of tree-based machine learning methods can be used to optimize monitoring networks for exchange flux inference.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2021

A Machine Learning Approach to Objective Identification of Dust in Satellite Imagery

Airborne dust has broad adverse effects on human activity, including aviation, human health, and agriculture. Remote sensing observations are used to detect dust and aerosols in the atmosphere using long established techniques. False color Red-Green-Blue (RGB) imagery using band differences sensitive to dust absorption (Dust RGB) is currently used operationally to assist forecasters and decision-makers in identifying dust at night, but there are still limitations, subjectivity, and nuances to image interpretation making night-time dust identification difficult even for experts. This study applies machine learning to the problem of night-time dust detection with a simple random forest (RF) model using Geostationary Operational Environmental Satellite-16 (GOES-16) Advanced Baseline Imager (ABI) infrared imagery, band differences sensitive to dust absorption, and Dust RGB color components as inputs to the model. The RF model achieves an Area-Under-Curve (AUC) of 0.97 with a standard deviation of 0.04 for dust cases. For images with dust present, the model correctly labels 85% of dust pixels and 99.96% of no-dust pixels for all dust images in the validation data set. The addition of a single null case to the training data set drastically reduces error in labeling no-dust pixels as dust from 45% to 14.5%. Application of the machine learning model to the April 13–14, 2019 dust event demonstrates the ability of the model to identify dust during night-time hours when visual dust detection is limited by the cooling ground surface characteristics.

dust↗
DOE OSTI2025

Machine learning informed rational design of high entropy double perovskite oxide universal air/steam electrodes for solid oxide electrochemical cells

Due to their high efficiency and versatility, solid oxide electrochemical cells (SOCs) are poised to play a significant role in future energy conversion and storage applications. In recent years, SOCs have bifurcated into two distinct categories: traditional oxygen-ion conducting SOCs that typically operate from ∼650—850 °C and the more recent proton-conducting ceramic (PCC) SOCs that typically operate from ∼400—650 °C. Current performance and lifetime of both oxygen-ion conducting SOCs and PCCs is primarily limited by the air/steam electrode, which facilitates the oxygen reduction reaction (ORR) during fuel cell operation and must also facilitate the oxygen evolution reaction (OER) during electrolysis operation. Here, we present a newly designed high-entropy double perovskite oxide suitable as a universal ORR/OER electrode for both oxygen-ion conducting SOCs and PCCs. Machine learning methods are applied to identify chemical descriptors for highly catalytic high-entropy double perovskite oxides (AA’B 2 O 6 ) across a large compositional space. Based on the machine-learning guidance, we ultimately converge on Ba 0.9 Cs 0.1 (Ca 0.2 Gd 0.2 La 0.2 Pr 0.2 Sr 0.2 )Co 1.5 Fe 0.5 O 6 (CsBaHEO) as a universal air/steam electrode. Structure stabilization is accomplished by an equimolar five-cation high-entropy composition on the A’-site, while cesium substitution on the A-site enhances the electrical conductivity and leads to a higher oxygen vacancy concentration. This material exhibits versatility and high performance in reversible oxygen-ion SOCs, reversible PCCs, and also large-scale tubular PCCs. For example, the CsBaHEO-based PCC reaches 1018 mW∙cm −2 at 600°C, while a large-scale tubular PCC using CsBaHEO for electrolysis achieves a hydrogen production rate of 21.314 ML∙min −1 at 600 °C.

Cell↗
DOE OSTI2022

Insights into the origin of halo mass profiles from machine learning

ABSTRACT The mass distribution of dark matter haloes is the result of the hierarchical growth of initial density perturbations through mass accretion and mergers. We use an interpretable machine-learning framework to provide physical insights into the origin of the spherically-averaged mass profile of dark matter haloes. We train a gradient-boosted-trees algorithm to predict the final mass profiles of cluster-sized haloes, and measure the importance of the different inputs provided to the algorithm. We find two primary scales in the initial conditions (ICs) that impact the final mass profile: the density at approximately the scale of the haloes’ Lagrangian patch RL ($R\sim 0.7\, R_L$) and that in the large-scale environment (R ∼ 1.7 RL). The model also identifies three primary time-scales in the halo assembly history that affect the final profile: (i) the formation time of the virialized, collapsed material inside the halo, (ii) the dynamical time, which captures the dynamically unrelaxed, infalling component of the halo over its first orbit, (iii) a third, most recent time-scale, which captures the impact on the outer profile of recent massive merger events. While the inner profile retains memory of the ICs, this information alone is insufficient to yield accurate predictions for the outer profile. As we add information about the haloes’ mass accretion history, we find a significant improvement in the predicted profiles at all radii. Our machine-learning framework provides novel insights into the role of the ICs and the mass assembly history in determining the final mass profile of cluster-sized haloes.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

An Assessment of Machine Learning Applied to Ultrasonic Nondestructive Evaluation

In the United States, the nuclear industry performs inservice inspection (ISI) through nondestructive examination (NDE) methods in accordance with guidelines specified in the American Society of Mechanical Engineers (ASME) Boiler and Pressure Vessel Code (BPVC), Section XI, Rules for Inservice Inspection of Nuclear Power Plant Components. Ultrasonic nondestructive testing and evaluation (NDT&E) is one of the more commonly used techniques for inspecting Class 1 structural components in nuclear power systems. As the number of qualified NDE inspectors declines, the nuclear industry is looking to take advantage of advances in automation to enhance inspection capabilities. Advances in computational power, cloud-based computing, and machine learning algorithms make automated data analysis possible. Machine learning (ML) has shown huge potential in automated data analyses for ultrasonic NDE in the context of weld inspections.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Use of Sensors and Machine Learning for Signal Discovery in a Solvent Extraction Process

Reprocessing is an important step in the nuclear fuel cycle where usable nuclear materials are extracted from used fuel for recycling. The separation of materials for reuse simultaneously reduces not only the volume of nuclear waste, but its decay time to radioactivity levels similar to that of the originating uranium ore. As part of an initiative to steward research, development, and innovation into the nuclear fuel cycle, Idaho National Laboratory is designing and constructing a solvent extraction testbed named Beartooth. This testbed will allow researchers to refine separation processes, test innovative extraction processes, and give early career scientists opportunities to gain skills in performing separations chemistry utilizing centrifugal contactors. In addition, the Beartooth testbed is being uniquely designed to enable novel technologies including machine learning capabilities for the characterization of chemical process operations in near real-time. To aid in the design of Beartooth, a team of researchers are installing a variety of atypical sensors into a system of contactors for signal discovery. The team will implement machine learning methods on acquired sensor data to extract signal features. The goal is to provide a process operator with a deeper understanding of the chemical process and equipment usage. This work will summarize sensors utilized and preliminary results from an infrared camera.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Using machine learning to predict the correlation of spectra using SDSS magnitudes as an improvement to the Locus Algorithm

The Locus Algorithm is a new technique to improve the quality of differential photometry by optimising the choices of reference stars. At the heart of this algorithm is a routine to assess how good each potential reference star is by comparing its SDSS magnitude values to those of the target star. In this way, the difference in wavelength-dependent effects of the Earth’s atmospheric scattering between target and reference can be minimised. This paper sets out a new way to estimate the quality of each reference star using machine learning. A random subset of stars from SDSS with spectra was chosen. For each one, a suitable reference star, also with a spectrum, was chosen. The correlation between the two spectra in the SDSS r band (between 550 nm and 700 nm) was taken to be the gold-standard measure of how well they match up for differential photometry. The five SDSS magnitude values for each of these stars were used as predictors. A number of supervised machine learning models were constructed on a training set of the stars and were each evaluated on a testing set. The model using Support Vector Regression had the best performance of these models. It was then tested on a final, hold-out, validation set of stars to get an unbiased measure of its performance. With an R 2 of 0.62, the SVR model presents enhanced performance for the Locus Algorithm technique.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Use of Sensors and Machine Learning for Signal Discovery in a Solvent Extraction Process – 23280

Reprocessing is an important step in the nuclear fuel cycle where usable nuclear materials are extracted from spent fuel for recycling. The extraction of materials for reuse simultaneously reduces not only the volume of nuclear waste, but its decay time to radioactivity levels similar to that of the originating uranium ore. As part of an initiative to steward research, development, and innovation into the nuclear fuel cycle, Idaho National Laboratory is designing and constructing a solvent extraction testbed named Beartooth. Beartooth will allow researchers to refine extraction processes, test innovative extraction processes, and give early career scientists opportunities to gain skills in performing separations chemistry that uses centrifugal contactors. In addition, the Beartooth testbed is being uniquely designed to enable novel technologies including machine learning capabilities for the characterization of chemical process operations in near real-time. To aid in the design of Beartooth, a team of researchers are installing a variety of atypical sensors into a system of contactors for signal discovery. The team will implement machine learning methods on sensor data to determine signal features with the goal of providing a process operator with a deeper understanding of the chemical process and equipment usage. This work will summarize sensors utilized and preliminary results from an infrared camera.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2026

Uncertainty-Aware Machine Learning for Small-Angle X-ray Scattering Analysis in Autonomous Experimentation

Small-angle X-ray scattering (SAXS) is a powerful high-throughput characterization tool for probing nanoscale structure in native sample environments, providing real-time morphological information such as nanoparticle size and shape during synthesis. However, automated SAXS data analysis for extracting meaningful structural parameters is non-trivial and remains a bottleneck in closed-loop experimentation towards autonomous materials discovery, which demands fast, reliable, and uncertainty-aware data analysis. Here, we develop a machine-learning approach for automated SAXS analysis tailored to closed-loop nanoparticle synthesis. A Random Forest (RF) regression model is trained on 100,000 synthetic SAXS curves generated from polydisperse spherical nanoparticles with realistic background contributions. Using normalized one-dimensional SAXS intensity profiles as input, the RF model directly predicts nanoparticle radius, size polydispersity, and background parameters, while the ensemble standard deviation across trees provides built-in uncertainty quantification (UQ). On synthetic data, we show that combining fit-quality metrics (R 2 , MAE) with thresholds on prediction uncertainty reliably identifies accurate parameter estimates without access to ground truth. We then apply the trained model to 365 experimental SAXS profiles of citrate-reduced gold nanoparticles synthesized using an automated droplet-flow microreactor with in situ SAXS at a synchrotron beamline, classifying the results into high- and low-confidence subsets based on UQ metrics. Finally, we integrate RF-based SAXS analysis into a simulated closed-loop optimization campaign using Gaussian process Bayesian optimization to minimize nanoparticle polydispersity, benchmarking against conventional automated Levenberg–Marquardt fitting. The RF-guided campaign exhibits substantially faster convergence and lower relative opportunity cost (∼0.07 vs ∼0.3), demonstrating that uncertainty-aware machine-learning SAXS analysis significantly enhances the efficiency and robustness of autonomous nanomaterials synthesis workflows.

Bayesian optimization↗