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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Explaining System-Level Prognostics with Established Machine Learning Methods

System-level prognostics is crucial for ensuring reliability and enabling predictive maintenance in complex systems with interconnected components. This study presents a framework that integrates data-driven methods to predict the remaining useful life (RUL) of a subsystem under multiple and concurrent faults within a nuclear power plant system with explainable artificial intelligence (XAI). A nuclear power plant (NPP) operation was simulated to model the degradation behavior of NPP components, and four machine learning models—Gradient Boosting Regressor (GBR), Support Vector Regressor (SVR), Fully Connected Neural Network (FCNN), and Long Short-Term Memory (LSTM)—were evaluated for prognostics with a novel system RUL parameter. The LSTM model demonstrated potential superior repeatability, while SHAP (SHapley Additive exPlanations) for explainability provided consistent and trustworthy global explanations. In contrast, LIME (Local Interpretable Model-agnostic Explanations) offered localized interpretability but showed reduced stability for sequential data. Key findings include the interplay between component-level degradation and system-wide performance, with LSTM effectively capturing these dynamics through sequence-level predictions. The XAI techniques enhanced transparency by identifying critical features influencing model predictions and aligning with domain knowledge. Furthermore, this framework has significant implications for improving trust and understanding in predictive maintenance, particularly in safety-critical industries like nuclear energy.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Interpretable, Extensible Linear Regression Model for Electron Density Prediction

This code allows us to generate a model to predict ground state electron densities directly from atomic structure thereby bypassing the need to perform direct DFT calculations. It is based on many body correlation descriptors defined in https://arxiv.org/abs/2004.14442 (IM release numbers: LLNL-JRNL- 808791 and LLNL-JRNL-840698). The code reads in electron densities, in CHGCAR format used by the DFT code VASP, calculates many-body correlation descriptors based on atoms surrounding a grid point and then uses linear regression to obtain the fitting parameters.

Kumar, Shashikant↗
DOE OSTI2024

When ancient numerical demons meet physics-informed machine learning: adjoint-based gradients for implicit differentiable modeling

Recent advances in differentiable modeling, a genre of physics-informed machine learning that trains neural networks (NNs) together with process-based equations, have shown promise in enhancing hydrological models' accuracy, interpretability, and knowledge-discovery potential. Current differentiable models are efficient for NN-based parameter regionalization, but the simple explicit numerical schemes paired with sequential calculations (operator splitting) can incur numerical errors whose impacts on models' representation power and learned parameters are not clear. Implicit schemes, however, cannot rely on automatic differentiation to calculate gradients due to potential issues of gradient vanishing and memory demand. Here we propose a “discretize-then-optimize” adjoint method to enable differentiable implicit numerical schemes for the first time for large-scale hydrological modeling. The adjoint model demonstrates comprehensively improved performance, with Kling–Gupta efficiency coefficients, peak-flow and low-flow metrics, and evapotranspiration that moderately surpass the already-competitive explicit model. Therefore, the previous sequential-calculation approach had a detrimental impact on the model's ability to represent hydrological dynamics. Furthermore, with a structural update that describes capillary rise, the adjoint model can better describe baseflow in arid regions and also produce low flows that outperform even pure machine learning methods such as long short-term memory networks. The adjoint model rectified some parameter distortions but did not alter spatial parameter distributions, demonstrating the robustness of regionalized parameterization. Despite higher computational expenses and modest improvements, the adjoint model's success removes the barrier for complex implicit schemes to enrich differentiable modeling in hydrology.

58 GEOSCIENCES↗
NASA NTRS1975

Radiation from a homogeneous sphere mounted on a waveguide aperture

The results of an experimental and theoretical study of the effects of placing a dielectric sphere over the aperture of a circular waveguide are presented. A dielectric sphere excited by a Huygens' source is used as the theoretical model to interpret the experimental results. Calculations based on this model show good overall agreement with experimental patterns and directivity measurements. It is concluded that dielectric loaded antennas such as the dielectric sphere excited by a waveguide can produce directivities in excess of that obtained by a uniformly illuminated aperture of the same cross section, particularly for dielectric objects with dimensions of two wavelengths or less. Measurements of the coupling between these antennas show that they, in general, are not as closely coupled as plain apertures without dielectric object loading.

Croswell, W. F.↗
NASA NTRS1981

Shaded computer graphic techniques for visualizing and interpreting analytic fluid flow models

Mathematical models which predict the behavior of fluid flow in different experiments are simulated using digital computers. The simulations predict values of parameters of the fluid flow (pressure, temperature and velocity vector) at many points in the fluid. Visualization of the spatial variation in the value of these parameters is important to comprehend and check the data generated, to identify the regions of interest in the flow, and for effectively communicating information about the flow to others. The state of the art imaging techniques developed in the field of three dimensional shaded computer graphics is applied to visualization of fluid flow. Use of an imaging technique known as 'SCAN' for visualizing fluid flow, is studied and the results are presented.

Parke, F. I.↗
NASA NTRSDate not supplied

Capturing Complex Multivariate Time Series Interactions to Detect High-Risk Adverse Events During Flight

The reduction of aviation safety metrics below target thresholds continue to drive down the number of aviation fatalities and accidents. To meet future safety demands, sustained efforts by aviation agencies promoting safety assurance processes and systems have prompted ongoing research on identifying and mitigating in-flight risks. With the projected increase in passenger load factor and rollout of more autonomous systems into the national airspace, the need to detect high-risk events in-time or ahead-of-time is becoming increasingly crucial. New anomaly detection and precursor identification algorithms will need to scale to different airframes, levels of autonomy, and system complexity. While the pervasiveness of deep learning has resulted in the development of performant anomaly detection methods, these sophisticated models currently suffer from low end-user interpretability. Building off our previous work on identifying adverse events in multivariate flight data during descent, we propose a data-driven approach for detecting in-flight adverse events caused by the complex interplay of flight variables. Our approach utilizes ordinal patterns of important aircraft stability variables (e.g., airspeed and descent rate) to capture multivariate flight dynamics that can be used to predict the onset of unstable approaches, a high-risk adverse event that can occur during approach. Through the use of ordinal patterns, we aim to create more interpretable detection models of in-flight adverse events that can be translated to future autonomous systems without difficulty. Our analysis shows the presence of distinct ordinal pattern distributions that can be used to predict unstable approaches 1 minute ahead of time with an accuracy of 0.69 and a recall of 0.73 and 30 seconds ahead with an accuracy of 0.70 and a recall of 0.86.

Risk detection↗
NASA NTRSDate not supplied

Capturing Multivariate Time Series Interactions to Detect High‑Risk Instability During Approach

The reduction of aviation safety metrics below target thresholds continue to drive down the number of aviation fatalities and accidents. To meet future safety demands, sustained efforts by aviation agencies promoting safety assurance processes and systems have prompted ongoing research on identifying and mitigating in-flight risks. With the projected increase in passenger load factor and rollout of more autonomous systems into the national airspace, the need to detect high-risk events in-time or ahead-of-time is becoming increasingly crucial. New anomaly detection and precursor identification algorithms will need to scale to different airframes, levels of autonomy, and system complexity. While the pervasiveness of deep learning has resulted in the development of performant anomaly detection methods, these sophisticated models currently suffer from low end-user interpretability. Building off our previous work on identifying adverse events in multivariate flight data during descent, we propose a data-driven approach for detecting in-flight adverse events caused by the complex interplay of flight variables. Our approach utilizes ordinal patterns of important aircraft stability variables (e.g., airspeed and descent rate) to capture multivariate flight dynamics that can be used to predict the onset of unstable approaches, a high-risk adverse event that can occur during approach. Through the use of ordinal patterns, we aim to create more interpretable detection models of in-flight adverse events that can be translated to future autonomous systems without difficulty. Our analysis shows the presence of distinct ordinal pattern distributions that can be used to predict unstable approaches 1 minute ahead of time with an accuracy of 0.69 and a recall of 0.73 and 30 seconds ahead with an accuracy of 0.70 and a recall of 0.86.

Risk detection↗
DOE OSTI2026

A Data-Driven Method for Modeling Creep-Fatigue Stress- Strain Behavior Using Neural ODEs

In this paper, we introduce a data-driven machine learning approach for modeling one-dimensional stress–strain behavior under cyclic loading, utilizing experimental data from the nickel-based Alloy 617. The study employs uniaxial creep–fatigue test data acquired under various loading histories and compares two distinct neural network-based ODE models. The first model, known as the black-box model, comprehensively describes the strain–stress relationship using a Neural ODE equation. To interpret this black-box model, we apply the Sparse Identification of Nonlinear Dynamical Systems (SINDy) technique, transforming the black-box model into an equation-based model using symbolic regression. The second model, the Neural flow rule model, incorporates Hooke’s Law for the linear elastic component, with the nonlinear part characterized by a Neural ODE. Both models are trained with experimental data to accurately reflect the observed stress–strain behavior. We conduct a detailed comparison with the standard Chaboche model, which includes three back stresses. Our results demonstrate that the neural network-based ODE models precisely capture the experimental creep–fatigue mechanical behavior, exceeding the standard Chaboche model’s accuracy. Furthermore, an interpretable model derived from the black-box neural ODE model through symbolic regression achieves accuracy comparable to the Chaboche model, enhancing its interpretability. The results highlight the potential of neural network-based ODE models to depict complex creep–fatigue behavior, eliminating the necessity for experts to define a specific, material-focused model form.

creep-fatigue↗
DOE OSTI2021

The interpretation of temperature and salinity variables in numerical ocean model output and the calculation of heat fluxes and heat content

Abstract. The international Thermodynamic Equation of Seawater 2010 (TEOS-10) defined the enthalpy and entropy of seawater, thus enabling the global ocean heat content to be calculated as the volume integral of the product of in situ density, ρ, and potential enthalpy, h0 (with reference sea pressure of 0 dbar). In terms of Conservative Temperature, Θ, ocean heat content is the volume integral of ρcp0Θ, where cp0 is a constant “isobaric heat capacity”. However, many ocean models in the Coupled Model Intercomparison Project Phase 6 (CMIP6) as well as all models that contributed to earlier phases, such as CMIP5, CMIP3, CMIP2, and CMIP1, used EOS-80 (Equation of State – 1980) rather than the updated TEOS-10, so the question arises of how the salinity and temperature variables in these models should be physically interpreted, with a particular focus on comparison to TEOS-10-compliant observations. In this article we address how heat content, surface heat fluxes, and the meridional heat transport are best calculated using output from these models and how these quantities should be compared with those calculated from corresponding observations. We conclude that even though a model uses the EOS-80, which expects potential temperature as its input temperature, the most appropriate interpretation of the model's temperature variable is actually Conservative Temperature. This perhaps unexpected interpretation is needed to ensure that the air–sea heat flux that leaves and arrives in atmosphere and sea ice models is the same as that which arrives in and leaves the ocean model. We also show that the salinity variable carried by present TEOS-10-based models is Preformed Salinity, while the salinity variable of EOS-80-based models is also proportional to Preformed Salinity. These interpretations of the salinity and temperature variables in ocean models are an update on the comprehensive Griffies et al. (2016) paper that discusses the interpretation of many aspects of coupled Earth system models.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1993

Application of fuzzy set and Dempster-Shafer theory to organic geochemistry interpretation

An application of fuzzy sets and Dempster Shafter Theory (DST) in modeling the interpretational process of organic geochemistry data for predicting the level of maturities of oil and source rock samples is presented. This was accomplished by (1) representing linguistic imprecision and imprecision associated with experience by a fuzzy set theory, (2) capturing the probabilistic nature of imperfect evidences by a DST, and (3) combining multiple evidences by utilizing John Yen's generalized Dempster-Shafter Theory (GDST), which allows DST to deal with fuzzy information. The current prototype provides collective beliefs on the predicted levels of maturity by combining multiple evidences through GDST's rule of combination.

Kim, C. S.↗
DOE OSTI2018

Simulation of the 2003 Foss Barge - Point Wells Oil Spill: A Comparison between BLOSOM and GNOME Oil Spill Models

The Department of Energy’s (DOE’s) National Energy Technology Laboratory’s (NETL’s) Blowout and Spill Occurrence Model (BLOSOM), and the National Oceanic and Atmospheric Administration’s (NOAA’s) General NOAA Operational Modeling Environment (GNOME) are compared. Increasingly complex simulations are used to assess similarities and differences between the two models’ components. The simulations presented here are forced by ocean currents from a Finite Volume Community Ocean Model (FVCOM) implementation that has excellent skill in representing tidal motion, and with observed wind data that compensates for a coarse vertical ocean model resolution. The comprehensive comparison between GNOME and BLOSOM presented here, should aid modelers in interpreting their results. Beyond many similarities, aspects where both models are distinct are highlighted. Some suggestions for improvement are included, e.g., the inclusion of temporal interpolation of the forcing fields (BLOSOM) or the inclusion of a deflection angle option when parameterizing wind-driven processes (GNOME). Overall, GNOME and BLOSOM perform similarly, and are found to be complementary oil spill models. This paper also sheds light on what drove the historical Point Wells spill, and serves the additional purpose of being a learning resource for those interested in oil spill modeling. The increasingly complex approach used for the comparison is also used, in parallel, to illustrate the approach an oil spill modeler would typically follow when trying to hindcast or forecast an oil spill, including detailed technical information on basic aspects, like choosing a computational time step. We discuss our successful hindcast of the 2003 Point Wells oil spill that, to our knowledge, had remained unexplained. The oil spill models’ solutions are compared to the historical Point Wells’ oil trajectory, in time and space, as determined from overflight information. Our hindcast broadly replicates the correct locations at the correct times, using accurate tide and wind forcing. While the choice of wind coefficient we use is unconventional, a simplified analytic model supported by observations, suggests that it is justified under this study’s circumstances. We highlight some of the key oceanographic findings as they may relate to other oil spills, and to the regional oceanography of the Salish Sea, including recommendations for future studies.

42 ENGINEERING↗
NASA NTRS1992

Modeling Characteristics Of Surfaces For Radar Polarimetry

Paper reviews mathematical models of polarimetric radar backscattering characteristics of various types of terrain; forests, grasslands, and lava fields. Represents approach to imaging radar polarimetry in which one accumulates models predicting realistic polarization signatures and represent distinct scattering processes, without attempting full vector solutions of Maxwell's equations in all cases. Idea to develop ability to invert models to identify unknown terrain depicted in polarimetric radar images. Describes models, major scattering characteristics predicted by models, and interpretation of characteristics in terms of dominant scattering mechanisms. Models predict realistic polarization signatures.

Van Zyl, Jakob J.↗
DOE OSTI2022

A review of computing-based automated fault detection and diagnosis of heating, ventilation and air conditioning systems

We report faults in Heating, Ventilation, and Air Conditioning (HVAC) systems of buildings result in significant energy waste in building operation. With fast-growing sensing data availability and advancement in computing, computational modeling has demonstrated strong capability to detect and diagnose HVAC system faults, hence, ensuring efficient building operation. This paper comprehensively reviews the state-of-the-art computing-based fault detection and diagnosis (FDD) for HVAC systems. Overall, the reviewed computing-based FDD methods are classified as two major approaches: knowledge-based and data-driven approaches. We then identify multiple important topics, including data availability, training data size, data quality, approach generality, capability, interpretability, and required modeling efforts, along with corresponding metrics to summarize the most updated FDD development. Generally, the knowledge-based approaches are further divided as physics-based modeling, Diagnostic Bayesian Network, and performance indicator-based methods while data-driven approaches include supervised learning, unsupervised learning, and regression and statistics-based methods. State-of-the-art FDD development, remaining challenges, and future research directions are further discussed to push forward FDD in practice. Availability of fault data, capability of existing methods to deal with complex fault situations (such as simultaneous faults), modeling interpretability for data-driven methods, and required engineering efforts for physics-based methods are identified as remaining challenges in FDD development. Improving modeling fidelity and reducing modeling efforts are essential for applying physics-based methods in real buildings. Meanwhile, addressing fault data availability, increasing algorithm adaptability, and handling multiple faults are essential to further enhance the applicability of data-driven FDD approaches.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗