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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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Development of a neural network model for peeling–ballooning stability analysis in the KSTAR tokamak pedestals

The neural network model, MISHKA-NN is developed to mitigate the computational burden associated with the linear ideal magnetohydrodynamic (MHD) stability analysis of the pedestal based on the peeling–ballooning (P–B) model. By utilizing both 1D plasma profiles (current density, pressure gradient, and safety factor) and 0D parameters (plasma geometry, total current, and toroidal mode number), the model predicts linear growth rate of edge-localized ideal MHD instability in a given equilibrium state. By enabling the prediction of each instability within a second, the model reduces the time required for plotting a pedestal P–B stability diagram (j - α diagram) from approximately 100 CPU hours to a few CPU minutes. Notably, even with the utilization of parametric pressure and current profiles and plasma boundary shapes for the training dataset, the model shows a satisfactory level of performance in benchmarking the j - α diagram for the reconstructed equilibrium from a KSTAR tokamak experiment. We anticipate the model to serve as a versatile alternative to 2D linear MHD stability codes, alleviating numerical costs.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Graph neural networks for CO 2 solubility predictions in Deep Eutectic Solvents

Deep Eutectic Solvents (DESs) are a promising class of solvents for CO 2 capture. DESs are complex mixtures that can be designed to optimize CO solubility and overall capture process efficiency. However, the vast design landscape of DES mixtures makes experimental investigation prohibitive; as such, there is a need for computational models that can quickly and efficiently navigate the design space and inform data collection efforts. In this work, we propose Graph Neural Network (GNN) models for predicting CO 2 solubility for DESs; the GNN leverages a mixture graph representation that captures the molecular structure of the DES components as well as their intermolecular interactions. Here, we compare the GNN framework against alternative architectures (neural networks, graph convolution networks, and random forests) and data representations (molecular fingerprints, sigma profiles, and graphs). We show that the proposed approach offers superior predictive performance; specifically, we show that solubility can be predicted reliably directly from molecular structure (without the need of using sigma profiles as proposed in previous studies). This result is important, as obtaining sigma profiles requires expensive density functional theory computations. We also explored the ability of GNNs to predict solubility for new DES mixtures and operating conditions. We found that the model extrapolates across temperature reliably. However, we also found deficiencies in the ability of the model to predict solubility for DES mixtures, pressures, and molar ratio not included in the training sets; we show that this is due to an inherent lack of chemical diversity in datasets available in the literature. The proposed computational capabilities can thus help navigate the design space of DES and inform data collection efforts. Our models, data, and benchmarks are shared as Python code implemented in Jupyter notebooks.

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

Physics-Informed Neural Network (PINN) Prediction of Mixed Mass-Heat-Crystallization Limited Methane Hydrate Formation and Dissociation in Micro-Confinement

The creation and use of Physics-Informed Neural Networks (PINNs) for simulating the dynamics of methane hydrate formation and dissociation will be presented. The PINN framework's main benefit is its capacity to impose physical consistency with only a partial comprehension of the governing equations. This makes the algorithm especially useful for systems with little experimental evidence or a lack of theoretical knowledge. A strong basis for forecasting methane hydrate behavior over the verified operating ranges of 30.0-80.9 bar pressure and 1.0-4.0 K sub-cooling conditions is provided by the combination of conductive heat transfer equations and mixed mass-transfer–crystallization kinetics. PINNs were more accurate at predicting the mixed mass-heat-crystallization limited kinetics than conventional Artificial Neural Networks (ANNs), demonstrating remarkable predictive accuracy for methane hydrate production over the ANN model. The efficiency of incorporating physical limitations from first principles into machine learning frameworks for methane hydrate crystallizations is reinforced by these findings. For hydrate-related applications in energy generation, carbon sequestration, and climate modelling, our study establishes PINNs as a computational tool that is both scalable and efficient. The proven capacity to close the gap between conventional physics-based simulations and solely data-driven models creates new opportunities for expedited hydrate research and practical applications.

Hartman, Ryan L [NYU Tandon School of Engineering]↗
DOE OSTI2024

Neural network emulation of spontaneous fission

Large-scale computations of fission properties are an important ingredient for nuclear reaction network calculations simulating rapid neutron-capture process (the 𝑟 process) nucleosynthesis. Due to the large number of fissioning nuclei potentially contributing to the 𝑟 process, a microscopic description of fission based on nuclear density functional theory (DFT) is computationally challenging. Here, we explore the use of neural networks (NNs) to construct DFT emulators capable of predicting potential energy surfaces and collective inertia tensors across the whole nuclear chart, starting from a minimal set of DFT calculations. We use constrained Hartree-Fock-Bogoliubov (HFB) calculations to predict the potential energy and collective inertia tensor in the axial quadrupole and octupole collective coordinates, for a set of nuclei in the 𝑟-process region. We then employ NNs to emulate the HFB energy and collective inertia tensor across the considered region of the nuclear chart. Least-action pathways characterizing spontaneous fission half-lives and fragment yields are then obtained by means of the nudged elastic band method. The potential energy predicted by NNs agrees with the DFT value to within a root-mean-square error of 500 keV, and the collective inertia components agree to within an order of magnitude. These results are largely independent of the NN architecture. The exit points on the outer turning line are found to be well emulated. For the spontaneous fission half-lives the NN emulation provides values that are found to agree with the DFT predictions within a factor of 10 3 across more than 70 orders of magnitude. Neural networks are able to emulate the potential energy and collective inertia well enough to reasonably predict physical observables. Future directions of study, such as the inclusion of additional collective degrees of freedom and active learning, will improve the predictive power of microscopic theory and further enable large-scale fission studies.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1992

LAI inversion from optical reflectance using a neural network trained with a multiple scattering model

The inversion of the leaf area index (LAI) canopy parameter from optical spectral reflectance measurements is obtained using a backpropagation artificial neural network trained using input-output pairs generated by a multiple scattering reflectance model. The problem of LAI estimation over sparse canopies (LAI < 1.0) with varying soil reflectance backgrounds is particularly difficult. Standard multiple regression methods applied to canopies within a single homogeneous soil type yield good results but perform unacceptably when applied across soil boundaries, resulting in absolute percentage errors of >1000 percent for low LAI. Minimization methods applied to merit functions constructed from differences between measured reflectances and predicted reflectances using multiple-scattering models are unacceptably sensitive to a good initial guess for the desired parameter. In contrast, the neural network reported generally yields absolute percentage errors of <30 percent when weighting coefficients trained on one soil type were applied to predicted canopy reflectance at a different soil background.

Smith, James A.↗
DOE OSTI2024

A Graph Neural Network Surrogate Model for hls4ml

Recent advancements in use of machine learning (ML) techniques on field-programmable gate arrays (FPGAs) have allowed for the implementation of embedded neural networks with extremely low latency. This is invaluable for particle detectors at the Large Hadron Collider, where latency and used area are strictly bounded. The hls4ml framework is a procedure that converts trained ML model software to a synthesis result to can be used on an FPGA. However, running the pipeline is a time-consuming procedure, and there is a strong risk of failure. In particular, it may not be possible to successfully convert a model into a synthesis result, or the resource consumption of the model may exceed the resources of the target FPGA. To aid with this development, we introduce wa-hls4ml, a surrogate model using a graph neural network to emulate the structure of the source models. The goal is to estimate the chance of success and resource consumption of a given model when passed through the hls4ml pipeline, without needing to run the pipeline.

Plotnikov, Dennis↗
DOE OSTI2025

Multioutput Convolutional Neural Network for Improved Parameter Extraction in Time-Resolved Electrostatic Force Microscopy Data

Time-resolved scanning probe microscopy methods, like time-resolved electrostatic force microscopy (trEFM), enable imaging of dynamic processes ranging from ion motion in batteries to electronic dynamics in microstructured thin film semiconductors for solar cells. Reconstructing the underlying physical dynamics from these techniques can be challenging due to the interplay of cantilever physics with the actual transient kinetics of interest in the resulting signal. Previously, quantitative trEFM used empirical calibration of the cantilever or feed-forward neural networks trained on simulated data to extract the physical dynamics of interest. Both these approaches are limited by interpreting the underlying signal as a single exponential function, which serves as an approximation but does not adequately reflect many realistic systems. Here, we present a multi-branched, multi-output convolutional neural network (CNN) that uses the trEFM signal in addition to the physical cantilever parameters as input. The trained CNN accurately extracts parameters describing both single-exponential and bi-exponential underlying functions, and more accurately reconstructs real experimental data in the presence of noise. This article demonstrates an application of physics-informed machine learning to complex signal processing tasks, enabling more efficient and accurate analysis of trEFM.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Equipping Neural Network Surrogates with Uncertainty for Propagation in Physical Systems

Coarse-grained or filtered models typically rely on closure models to account for unresolved scales. For instance, large eddy simulation for modeling turbulent fluid flows explicitly resolves the largest scales, but requires modeling closure terms to account for the sub-filter scales. With the vast amount of data available from high-fidelity simulations, there are unique opportunities to leverage data-driven modeling techniques to formulate expressive and flexible closure models. Despite their flexibility, data-driven models struggle in domain shift settings, i.e. when deployed in configurations not captured in the training dataset. In particular, the efficacy of neural network surrogates is difficult to assess a priori due to the deterministic, point-estimate nature of predictions. In high-consequence applications, such models require reliable uncertainty estimates in the data-informed and out-of-distribution regimes. To quantify uncertainties in both regimes, we employ Bayesian neural networks which are able to capture both epistemic and aleatoric uncertainties. We will discuss challenges associated with the training and evaluation of these networks. Furthermore, we will discuss uncertainty embedding strategies to enable efficient sampling and propagation of uncertainty through high-fidelity simulations.

Bayesian neural networks↗
NASA NTRS1993

Development of programmable artificial neural networks

Conventionally programmed digital computers can process numbers with great speed and precision, but do not easily recognize patterns or imprecise or contradictory data. Instead of being programmed in the conventional sense, artificial neural networks are capable of self-learning through exposure to repeated examples. However, the training of an ANN can be a time consuming and unpredictable process. A general method is being developed to mate the adaptability of the ANN with the speed and precision of the digital computer. This method was successful in building feedforward networks that can approximate functions and their partial derivatives from examples in a single iteration. The general method also allows the formation of feedforward networks that can approximate the solution to nonlinear ordinary and partial differential equations to desired accuracy without the need of examples. It is believed that continued research will produce artificial neural networks that can be used with confidence in practical scientific computing and engineering applications.

Meade, Andrew J.↗
NASA NTRS1995

Numerical solution of differential equations by artificial neural networks

Conventionally programmed digital computers can process numbers with great speed and precision, but do not easily recognize patterns or imprecise or contradictory data. Instead of being programmed in the conventional sense, artificial neural networks (ANN's) are capable of self-learning through exposure to repeated examples. However, the training of an ANN can be a time consuming and unpredictable process. A general method is being developed by the author to mate the adaptability of the ANN with the speed and precision of the digital computer. This method has been successful in building feedforward networks that can approximate functions and their partial derivatives from examples in a single iteration. The general method also allows the formation of feedforward networks that can approximate the solution to nonlinear ordinary and partial differential equations to desired accuracy without the need of examples. It is believed that continued research will produce artificial neural networks that can be used with confidence in practical scientific computing and engineering applications.

Meade, Andrew J., Jr.↗
NASA NTRS1993

Classification of multispectral image data by the Binary Diamond neural network and by nonparametric, pixel-by-pixel methods

The classification of multispectral image data obtained from satellites has become an important tool for generating ground cover maps. This study deals with the application of nonparametric pixel-by-pixel classification methods in the classification of pixels, based on their multispectral data. A new neural network, the Binary Diamond, is introduced, and its performance is compared with a nearest neighbor algorithm and a back-propagation network. The Binary Diamond is a multilayer, feed-forward neural network, which learns from examples in unsupervised, 'one-shot' mode. It recruits its neurons according to the actual training set, as it learns. The comparisons of the algorithms were done by using a realistic data base, consisting of approximately 90,000 Landsat 4 Thematic Mapper pixels. The Binary Diamond and the nearest neighbor performances were close, with some advantages to the Binary Diamond. The performance of the back-propagation network lagged behind. An efficient nearest neighbor algorithm, the binned nearest neighbor, is described. Ways for improving the performances, such as merging categories, and analyzing nonboundary pixels, are addressed and evaluated.

Salu, Yehuda↗
NASA NTRSDate not supplied

Ice-Over-Water Cloud Properties in an Artificial Neural Network Approach

Clouds are a crucial component of the atmospheric energy system, particularly the radiative balance within, above, and below the troposphere. The vertical distribution of cloud mass and phase determines layer heating rates, the loss of radiation to space, and the amount of radiative heating at the surface. Thus, it is important to know how clouds are distributed both vertically and horizontally at all times of day. Satellite remote sensing is the only approach available to monitor clouds day and night around the globe. In this paper several artificial neural network (ANN) algorithms, employing several Aqua MODIS infrared channels, profiles of relative humidity and temperature from GMAO numerical weather analyses, and the retrieved total cloud visible optical depth, are trained to detect multilayer ice-over-water cloud systems and to retrieve some of their properties as identified by a year of 2008 Aqua MODIS data matched with CloudSat and CALIPSO (CC) cloud profiles. The CC lidar and radar profiles provide the vertical structure that serves as output truth for the multilayer algorithm. The neural networks were trained using one year (2008) of cloud top height data from the CC dataset, with correlation around 0.94 (0.95) and MAE as low as 0.82 (0.81) km for nonpolar regions during the day (night). Applying the trained ANN to independent year 2009 MODIS data resulted in a combined ML and single layer hit rate of 86.4% (85.1%) for nonpolar regions during the day (night). Since the ANN is trained using near-nadir MODIS pixels, infrared radiance corrections were developed as a function of view zenith angle from MODIS and applied to off-nadir pixels when processing MODIS swath data. The multilayer amount derived with the ANN is relatively invariant with increasing view zenith angle compared to the multilayer amount without the corrections.

MODIS↗
DOE OSTI2024

Identification of Distorted Gamma-Ray Signature Patterns Using Digital Filtering and Auto-Associative Memory Implemented with a Hopfield Neural Network

The detection and identification of radioactive sources in search applications involve analyzing passive gamma-ray emissions from high-level radioactive materials. This process uses a mobile detector-spectrometer in a complex field test environment. Recently, the use of artificial intelligence for gamma-ray spectrum analysis has shown promising results. However, challenges persist in identifying isotopic signatures from spectral measurements that may be distorted due to source shielding, random variations in natural radioactive background, or insufficient measurement time to obtain clear spectral lines. Here, this paper presents a novel intelligent signature recognition method that combines digital filtering techniques with an artificial Hopfield Neural Network (HNN). The HNN leverages auto-associative memory to store training sample patterns and match them with incoming gamma spectra from distorted sources. It restores the testing sources’ measurements by finding the closest matching signature patterns in the spectral library. Before HNN recognition, the measured spectrum undergoes preprocessing with a digital image filter to reduce fluctuations. Performance of the proposed method is evaluated using a set of gamma-ray spectra measured with a sodium iodide detector. The data collected include measurements from six pure samples: 241 Am, 60 Co, 137 Cs, 192 Ir, 239 Pu, and 235 U, which are used for training and validation (i.e. six cases). Additionally, the data set contains 24 distorted synthesized sources with various fluctuating backgrounds. Test results demonstrate the potential of the proposed method to accurately recognize the correct isotope with high precision, achieving an accuracy rate exceeding 85%. Furthermore, the proposed method exhibits superior performance compared to the conventional multiple regression fitting and simple feedforward neural network methods.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS2007

Neural Network Burst Pressure Prediction in Composite Overwrapped Pressure Vessels

Acoustic emission data were collected during the hydroburst testing of eleven 15 inch diameter filament wound composite overwrapped pressure vessels. A neural network burst pressure prediction was generated from the resulting AE amplitude data. The bottles shared commonality of graphite fiber, epoxy resin, and cure time. Individual bottles varied by cure mode (rotisserie versus static oven curing), types of inflicted damage, temperature of the pressurant, and pressurization scheme. Three categorical variables were selected to represent undamaged bottles, impact damaged bottles, and bottles with lacerated hoop fibers. This categorization along with the removal of the AE data from the disbonding noise between the aluminum liner and the composite overwrap allowed the prediction of burst pressures in all three sets of bottles using a single backpropagation neural network. Here the worst case error was 3.38 percent.

Hill, Eric v. K.↗
DOE OSTI2024

Phase retrieval for refraction-enhanced x-ray radiography using a deep neural network

X-ray refraction-enhanced radiography (RER) or phase contrast imaging is widely used to study internal discontinuities within materials. The resulting radiograph captures both the decrease in intensity caused by material absorption along the x-ray path, as well as the phase shift, which is highly sensitive to gradients in density. A significant challenge lies in effectively analyzing the radiographs to decouple the intensity and phase information and accurately ascertain the density profile. Conventional algorithms often yield ambiguous and unrealistic results due to difficulties in including physical constraints and other relevant information. We have developed an algorithm that uses a deep neural network to address these issues and applied it to extract the detailed density profile from an experimental RER. To generalize the applicability of our algorithm, we have developed a technique that quantitatively evaluates the complexity of the phase retrieval process based on the characteristics of the sample and the configuration of the experiment. Accordingly, this evaluation aids in the selection of the neural network architecture for each specific case. Beyond RER, the model has potential applications for other diagnostics where phase retrieval analysis is required.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2002

Verification and Validation of Neural Networks for Aerospace Systems

The Dryden Flight Research Center V&V working group and NASA Ames Research Center Automated Software Engineering (ASE) group collaborated to prepare this report. The purpose is to describe V&V processes and methods for certification of neural networks for aerospace applications, particularly adaptive flight control systems like Intelligent Flight Control Systems (IFCS) that use neural networks. This report is divided into the following two sections: Overview of Adaptive Systems and V&V Processes/Methods.

Mackall, Dale↗
NASA NTRS2002

Verification and Validation of Neural Networks for Aerospace Systems

The Dryden Flight Research Center V&V working group and NASA Ames Research Center Automated Software Engineering (ASE) group collaborated to prepare this report. The purpose is to describe V&V processes and methods for certification of neural networks for aerospace applications, particularly adaptive flight control systems like Intelligent Flight Control Systems (IFCS) that use neural networks. This report is divided into the following two sections: 1) Overview of Adaptive Systems; and 2) V&V Processes/Methods.

Mackall, Dale↗