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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 OSTI2024

AI in Science Communication

Generative AI has brought great innovations across multiple fields, offering great tools for enhanced communication and efficiency. This project focused on developing a custom AI chatbot using OpenAI's Chat GPT (GPT-4o) to support the Fermilab communications team. An analysis identified Chat GPT as the optimal choice, leading to the adoption of its team version and the implementation of a real-time JSON schema for website scanning. Four distinct personas were created to tailor responses to specific audiences, and Fermilab's published content was uploaded to ensure tone consistency. The training involved iterative prompt trials, resulting in a responsive and effective communication assistant. Initial evaluations indicate that the custom GPT shows promise.

Valle, Diego↗
DOE OSTI2026

Nuclear Data Libraries Sensitivity Studies for ORSA Using SCALE

Subcritical assemblies offer valuable training capabilities in nuclear criticality safety (NCS) for individuals handling fissile material. At Oak Ridge National Laboratory(ORNL), the Oak Ridge Subcritical Assembly (ORSA), a new experimental facility, is being established to provide hands-on training for the Nuclear Criticality Safety Program (NCSP).It is essential to accurately determine the neutron multiplication factor (keff) to ensure that ORSA remains subcritical and safe during operations. This study investigated the sensitivity of keff to variations across Evaluated Nuclear Data File (ENDF/B) libraries, consisting of ENDF/B-VII.1, ENDF/B-VIII.0, and ENDF/B-VIII.1. The analysis was conducted using the CSAS6 sequence in the SCALE-6.3 code system. Individual isotopes in the ORSA model were replaced one at a time with ENDF/B-VII.1 as the base library and changing to ENDF/B-VIII.0or ENDF/B-VIII.1. The results demonstrated that the changes in keffof the nuclides associated with the ORSA model were mostly within the uncertainty of the base model (~24 pcm), except for primary nuclides like Uranium-235and H-poly with few other nuclides. The relative delta keff values of Uranium-235 and H-poly, expressed in pcm, were +280 and -212 in ENDF/B-VIII.0 and +332 and -275 in ENDF/B-VIII.1, respectively, which were notable changes in reactivity. These results demonstrated that ORSA was largely insensitive to variations across these nuclear data libraries.

Hong, Evan [North Carolina State University]↗
DOE OSTI2025

Artificial neural networks estimate evapotranspiration for Miscanthus × giganteus as effectively as empirical model but with fewer inputs

Estimating actual evapotranspiration (ET) is particularly crucial for addressing how vegetation affects the water balance of ecosystems. ET estimation can be complex with empirical models due to their many parameters and reliance on aridity. In contrast, artificial neural networks (ANNs) could potentially estimate ET with fewer and more common meteorological parameters. In this study, we trained two ANNs, one using a feed-forward approach (FFN) and the other a nonlinear auto-regressive network (NARX), to predict ET and compared them to the commonly used empirical model Granger and Gray (GG). We trained our models on a nine-year eddy covariance (EC) dataset for Miscanthu s × giganteus ( M . × giganteus ) from Illinois (UIEF), then tested them using out-of-sample data from both UIEF and a different location in Iowa (SABR) to compare the accuracy of FFN, NARX, and GG models in estimating daily ET. A combination of air temperature (T a ) and solar radiation (R s ) was chosen as inputs due to the highest R 2 for FFN (R 2 = 0.79, 0.81, and 0.79 for training, testing, and validation, respectively) and only T a for NARX (R 2 = 0.70 for out-of-sample validation). The predictive power of the FFN model was superior to the NARX and GG models at the UIEF site (R 2 = 0.84, 0.70, and 0.83 for out-of-sample validation, respectively). Our analysis showed that ANN approaches are as accurate as empirical approaches for estimating ET but use fewer inputs.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Dynamic Modeling and Simulation of a Subcritical Coal-Fired Power Plant under Load-Following Conditions

Dynamic models for power plants that capture realistic general process trends and effects of manipulated variables are needed to improve load-following, while minimizing carbon footprint. In this work, a dynamic modeling approach and simulation results for subcritical coal-fired power plant components are presented. These encompass simulation of the dynamics in the fireside, including the effects of fuel, air combustion, and the dynamics of the entire waterside and power generation sections. This model development enables the simulation and analysis of the important short and long-time scale dynamics of components such as heaters, evaporative loop, and power generation units. Furthermore, additional variables in the power generation section are introduced to improve model accuracy, extending the prediction capability of subcritical power plant models and opening new opportunities for research in operator training, optimization, and advanced model-based controller design that are based on these models. The change in process gain for different ramp rates associated with disturbance signals that affect process variables is also explored and a correlation developed. This provides opportunities to study disturbance rejection control implementation and adaptation for scenarios with such variations in ramp rates. The prediction capabilities of selected components are compared to data available in literature, with the obtained root mean squared error ranges that reflect the model performance and quality of predictions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Manifold projection image segmentation for nano-XANES imaging

As spectral imaging techniques are becoming more prominent in science, advanced image segmentation algorithms are required to identify appropriate domains in these images. We present a version of image segmentation called manifold projection image segmentation (MPIS) that is generally applicable to a broad range of systems without the need for training because MPIS uses unsupervised machine learning with a few physically motivated hyperparameters. We apply MPIS to nanoscale x-ray absorption near edge structure (XANES) imaging, where XANES spectra are collected with nanometer spatial resolution. We show the superiority of manifold projection over linear transformations, such as the commonly used principal component analysis (PCA). Moreover, MPIS maintains accuracy while reducing computation time and sensitivity to noise compared to the standard nano-XANES imaging analysis procedure. Finally, we demonstrate how multimodal information, such as x-ray fluorescence data and spatial location of pixels, can be incorporated into the MPIS framework. We propose that MPIS is adaptable for any spectral imaging technique, including scanning transmission x-ray microscopy, where the length scale of domains is larger than the resolution of the experiment.

36 MATERIALS SCIENCE↗
DOE OSTI2024

High-accuracy emulators for observables in ΛCDM, N eff, Σ m ν, and w cosmologies

ABSTRACT We use the emulation framework CosmoPower to construct and publicly release neural network emulators of cosmological observables, including the cosmic microwave background (CMB) temperature and polarization power spectra, matter power spectrum, distance-redshift relation, baryon acoustic oscillation (BAO) and redshift-space distortion (RSD) observables, and derived parameters. We train our emulators on Einstein–Boltzmann calculations obtained with high-precision numerical convergence settings, for a wide range of cosmological models including ΛCDM, wCDM, ΛCDM + Neff, and ΛCDM + Σmν. Our CMB emulators are accurate to better than 0.5 per cent out to ℓ = 104, which is sufficient for Stage-IV data analysis, and our P(k) emulators reach the same accuracy level out to $k=50 \, \, \mathrm{Mpc}^{-1}$, which is sufficient for Stage-III data analysis. We release the emulators via an online repository (CosmoPower Organisation), which will be continually updated with additional extended cosmological models. Our emulators accelerate cosmological data analysis by orders of magnitude, enabling cosmological parameter extraction analyses, using current survey data, to be performed on a laptop. We validate our emulators by comparing them to class and camb and by reproducing cosmological parameter constraints derived from Planck TT, TE, EE, and CMB lensing data, as well as from the Atacama Cosmology Telescope Data Release 4 CMB data, Dark Energy Survey Year-1 galaxy lensing and clustering data, and Baryon Oscillation Spectroscopic Survey Data Release 12 BAO and RSD data.

Astronomy & Astrophysics↗
DOE OSTI2025

Coefficient-to-Basis Network: a fine-tunable operator learning framework for inverse problems with adaptive discretizations and theoretical guarantees

We propose a Coefficient-to-Basis Network (C2BNet), a novel framework for solving inverse problems within the operator learning paradigm. C2BNet efficiently adapts to different discretizations through fine-tuning, using a pre-trained model to significantly reduce computational cost while maintaining high accuracy. Unlike traditional approaches that require retraining from scratch for new discretizations, our method enables seamless adaptation without sacrificing predictive performance. Furthermore, we establish theoretical approximation and generalization error bounds for C2BNet by exploiting low-dimensional structures in the underlying datasets. Our analysis demonstrates that C2BNet adapts to low-dimensional structures without relying on explicit encoding mechanisms, highlighting its robustness and efficiency. To validate our theoretical findings, we conducted extensive numerical experiments that showcase the superior performance of C2BNet on several inverse problems. The results confirm that C2BNet effectively balances computational efficiency and accuracy, making it a promising tool to solve inverse problems in scientific computing and engineering applications.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

A Hybrid Energy System Workflow for Energy Portfolio Optimization

This manuscript develops a workflow, driven by data analytics algorithms, to support the optimization of the economic performance of an Integrated Energy System. The goal is to determine the optimum mix of capacities from a set of different energy producers (e.g., nuclear, gas, wind and solar). A stochastic-based optimizer is employed, based on Gaussian Process Modeling, which requires numerous samples for its training. Each sample represents a time series describing the demand, load, or other operational and economic profiles for various types of energy producers. These samples are synthetically generated using a reduced order modeling algorithm that reads a limited set of historical data, such as demand and load data from past years. Numerous data analysis methods are employed to construct the reduced order models, including, for example, the Auto Regressive Moving Average, Fourier series decomposition, and the peak detection algorithm. All these algorithms are designed to detrend the data and extract features that can be employed to generate synthetic time histories that preserve the statistical properties of the original limited historical data. The optimization cost function is based on an economic model that assesses the effective cost of energy based on two figures of merit: the specific cash flow stream for each energy producer and the total Net Present Value. An initial guess for the optimal capacities is obtained using the screening curve method. The results of the Gaussian Process model-based optimization are assessed using an exhaustive Monte Carlo search, with the results indicating reasonable optimization results. The workflow has been implemented inside the Idaho National Laboratory’s Risk Analysis and Virtual Environment (RAVEN) framework. The main contribution of this study addresses several challenges in the current optimization methods of the energy portfolios in IES: First, the feasibility of generating the synthetic time series of the periodic peak data; Second, the computational burden of the conventional stochastic optimization of the energy portfolio, associated with the need for repeated executions of system models; Third, the inadequacies of previous studies in terms of the comparisons of the impact of the economic parameters. The proposed workflow can provide a scientifically defendable strategy to support decision-making in the electricity market and to help energy distributors develop a better understanding of the performance of integrated energy systems.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2020

Development of gas chromatographic pattern recognition and classification tools for compliance and forensic analyses of fuels: A review

Gas chromatography (GC) is undoubtedly the analytical technique of choice for analyzing the composition of petroleum-based fuels. Over the past twenty years, as comprehensive two-dimensional gas chromatography (GC×GC) has evolved, fuel analysis has often been highlighted in scientific reports, as their complexity allows for illustration of the impressive peak capacity gains afforded by GC×GC. Indeed, several research groups in recent years have applied GC×GC and chemometrics to demonstrate the potential of these analytical tools to address important compliance (tax evasion, tax credits, physical quality standards) and forensic (arson investigations, oil spills) applications involving fuels. None the less, routine use of GC×GC in forensic laboratories has been limited largely by (1) legal and regulatory guidelines, (2) lack of chemometrics training, and (3) concerns about the reproducibility of GC×GC. The goal of this review is to highlight recent advances in one-dimensional GC (1D-GC) and GC×GC analyses of fuels for compliance and forensic applications, in an effort to assist scientists in overcoming the aforementioned hindrances. An introduction to 1D-GC principles, GC×GC technology (column stationary phases and modulators) and several chemometric techniques will be provided. More specifically, chemometric techniques will be broken down into (1) signal pre-processing, (2) peak decomposition, identification and quantification, and (3) classification and pattern recognition. Examples of compliance and forensic applications will be discussed, with particular emphasis on the demonstrated success of the employed chemometric techniques. Overall, this review will hopefully make 1D-GC and GC×GC coupled with chemometric data analysis tools more accessible to the larger scientific community, and aid in eventual widespread standardization.

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

High fidelity multiphysics tightly coupled model for a lead cooled fast reactor concept and application to statistical calculation of hot channel factors

A tightly coupled multiphysics code system is established using the MOOSE framework for hot channel factor (HCF) evaluation on a Lead Fast Reactor (LFR) concept. The coupled system is driven by the Griffin multiphysics coupling capability under which the MOOSE Heat Transfer module and NekRS computational fluid dynamics solver are coupled for conjugate heat transfer using the Cardinal application. The coupled capability is demonstrated on an LFR assembly model based on materials and geometry of a prototypical lead-cooled fast reactor design by Westinghouse Electric Company, LLC. Moreover, the work integrates the Multiphysics Object Oriented Simulation Environment (MOOSE) Stochastic Tools Module (STM) to perform calculations for statistical analysis of HCF. Furthermore, the coupling strategy and workflow demonstrated in this paper is not only useful for predicting accurate hot channel factors for different kinds of advanced reactors but also for other engineering applications such as control rod worth assessment, generation of high-fidelity database for Artificial intelligence (AI)/machine learning (ML) training, design optimization and multi-resolution modeling.

Cardinal↗
DOE OSTI2022

Image segmentation for analyzing galaxy-galaxy strong lensing systems

The goal of this Letter is to develop a machine learning model to analyze the main gravitational lens and detect dark substructure (subhalos) within simulated images of strongly lensed galaxies. Using the technique of image segmentation, we turn the task of identifying subhalos into a classification problem, where we label each pixel in an image as coming from the main lens, a subhalo within a binned mass range, or neither. Our network is only trained on images with a single smooth lens and either zero or one subhalo near the Einstein ring. On an independent test set with lenses with large ellipticities, quadrupole and octopole moments, and for source apparent magnitudes between 17–25, the area of the main lens is recovered accurately. On average, only 1.3% of the true area is missed and 1.2% of the true area is added to another part of the lens. In addition, subhalos as light as 10 8.5 M ⊙ can be detected if they lie in bright pixels along the Einstein ring. Furthermore, the model is able to generalize to new contexts it has not been trained on, such as locating multiple subhalos with varying masses or more than one large smooth lens.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Normalizing flows for likelihood-free inference with fusion simulations

Fluid-based scrape-off layer transport codes, such as UEDGE, are heavily utilized in tokamak analysis and design, but typically require user-specified anomalous transport coefficients to match experiments. Determining the uniqueness of these parameters and the uncertainties in them to match experiments can provide valuable insights to fusion scientists. Here, we leverage recent work in the area of likelihood-free inference (‘simulation-based inference’) to train a neural network, which enables accurate statistical inference of the anomalous transport coefficients given experimental plasma profile input. UEDGE is treated as a black-box simulator and runs multiple times with anomalous transport coefficients sampled from priors, and the neural network is trained on these simulations to emulate the posterior. The neural network is trained as a normalizing flow model for density estimation, allowing it to accurately represent complicated, high-dimensional distribution functions. With a fixed simulation budget, we compare a single-round procedure to a multi-round approach that guides the training simulations toward a specific target observation. Finally, we discuss the future possibilities for use of amortized models, which train on a wide range of simulations and enable fast statistical inference for results during experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

DIGS: deep inference of galaxy spectra with neural posterior estimation

Abstract With the advent of billion-galaxy surveys with complex data, the need of the hour is to efficiently model galaxy spectral energy distributions (SEDs) with robust uncertainty quantification. The combination of simulation-based inference (SBI) and amortized neural posterior estimation (NPE) has been successfully used to analyse simulated and real galaxy photometry both precisely and efficiently. In this work, we utilise this combination and build on existing literature to analyse simulated noisy galaxy spectra. Here, we demonstrate a proof-of-concept study of spectra that is (a) an efficient analysis of galaxy SEDs and inference of galaxy parameters with physically interpretable uncertainties; and (b) amortized calculations of posterior distributions of said galaxy parameters at the modest cost of a few galaxy fits with Markov chain Monte Carlo (MCMC) methods. We utilise the SED generator and inference framework Prospector to generate simulated spectra, and train a dataset of 2 × 10 6 spectra (corresponding to a five-parameter SED model) with NPE. We show that SBI—with its combination of fast and amortized posterior estimations—is capable of inferring accurate galaxy stellar masses and metallicities. Our uncertainty constraints are comparable to or moderately weaker than traditional inverse-modelling with Bayesian MCMC methods (e.g. 0.17 and 0.26 dex in stellar mass and metallicity for a given galaxy, respectively). We also find that our inference framework conducts rapid SED inference (0.9–1.2 × 10 5 galaxy spectra via SBI/NPE at the cost of 1 MCMC-based fit). With this work, we set the stage for further work that focuses of SED fitting of galaxy spectra with SBI, in the era of JWST galaxy survey programs and the wide-field Roman Space Telescope spectroscopic surveys.

spectroscopy↗
DOE OSTI2025

Conceptual Designs for Irradiation Creep Testing of SiC in HFIR

Understanding irradiation creep of nuclear fuel cladding is important to properly size the initial fuel-cladding gap and understand when pellet-cladding contact is expected to occur due to a combination of fuel swelling and cladding creep-down. Irradiation creep also plays a role in relaxing stresses that develop in-pile. Silicon carbide fiber–reinforced silicon carbide matrix (SiC/SiC) composites are the leading long-term accident-tolerant fuel cladding concept for light-water reactors (LWRs). Although some limited data are available regarding irradiation creep of the individual constituents (fibers, matrix), data regarding irradiation creep of SiC/SiC composites are currently insufficient. Additional data regarding irradiation creep compliance and the rupture lifetime (combination of creep and slow crack growth) are needed to understand material limitations. This work describes the design and development of two irradiation vehicles that are being pursued for testing SiC/SiC concepts in the High Flux Isotope Reactor (HFIR). The first is a passive experiment, referred to as the PRECISE experiment, that leverages the constant coolant pressure of HFIR to compress a metallic bellows and provide a well-characterized load to drive creep in a SiC/SiC dog bone specimen. The total creep strain would be quantified post-irradiation by measuring dimensional changes of the specimen length as well as local dimensional changes within the gauge region. Non-stressed specimens would also be irradiated under the same conditions to provide an indication of dimensional changes due to radiation-induced swelling in the absence of creep. A second, more complex experiment, referred to as the INSITE experiment, is being designed in parallel that would use pneumatics to pressurize a metal bellows and linear variable differential transformers (LVDTs) to measure the specimen displacement in situ during irradiation. Such an experiment would provide significantly more data regarding the evolution of the creep compliance as a function of dose and applied stress within a single experiment but would require significantly more development time and cost to execute. The primary concern with the INSITE experiment is the accuracy, reliability, and expected lifetime of the LVDTs during irradiation at elevated temperatures. Efforts are being made to adjust the experiment design and operating procedure to limit LVDT temperatures and mitigate or otherwise compensate for uncertainties due to factors such as temperature fluctuations, creep in the surrounding structural materials, and drift of the LVDTs. This work describes the experiment designs, thermal and structural analysis that were performed to ensure that the desired temperature and stress conditions can be achieved, some initial sensitivity analyses to predict the evolution of the radiation-induced specimen displacements, and potential sources of uncertainty in the measurements. Out-of-pile testing is being performed in parallel to confirm that the test trains achieve the expected stress states in the specimens and do not result in prohibitive stress concentrators (e.g., in the grip regions) that might risk pre-mature failure. The PRECISE experiments are proceeding toward fabrication and assembly with HFIR insertion planned during fiscal year 2026. The INSITE experiment is progressing toward out-of-pile demonstrations, which will provide more conclusive evidence regarding the feasibility of executing these tests in HFIR or whether alternative displacement monitoring techniques may need to be considered.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2026

Measurement Adequacy for Monitoring Data Center Oscillations

Artificial intelligence (AI) training data centers with periodic load profiles can induce sustained grid oscillations across a wide frequency range, making accurate monitoring essential for reliable power system operation. This report evaluates the adequacy of existing measurement systems for monitoring such oscillations, focusing on phasor measurement units (PMUs) and point-on-wave (POW) measurement systems. The analysis shows that while PMUs are highly effective for monitoring low-frequency electromechanical oscillations, they have inherent limitations in accurately representing higher-frequency oscillations due to constraints imposed by reporting rates and the bandwidth of phasor estimation filters. Even when configured with higher reporting rates, the filtering inherent in the phasor estimation process can significantly attenuate oscillation magnitudes, potentially leading to underestimation of oscillatory behavior. This has important implications for compliance and performance monitoring of large loads. To address the limitations associated with PMU-based monitoring, the report examines the use of high-resolution POW measurements, which can capture oscillations across a broader frequency range. However, continuous POW monitoring introduces practical challenges related to large data volumes, communication bandwidth, and real-time data processing. For this reason, the report also discusses emerging approaches that use POW measurements as a complementary capability alongside PMUs to improve observability of oscillations from large data center loads.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Distinguishing Orbiting and Infalling Dark Matter Particles with Machine Learning

Dark matter halos are typically defined as spheres that enclose some overdensity, but these sharp, somewhat arbitrary boundaries introduce nonphysical artifacts such as backsplash halos, pseudo-volution, and an incomplete accounting of halo mass. A more physically motivated alternative is to define halos as the collection of particles that are physically orbiting within their potential well. However, existing methods to classify particles as orbiting or infalling suffer from trade-offs between accuracy, computational cost, and generalizability across cosmologies. We present an efficient, yet accurate, supervised machine learning approach using decision trees. The classification is based on only the particle radii and velocities at two epochs. Compared to detailed analysis of particle trajectories, we find that our model matches the classification of 97% of particles. Consequently, we are able to quickly and accurately reproduce the density profiles of the orbiting and infalling components out to many virial radii. We demonstrate that our model generalizes to a significantly different cosmology that lies outside the training data set. We make publicly available both our final model and the code to train similar models.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Beyond Binary: Automated PLC Memory Forensics through RGB Image Analysis and Deep Learning

The introduction of Industry 4.0 and the evolution of industrial control systems (ICS) to adopt Internet-based technologies enhanced productivity, but have inadvertently increased their vulnerability to cyber-based malicious attacks. When an ICS system is compromised, security analysts need to identify the root cause quickly to start the recovery process and develop mitigation strategies to safeguard against future instances. Memory forensics is critical in the analysis process to ascertain what occurred. To date, approaches to analyze the persistent memory in ICS devices are limited, and almost nonexistent for volatile memory. This paper proposes an automated methodology, COMA, for PLC memory dump analysis using computer vision and deep learning techniques. Specifically, COMA converts the sequences of bytes in a PLC memory dump to RGB pixels and creates a deep learning model that learns the underlying patterns and features of pre-labeled forensic artifacts in images and segments them into distinct regions. COMA then uses the trained model to automatically segment new memory images and extract forensic artifacts. We evaluate COMA on a Schneider Electric Modicon M221 PLC involving two cyber-based attack scenarios: (i) code injection and (ii) code modification. The empirical results show that COMA can successfully detect attack artifacts in memory dumps in both scenarios.

Asmar Awad, Rima↗