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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Scientific Discovery with Physics-Informed System Identification (Abbreviated Report)

My fellowship research focused on making physics-based simulations faster and more useful through machine learning. Many problems in science and engineering are governed by partial differential equations, but high-fidelity simulations are often too expensive to run repeatedly. I worked on improving Latent Space Dynamics Identification (LaSDI), a reduced-order modeling framework that compresses large simulation data sets into a smaller representation and then learns how that representation evolves over time. The motivation was to develop reduced models that remain accurate for more challenging systems, especially when predictions must remain reliable over long time intervals or when the underlying dynamics are more complicated than standard methods can easily handle. I also contributed to related work on Quandary, a high-performance software effort for simulation and control of open quantum systems, before focusing primarily on Latent Space Dynamics Identification methods. The main outcomes of the fellowship were two new algorithms (both of which were published), Rollout-LaSDI and Higher-Order LaSDI, together with supporting work on multi-stage Latent Space Dynamics Identification. Rollout-LaSDI improved long-term prediction by training the model to stay accurate over extended time horizons, and Higher-Order LaSDI broadened the method so it could model systems with higher-order time dynamics. My contributions to multistage Latent Space Dynamics Identification also helped show that its later training stages could be simplified without losing effectiveness, and that this behavior held across different model architectures and training strategies. Taken together, these advances improved the accuracy, flexibility, and practical value of reduced-order modeling tools for computational science.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Reliable Determination of Pulses and Pulse-Shape Instability in Ultrashort Laser Pulse Trains Using Polarization-Gating and Transient-Grating Frequency-Resolved Optical Gating Using the RANA Approach

Devices that measure the presence of instability in the pulse shapes in trains of ultrashort laser pulses do not exist, so this task necessarily falls to pulse-measurement devices, like Frequency-Resolved Optical Gating (FROG) and its variations, which have proven to be a highly reliable class of techniques for measuring stable trains of ultrashort laser pulses. Fortunately, multi-shot versions of FROG have also been shown to sensitively distinguish trains of stable from those of unstable pulse shapes by displaying readily visible systematic discrepancies between the measured and retrieved traces in the presence of unstable pulse trains. However, the effects of pulse-shape instability and algorithm stagnation can be indistinguishable, so a never-stagnating algorithm—even when instability is present—is required and is generally important. In previous work, we demonstrated that our recently introduced Retrieved-Amplitude N-grid Algorithmic (RANA) approach produces highly reliable (100%) pulse-retrieval in the second-harmonic-generation (SHG) version of FROG for thousands of sample trains of pulses with stable pulse shapes. Further, it does so even for trains of unstable pulse shapes and thus both reliably distinguishes between the two cases and provides a rough measure of the degree of instability as well as a reasonable estimate of most typical pulse parameters. Here, we perform the analogous study for the polarization-gating (PG) and transient-grating (TG) versions of FROG, which are often used for higher-energy pulse trains. We conclude that PG and TG FROG, coupled with the RANA approach, also provide reliable indicators of pulse-shape instability. In addition, for PG and TG FROG, the RANA approach provides an even better estimate of a typical pulse in an unstable pulse train than SHG FROG does, even in cases of significant pulse-shape instability.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

LCLS RF Station Phase Anomaly Candidate Dataset

A public anomaly detection dataset constructed from RF station faults for phase at SLAC's LCLS (Linac Coherent Light Source). We have compiled a dataset of the RF station diagnostic phase data and the beam-position monitor (BPM) signals, alongside the hand labels, for a labeled study period. The dataset consists of two HDF5 files (one for train and one for test) containing the raw data, two CSV files containing information about the candidates. The CSV file for the test dataset also contains the label.

Liang, Jia [Stanford Univ., CA (United States). In↗
NASA NTRS2004

Monitoring space shuttle air quality using the Jet Propulsion Laboratory electronic nose

A miniature electronic nose (ENose) has been designed and built at the Jet Propulsion Laboratory (JPL), Pasadena, CA, and was designed to detect, identify, and quantify ten common contaminants and relative humidity changes. The sensing array includes 32 sensing films made from polymer carbon-black composites. Event identification and quantification were done using the Levenberg-Marquart nonlinear least squares method. After successful ground training, this ENose was used in a demonstration experiment aboard STS-95 (October-November, 1998), in which the ENose was operated continuously for six days and recorded the sensors' response to the air in the mid-deck. Air samples were collected daily and analyzed independently after the flight. Changes in shuttle-cabin humidity were detected and quantified by the JPL ENose; neither the ENose nor the air samples detected any of the contaminants on the target list. The device is microgravity insensitive.

manned↗
DOE OSTI2024

Atmospheric parameters and chemical abundances within 100 pc: a sample of G, K, and M main-sequence stars

ABSTRACT To date, we have access to enormous inventories of stellar spectra that allow the extraction of atmospheric parameters and chemical abundances essential in stellar studies. However, characterizing such a large amount of data is complex and requires a good understanding of the studied object to ensure reliable and homogeneous results. In this study, we present a methodology to measure homogenously the basic atmospheric parameters and detailed chemical abundances of over 1600 thin disc main-sequence stars in the 100 pc solar neighbourhood, using APOGEE-2 infrared spectra. We employed the code tonalli to determine the atmospheric parameters using a prior on $\log {g}$. The $\log {g}$ prior in tonalli implies an understanding of the treated population and helps to find physically coherent answers. Our atmospheric parameters agree within the typical uncertainties (100 K in $\mathrm{T_{eff}}$, 0.15 dex in $\log {g}$ and [M/H]) with previous estimations of ASPCAP and Gaia DR3. We use our temperatures to determine a new infrared colour–temperature sequence, in good agreement with previous works, that can be used for any main-sequence star. Additionally, we used the bacchus code to determine the abundances of Mg, Al, Si, Ca, and Fe in our sample. The five elements (Mg, Al, Si, Ca, Fe) studied have an abundance distribution centred around slightly subsolar values in agreement with previous results for the solar neighbourhood. The over 1600 main-sequence stars’ atmospheric parameters and chemical abundances presented here are useful in follow-up studies of the solar neighbourhood or as a training set for data-driven methods.

López-Valdivia, Ricardo (ORCID:0000000277950018)↗
DOE OSTI2024

Voltage Mining for (De)lithiation-Stabilized Cathodes and a Machine Learning Model for Li-Ion Cathode Voltage

Advances in lithium-metal anodes have inspired interest in discovery of Li-free cathodes, most of which are natively found in their charged state. This is in contrast to today's commercial lithium-ion battery cathodes, which are more stable in their discharged state. In this study, we combine calculated cathode voltage information from both categories of cathode materials, covering 5577 and 2423 total unique structure pairs, respectively. The resulting voltage distributions with respect to the redox pairs and anion types for both classes of compounds emphasize design principles for high-voltage cathodes, which favor later Period 4 transition metals in their higher oxidation states and more electronegative anions like fluorine or polyanion groups. Generally, cathodes that are found in their charged, delithiated state are shown to exhibit voltages lower than those that are most stable in their lithiated state, in agreement with thermodynamic expectations. Deviations from this trend are found to originate from different anion distributions between redox pairs. In addition, a machine learning model for voltage prediction based on chemical formulas is trained and shows state-of-the-art performance when compared to two established composition-based ML models for material properties predictions, Roost and CrabNet.

25 ENERGY STORAGE↗
DOE OSTI2026

Thermal Reservoir Networks for Modularly Expandable Thermal Microgrids

The Department of Defense (DoD) faces the substantial challenge of cost-effectively retrofitting one to two installations per month, each comprising approximately 1,000 buildings, to improve resilience, reduce energy consumption, and enhance energy supply security. Achieving these objectives requires optimal system selection and effective risk mitigation during system integration. To address this need, we introduce Platform-Based Design (PBD), a structured, hierarchical methodology adapted from other industrial sectors to the domain of energy system retrofits. We demonstrate the effectiveness of PBD through a techno-economic feasibility study comparing geothermal-coupled thermal energy networks (TENs) with conventional energy systems for heating, cooling, and powering 17 buildings at Joint Base Andrews (JBA) in Maryland. Our analysis illustrates that the PBD approach enables rigorous, data-driven, sequential decision making, resulting in a family of Pareto-optimal systems, among which the TEN emerged as the most promising solution. The selected TEN design integrates geothermal borefields, heat recovery heat pumps, photovoltaic (PV) arrays, and battery storage. Compared to the baseline system – gas heating combined with air-source chillers – the proposed TEN reduces annual imported energy by 74% and peak electricity demand by 45%, achieves a levelized cost of energy of $\$0.210$/kWh, and substantially enhances resilience. Life-cycle costs increase by approximately 6%, and initial investment costs are about 2.5 times higher than the baseline. However, if central plant infrastructure, district loops, and utility-scale PV and battery systems are privately funded and operated, the initial investment would fall below the baseline system cost. Critical to achieving these significant performance improvements were detailed nonlinear dynamic simulations coupling geothermal heat transfer, energy system operation, and realistic feedback control logic. These simulations identified essential design modifications and control strategy refinements that substantially reduced energy use, peak demand, and compressor shortcycling, thereby improving durability and reliability—issues that would have been significantly more expensive to resolve during operation. Additionally, the verification step highlighted sensitivities to key design parameters that could reduce initial investment by approximately $\$2$ million and reduce annual life-cycle costs more than $\$300,000$. We recommend adopting the PBD methodology for future feasibility studies and TEN pilot projects to gain valuable operational experience. Furthermore, we recommend that DoD invest in transferring and scaling the PBD methodology to other installations. This entails developing standardized computational frameworks and component libraries as well as training industry in conducting PBD. Such investments would enable rapid, robust, reliable, and cost-effective retrofits, supporting DoD’s ambitious energy system modernization goals.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

Elephant range and population, strontium isotopes, and genetics combine to give local-scale specificity to ivory hotspot tracking

We use Sr isotopes to increase the precision of DNA-based origin estimates of wildlife products. Population information is used to develop Sr isotope Elephant Polygons that are overlaid onto the region of origin identified by DNA assignment to determine the sources of seized ivory samples. Our approach is cognizant of isotope mixing due to isotope turnover within animals and also of the large home range of elephants or other mobile species. Genetic information from 3 different law enforcement ivory seizures suggests a region of origin confined to Kenya and Tanzania in eastern Africa. We determine characteristic 87 Sr/ 86 Sr ratios for each of 25 different Elephant Polygons within this region using analyses of more the 600 known-origin reference samples. Using both the 87 Sr/ 86 Sr ratios of the seized ivory samples and elephant population estimates from individual Elephant Polygons we find that at least 75 % of the samples likely came from a single Elephant Polygon which includes the Tsavo National Parks in Kenya and the Mkomazi National Park in Tanzania. A few samples may have come from other regions, most likely from Tanzania. This study illustrates the value of combining genetics, isotope geochemistry, and population surveys in wildlife forensics studies.

Africa↗
DOE OSTI2025

National User Resource for Biological Accelerator Mass Spectrometry (Final Report)

The National User Resource for Biological Accelerator Mass Spectrometry (User Resource) will provide isotopic analysis (primarily radiocarbon or 14C) by accelerator mass spectrometry (AMS) for NIH- funded researchers across the United States and will be the only User Resource of its type in the United States. The User Resource will provide measurement capability and expertise to a research community that requires highly sensitive, quantitative isotope analyses. Since commissioning a new accelerator mass spectrometer in June 2014, we have measured over 4000 samples a year for collaborators and service users. The User Resource will enable us to continue to meet these research needs, as well as provide for new users whose research programs would benefit from AMS as a measurement tool. The User Resource’s forte will be ultra-high sensitivity quantitation of radiocarbon and selected other radioisotopes for research studies where isotopes are required. Radioisotope labeling studies have been and will continue to be an important tool for addressing many complex biomedical science problems. AMS is a specialized and unique type of mass spectrometry that provides absolute quantitation of radiocarbon and other relevant radioisotopes with extreme sensitivity, having limits of detection in real samples on the order of a few attomol/mg of sample at measurement precisions of ~3%. It is the only instrumental method capable of quantifying radioisotope-labeled agents routinely in real-world samples with such precision and sensitivity. The sensitivity of AMS allows for the quantification of radiolabeled metabolites in extremely complex matrices of cells and organisms at very low concentrations and in small samples. AMS allows studies to be conducted without perturbing metabolism leading to more relevant quantification of metabolic rates and pathways. In addition, it enables quantification of pharmacokinetic and metabolic properties of toxicants at environmentally relevant concentrations in model systems as well as the ability to quantify pharmacokinetics and other molecular endpoints directly in humans. Such quantitative assessments can 1) improve risk assessment for toxicants, 2) address safety and efficacy considerations for therapeutic entities, 3) deepen understanding of xenobiotic and intermediary metabolism, 4) help understand the interactions between critical molecular pathways, and 5) improve efforts to model and predict various metabolic and biological states. These capabilities have been applied in a number of areas including research in carcinogenesis, toxicology, nutrition, pharmacology/drug development and basic biological science. As a NIGMS National Resource the National User Resource for Biological Accelerator Mass Spectrometry will help NIH funded scientists achieve a deeper understanding of the etiology of human health concerns by (1) enabling the quantification of pharmacokinetics and other molecular endpoints directly in humans; (2) offering the ability to conduct quantitative studies using biologics such as proteins or lipids, and thereby reducing the amount of radioisotope usage in biomedical labs; and (3) enabling more relevant studies of metabolic pathways in health and disease through the use of much lower, more biologically-relevant, concentrations of metabolic substrates in cells and intact organisms. Such studies support NIGMS’s basic biomedical research areas that contribute to the understanding of fundamental cellular and physiological principles and enable research supported by the Biophysics, Biomedical Technology, and Computational Biosciences (BBCB); Genetics and Molecular, Cellular, and Developmental Biology (GMCDB); Pharmacology, Physiology, Biological Chemistry (PPBC) and Training, Workforce Development, and Diversity (TWD) Divisions. Over the next five years, our goals are to: 1. Improve the efficiency of operation for AMS measurements through installation of new interfaces to our AMS systems, technical modifications to improve gas accepting ion source efficiency and upgrading our data analysis software for improved ease of use and data reporting. 2. Increase the accessibility and visibility of ultra-sensitive 14C measurements for the biomedical research community by training of new investigators and expanding our national user base. 3. Provide high throughput, ultra-sensitive 14C analysis for the NIGMS and NIH user community.

47 OTHER INSTRUMENTATION↗
DOE OSTI2026

Local reduced-order modeling for electrostatic plasmas by physics-informed solution manifold decomposition

Despite advancements in high-performance computing and modern numerical algorithms, computational cost remains prohibitive for multi-query kinetic plasma simulations. Here, in this work, we develop data-driven reduced-order models (ROMs) for collisionless electrostatic plasma dynamics, based on the kinetic Vlasov-Poisson equation. Our ROM approach projects the equation onto a linear subspace defined by the proper orthogonal decomposition (POD) modes. We introduce an efficient tensorial method to update the nonlinear term using a precomputed third-order tensor. We capture multiscale behavior with a minimal number of POD modes by decomposing the solution manifold into multiple time windows and creating temporally local ROMs. We consider two strategies for decomposition: one based on the physical time and the other based on the electric field energy. Applied to the 1D1V Vlasov–Poisson simulations, that is, prescribed E-field, Landau damping, and two-stream instability, we demonstrate that our ROMs accurately capture the total energy of the system both for parametric and time extrapolation cases. The temporally local ROMs are more efficient and accurate than the single ROM. In addition, in the two-stream instability case, we show that the energy-windowing reduced-order model (EW-ROM) is more efficient and accurate than the time-windowing reduced-order model (TW-ROM). With the tensorial approach, EW-ROM solves the equation approximately 90 times faster than Eulerian simulations while maintaining a maximum relative error of 7.5% for the training data and 11% for the testing data.

Electrostatic plasmas↗
DOE OSTI2025

Accelerating iterative ptychography with an integrated neural network

Electron ptychography is a powerful and versatile tool for high-resolution and dose-efficient imaging. Iterative reconstruction algorithms are powerful but also computationally expensive due to their relative complexity and the many hyperparameters that must be optimised. Gradient descent-based iterative ptychography is a popular method, but it may converge slowly when reconstructing low spatial frequencies. Here, in this work, we present a method for accelerating a gradient descent-based iterative reconstruction algorithm by training a neural network (NN) that is applied in the reconstruction loop. The NN works in Fourier space and selectively boosts low spatial frequencies, thus enabling faster convergence in a manner similar to accelerated gradient descent algorithms. We discuss the difficulties that arise when incorporating a NN into an iterative reconstruction algorithm and show how they can be overcome with iterative training. We apply our method to simulated and experimental data of gold nanoparticles on amorphous carbon and show that we can significantly speed up ptychographic reconstruction of the nanoparticles.

4DSTEM↗
DOE OSTI2025

Reinforcement Learning-Based Oscillation Dampening: Scaling Up Single-Agent Reinforcement Learning Algorithms to a 100-Autonomous-Vehicle Highway Field Operational Test

In this article, we explore the technical details of the reinforcement learning (RL) algorithms that were deployed in the largest field test of automated vehicles designed to smooth traffic flow in history as of 2023, uncovering the challenges and breakthroughs that come with developing RL controllers for automated vehicles. We delve into the fundamental concepts behind RL algorithms and their application in the context of self-driving cars, discussing the developmental process from simulation to deployment in detail, from designing simulators to reward function shaping. We present the results in both simulation and deployment, discussing the flow-smoothing benefits of the RL controller. From understanding the basics of Markov decision processes to exploring advanced techniques such as deep RL, our article offers a comprehensive overview and deep dive of the theoretical foundations and practical implementations driving this rapidly evolving field. We also showcase real-world case studies and alternative research projects that highlight the impact of RL controllers in revolutionizing autonomous driving. From tackling complex urban environments to dealing with unpredictable traffic scenarios, these intelligent controllers are pushing the boundaries of what automated vehicles can achieve. Furthermore, we examine the safety considerations and hardware-focused technical details surrounding deployment of RL controllers into automated vehicles. As these algorithms learn and evolve through interactions with the environment, ensuring their behavior aligns with safety standards becomes crucial. Here, we explore the methodologies and frameworks being developed to address these challenges, emphasizing the importance of building reliable control systems for automated vehicles.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

Data Readiness for AI: A 360-Degree Survey

Artificial Intelligence (AI) applications critically depend on data. Poor-quality data produces inaccurate and ineffective AI models that may lead to incorrect or unsafe use. Evaluation of data readiness is a crucial step in improving the quality and appropriateness of data usage for AI. R&D efforts have been spent on improving data quality. However, standardized metrics for evaluating data readiness for use in AI training are still evolving. In this study, we perform a comprehensive survey of metrics used to verify data readiness for AI training. This survey examines more than 140 papers published by ACM Digital Library, IEEE Xplore, journals such as Nature, Springer, and Science Direct, and online articles published by prominent AI experts. This survey aims to propose a taxonomy of data readiness for AI (DRAI) metrics for structured and unstructured datasets. We anticipate that this taxonomy will lead to new standards for DRAI metrics that would be used for enhancing the quality, accuracy, and fairness of AI training and inference.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Reducing the Parameter Dependency of Phase-Picking Neural Networks with Dice Loss

Training a neural network for picking seismic phase arrivals has been commonly posed as a segmentation problem. It is a highly imbalanced segmentation problem in the sense that the background vastly dominates the foreground because we are trying to pick the optimal single sample point that represents the arrival of a seismic phase in a many seconds long time window. Here, we test the Dice loss, which is a preferred loss function for highly imbalanced image segmentation problems. We show that phase-picking neural networks trained on the Dice loss behave in a binary fashion for which the prediction output is almost always either nearly 1 or nearly 0. This feature removes the strong dependence of data processing workflows on the prediction score threshold, which is an otherwise critical parameter to determine when using neural networks trained on the cross-entropy loss. When strategically used, models trained on the Dice loss can reduce the parameter dependency of machine learning-based seismic monitoring.

58 GEOSCIENCES↗
DOE OSTI2026

Prediction of non-intuitive metabolic targets with bayesian metabolic control analysis to improve 3-hydroxypropionic acid production in Aspergillus niger

Development of efficient bioconversion processes is limited by the ability to predictably improve metabolic flux. Here we deployed Bayesian Metabolic Control Analysis as a platform to integrate multi-omics data with metabolic modeling and evaluated its ability to predict genetic interventions that improve metabolic flux. Global Metabolomics and proteomics data was collected from 17 Aspergillus niger strains engineered to produce the platform biochemical 3-hydroxypropionic acid from which seven actional genetic interventions were predicted from significant flux control coefficients. Of the suggested genetic interventions, two were present within the intuitively designed strains used for training (malonic semialdehyde dehydrogenase and pyruvate carboxylase) while five predicted targets were present within non-intuitive areas of the metabolic network including 5-formyltetrahydrofolate deformylase and four mitochondrial enzymes, alcohol dehydrogenase, succinyl-CoA ligase, aspartate aminotransferase, and malate dehydrogenase. Six of the targets were validated in the highest performing 3-HP strain used for multi-omics data generation which contained a prior disruption of the highest scoring target malonic semialdehyde dehydrogenase. Predicted directional perturbation of five of the six tested targets significantly improved titer and rate of 3-HP production and two significantly improved yield. The greatest improvements were observed following disruption of the non-intuitive target succinyl-CoA ligase which increased titer by 39% and yield by 29% (to 20.4 g/L 3-HP and 0.31 g 3-HP/g glucose) over the strains used for training. This study demonstrates the utility of Bayesian Metabolic Control Analysis and highlights the ability to predict meaningful genetic targets in unexpected areas of metabolism to improve engineered strains for bioconversion.

3-hydroxypropionic acid↗