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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 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Synergies and trade-offs between storage, transmission, and sector coupling in high renewable energy systems

Energy storage, transmission, and sector coupling are some prominent flexibility solutions to support variable renewable energy (VRE) integration. However, investment cost uncertainties and public acceptance could hamper the deployment of these flexibility solutions. This raises questions about the development and cost-effectiveness of future energy systems, especially on how the dependence on local and cross-border solutions of flexibility would evolve if the uptake of these solutions is restricted. In this context, this paper identifies the synergies among flexibility options under restrictions on transmission expansion or increased costs of energy storage. It contributes to determining whether investments in energy storage and/or transmission expansion offer the least-cost transition and investigates the impact of sector coupling on these solutions. A long-term energy system planning and optimisation model towards 2050 is developed using the open-source energy system optimisation tool Balmorel, and a case study of the countries surrounding the Baltic Sea and the North Sea is established. Five cases with restrictions imposed on transmission expansion and higher energy storage technology costs are analysed at different levels of sector coupling. The results highlight the importance of transmission expansion at all levels of sector coupling. As the level of sector coupling increases, uncertainties around the cost of energy storage drive the least-cost pathways. Optimal investment solutions are found to have a mix of transmission and energy storage in capacity expansion at all levels of sector coupling.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2026

MapsTorch : automatic differentiation for X-ray fluorescence data analysis

X-ray fluorescence (XRF) is a popular spectroscopy technique for elemental analysis. Spectrum fitting and parameter tuning are at the core of XRF analysis and are conventionally manually intensive, especially for synchrotron experiments involving large amounts of diverse samples. This work introduces the automatic differentiation (AD) technique to XRF and an open-source package called MapsTorch. By transforming an analytical model of the XRF spectrum into a differentiable computation graph with AD, MapsTorch enables robust optimization of parameters and elemental intensities. We evaluate MapsTorch by conducting computational experiments on a large number of historical synchrotron XRF datasets and compare its performance with the currently practiced fitting tool NLopt. The results show that MapsTorch consistently achieves high-quality fits and often leads to better fitting quality than NLopt, particularly in tasks such as initial spectrum fitting and elemental intensity refinement. The robust performance of MapsTorch paves the way for developing automated and high-throughput XRF data analysis workflows to handle the increasing data volumes expected from next-generation synchrotron facilities.

X-ray fluorescence↗
DOE OSTI2026

buhito

buhito is a Python library for graph analysis and machine learning. Graphs can represent networks with objects as nodes and their relationships as edges. buhito focuses on graphlet methods that study graphs through enumerating their component subgraphs to enable interpretable and fast models of complex systems. The package provides tools for different algorithmic designs for computing, analyzing, and applying graphlets to research problems such as machine learning, data compression, and anomaly detection in graph-structured data. A central feature is performing decomposition data analysis on graphs for machine learning models. Implemented in Python and built upon open-source scientific libraries such as NetworkX, NumPy, and SciPy, buhito provides high-performance methods for researchers exploring the mathematical and computational foundations of graphlet analysis applicable to systems of different sizes.

Pimonova, Yulia↗
DOE OSTI2026

HydraGNN_GFM_FineTuning4Materials v1.0

This repository enables fine-tuning of the HydraGNN Predictive GFM 2026 — an open-source ensemble of pre-trained graph foundation models for atomistic materials modeling, developed at Oak Ridge National Laboratory. The GFM 2026 is freely available and downloadable via Globus from the OLCF Data Constellation (DOI: 10.13139/OLCF/2562660). Starting from these pre-trained weights, this repository provides a complete transfer learning pipeline for adapting the GFM ensemble to domain-specific molecular and materials property prediction tasks. It includes: 1) Utilities for ensemble fine-tuning with task-specific output heads 2) Example pipelines for eight widely-used materials and molecular datasets 3) Tools for model adaptation and head configuration 4) Data preprocessing utilities for each supported dataset 5) Benchmarking and evaluation scripts

Ungerboeck, Linda↗
DOE OSTI2021

Risk-Adaptive Experimental Design for High-Consequence Systems: LDRD Final Report

Constructing accurate statistical models of critical system responses typically requires an enormous amount of data from physical experiments or numerical simulations. Unfortunately, data generation is often expensive and time consuming. To streamline the data generation process, optimal experimental design determines the 'best' allocation of experiments with respect to a criterion that measures the ability to estimate some important aspect of an assumed statistical model. While optimal design has a vast literature, few researchers have developed design paradigms targeting tail statistics, such as quantiles. In this project, we tailored and extended traditional design paradigms to target distribution tails. Our approach included (i) the development of new optimality criteria to shape the distribution of prediction variances, (ii) the development of novel risk-adapted surrogate models that provably overestimate certain statistics including the probability of exceeding a threshold, and (iii) the asymptotic analysis of regression approaches that target tail statistics such as superquantile regression. To accompany our theoretical contributions, we released implementations of our methods for surrogate modeling and design of experiments in two complementary open source software packages, the ROL/OED Toolkit and PyApprox.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Optimizing Geospatial Assessments for Nuclear Safeguards Applications with Large Language Models

A multidisciplinary team at Argonne National Laboratory evaluated the ability of large language models (LLMs) to identify geographic locations from open-source text and assessed post-processing measures to strengthen the reliability of those extractions in support of international nuclear safeguards. The study focused on addressing challenges such as toponym ambiguity, imprecise descriptions, and misinformation, which often undermine the accuracy of LLM-derived geospatial assessments. By integrating authoritative geospatial datasets, employing rigorous validation techniques, and leveraging human-in-the-loop processes, the project aimed to enhance the precision, transparency, and reproducibility of geospatial localization workflows. The findings demonstrate that while LLMs exhibit significant potential for accelerating geospatial analysis, their outputs require systematic grounding and verification to ensure reliability in high-stakes applications. This work contributes to the broader field of geospatial intelligence and supports strategic objectives of international organizations such as the International Atomic Energy Agency (IAEA) and the U.S. Department of Energy (DOE).

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2015

Check-Cases for Verification of 6-Degree-of-Freedom Flight Vehicle Simulations: Appendices - Volume 2

This NASA Engineering and Safety Center (NESC) assessment was established to develop a set of time histories for the flight behavior of increasingly complex example aerospacecraft that could be used to partially validate various simulation frameworks. The assessment was conducted by representatives from several NASA Centers and an open-source simulation project. This document contains details on models, implementation, and results.

Murri, Daniel G.↗
NASA NTRS2021

Predicting near-saturated hydraulic conductivity in urban soils

Pedotransfer functions (PTFs) provide point predictions of soil hydraulic properties from more readily measured soil characteristics, yet uncertainties and biases in measurement methods, sampling distributions, and boundary conditions can limit accuracy when estimating near-saturated hydraulic conductivity (K(n)). These limitations may be particularly problematic in understudied urban landscapes that often contain altered hydraulic properties. To better treat deficiencies in PTF performance, we addressed three objectives, which were to: 1) develop PTFs to predict urban K(n), 2) assess bulk density and coarse fragments as explanatory variables; and 3) evaluate the predictive capability of these PTFs by comparing their output to measured hydraulic conductivity values from three other studies of urban soil hydraulics. We used artificial neural networks (ANN) and random forest (RF) approaches to predict urban K(n), with the training dataset including 307 tension infiltrometer tests and other measurements drawn from urban soil assessments in 11 U.S. cities. The PTFs utilized a hierarchy of inputs, starting with percentage sand, silt, clay, and then adding percentage coarse fragments and bulk density. The ANN models performed similar to the RF models, and all models exhibited similar or better predictive performance as models results collected from published articles. The inclusion of bulk density or coarse fragments did not improve accuracy over soil texture alone. Possible reasons for this result include low correlation between K(n) and bulk density and the exclusion of large voids during flow measurements with tension infiltrometers. The models have been made available as an open-source software package to encourage adoption by users working in urban systems.

Jinshi Jian↗
NASA NTRS2023

Technical Note: NASAaccess – A Tool for Access, Reformatting, and Visualization of Remotely Sensed Earth Observation and Climate Data

The National Aeronautics and Space Administration (NASA) has launched a new initiative, the Open-Source Science Initiative (OSSI), to enable and support science towards openness. The OSSI supports open-source software development and dissemination. In this work, we present NASAaccess, which is an open-source software package and web-based environmental modeling application for earth observation data accessing, reformatting, and presenting quantitative data products. The main objective of developing the NASAaccess platform is to facilitate exploration, modeling, and understanding of earth data for scientists, stakeholders, and concerned citizens whose objectives align with the new OSSI goals. The NASAaccess platform is available as software packages (i.e., the R and conda packages) as well as an interactive-format web-based environmental modeling application for earth observation data developed with Tethys Platform. NASAaccess has been envisioned as lowering the technical barriers and simplifying the process of accessing scalable distributed computing resources and leveraging additional software for data and computationally intensive modeling frameworks. Specifically, NASAaccess has been developed to meet the need for seamless earth observation remote-sensing and climate data ingestion into various hydrological modeling frameworks. Moreover, NASAaccess is also contributing to keeping interested parties and stakeholders engaged with environmental modeling, accessing the information available in various remote-sensing products. NASAaccess' current capabilities cover various NASA datasets and products that include the Global Precipitation Measurement (GPM) data products, the Global Land Data Assimilation System (GLDAS) land surface states and fluxes, and the NASA Earth Exchange Global Daily Downscaled Projections (NEX-GDDP) Coupled Model Intercomparison Project Phase 5 (CMIP5) and Coupled Model Intercomparison Project Phase 6 (CMIP6) climate change dataset products.

Ibrahim Nourein Mohammed↗
NASA NTRSDate not supplied

Classification of Notices to Airmen using Natural Language Processing

This paper establishes the feasibility of using Natural Language Processing (NLP) to classify NOTAMs or Notices to Airmen – a pilot messaging framework to gather real-time situational awareness. Present day air mobility operations heavily rely on NOTAMs. However, pilots often have difficulty interpreting NOTAMs due to the sheer volume of inapplicable messages and unclear abbreviations. Using NLP, the presented study analyzes the accuracy of classifying NOTAMs and, thereby, the efficiency of generating actionable interpretations in real time. To this effect, efficacies of four NLP neural network architectures were analyzed, including three Recurrent Neural Networks (RNNs) with GloVe, Word2Vec, and FastText word embeddings, and one trained Bi-Directional Encoder Representations from Transformers (BERT) model. The four neural networks were trained and evaluated on three open-source datasets of varying text lengths, vocabularies, and grammars, taken from e-commerce product descriptions, social media tweets, and unstructured descriptions for data and analytics services on open data marketplaces such as NASA’s Data and Reasoning Fabric (DRF) platform. This provided cross-analysis of each neural network architecture’s performance per text type. The best performing architecture, BERT, was then fine-tuned on a collection of open-source NOTAM data. Post-training, a real-time NOTAM classification service was implemented to draw inference on new NOTAMs using the trained model, which demonstrated close to 99% accuracy in classification. This modular classification service is envisioned to be integrated with a data and analytics delivery platform, such as the DRF, thus availing real-time contextualization of NOTAMs to air mobility clients, humans, and machines for enhanced decision making.

Aiden C. Szeto↗
NASA NTRSDate not supplied

Classification of Notices to Airmen using Natural Language Processing

This paper establishes the feasibility of using Natural Language Processing (NLP) to classify NOTAMs or Notices to Airmen – a pilot messaging framework to gather real-time situational awareness. Present day air mobility operations heavily rely on NOTAMs. However, pilots often have difficulty interpreting NOTAMs due to the sheer volume of inapplicable messages and unclear abbreviations. Using NLP, the presented study analyzes the accuracy of classifying NOTAMs and, thereby, the efficiency of generating actionable interpretations in real time. To this effect, efficacies of four NLP neural network architectures were analyzed, including three Recurrent Neural Networks (RNNs) with GloVe, Word2Vec, and FastText word embeddings, and one trained Bi-Directional Encoder Representations from Transformers (BERT) model. The four neural networks were trained and evaluated on three open-source datasets of varying text lengths, vocabularies, and grammars, taken from e-commerce product descriptions, social media tweets, and unstructured descriptions for data and analytics services on open data marketplaces such as NASA’s Data and Reasoning Fabric (DRF) platform. This provided cross-analysis of each neural network architecture’s performance per text type. The best performing architecture, BERT, was then fine-tuned on a collection of open-source NOTAM data. Post-training, a real-time NOTAM classification service was implemented to draw inference on new NOTAMs using the trained model, which demonstrated close to 99% accuracy in classification. This modular classification service is envisioned to be integrated with a data and analytics delivery platform, such as the DRF, thus availing real-time contextualization of NOTAMs to air mobility clients, humans, and machines for enhanced decision making.

Aiden Szeto↗
NASA NTRS2024

Hyper Illumination of Exoplanets: Analytical and Numerical Approaches

This work describes the illumination of exoplanets whose orbits are close enough to their host star that the finite angular size of their host star causes hyper illumination, in which more than 50% of the planet receives light. Such exoplanets include the hot Jupiters KELT-9 b (64.5% illuminated) and Kepler-91 b (69.6% illuminated). We describe the geometry of three primary illumination zones: the fully illuminated zone, penumbral zone, and unilluminated zone. The integrals required to determine the incident radiation as a function of position from the substellar point on the exoplanet are explained and derived, and the analytical solution is presented within the fully illuminated zone. We find that the illumination predicted by our model is greater at the substellar point than the typical plane-parallel ray model used would suggest. In addition, it is greater within the region of the penumbral zone extending into the antistellar side of the exoplanet. Finally, we compare our model to that used in starry, an open-source software package used to create albedo maps. It appears that starry may be overestimating the illumination of closely orbiting exoplanets because the foreshortening of the area element of the host star is not included in its calculation.

Exoplanets↗
NASA NTRSDate not supplied

Impact of Anthropogenic Activity, Climate Change, and Urbanization on Wetland Habitat in the Platte River Basin​

The Platte River Basin (PRB) is a dynamic ecosystem where wetlands play a pivotal role as essential habitats for various flora and fauna, including local and migratory birds. It provides many crucial ecosystem services that benefit humans directly and indirectly. However, anthropogenic activity, climate change, and urbanization have resulted in decline in wildlife habitat, elevated flood risk, and wetland loss. To address this issue, NASA DEVELOP partnered with Audubon Great Plains (AGP) to address the vital habitats within urban areas to protect bird species, reduce flood hazards, and analyze the potential impact of future development on wetlands. We utilized remotely sensed data from Landsat 8 Operational Land Imager (OLI), Sentinel-2 Multispectral Instrument (MSI), and Sentinel-1 Synthetic Aperture Radar (SAR) to assess land use and land cover (LULC) change. Nighttime lights data from Suomi National Polar-orbiting Partnership (NPP) Visible Infrared Imaging Radiometer Suite (VIIRS) as well as NASA Socioeconomic Data and Applications Center (SEDAC) population data were also used as inputs to simulate urban growth potential up to 2050 using the open-source FUTure Urban-Regional Environment Simulation (FUTURES) model. A broad scale analysis across 13 focal cities showed varied changes in land use patterns across the PRB, with the most notable being a decrease in agricultural land coverage and an increase in vegetation and grassland coverage. We overlaid a flood extent map with the LULC classifications in Grand Island to identify possible restoration sites under AGP’s Urban Woods and Prairies Initiative. The results for two proposed scenarios showed that at least 51 counties out of 81 in the PRB would experience growth by year 2050. The first scenario (all wetlands are protected) showed that there will be no loss of wetlands by 2050. However, the second scenario (no wetlands are protected) showed a decrease in wetland area and loss of habitat for bird conservation. The results will help AGP to lead awareness workshops for communities about wetland protection and to form impactful conservation strategies in the future.​

Nancee Uniyal↗
DOE OSTI2023

Adaptive, Active Learning, and Multifidelity Monte Carlo Methods in the MOOSE Stochastic Tools Module

MOOSE is an open-source computational platform for constructing multi-physics models and executing them in a massively parallel fashion. It has a stochastic tools module (STM) for forward/inverse uncertainty quantification (UQ) and surrogate modeling. This presentation details some recent developments to the STM with respect to the implementation of adaptive, active learning, and multifidelity Monte Carlo methods for forward UQ of computational models. Specifically, the adaptive Monte Carlo methods include Markov Chain Monte Carlo (MCMC)-driven algorithms like adaptive importance sampling and parallelized subset simulation for statistical QoI estimation, rare events analysis, and stochastic gradient-free optimization. The active learning methods include Gaussian Process (GP) surrogates and their training via Adam optimization, design of acquisition functions, and integration with samplers like Monte Carlo, adaptive importance, and parallelized subset simulation. These active learning methods are also designed to work in a batch mode, wherein, the required calls to the full computational model are executed in parallel whenever a user-specified batch size is met. The multifidelity methods in STM are broadly divided into two categories: hierarchical, where a defined hierarchy exists among the low-fidelity models, and peer, where all the low-fidelity models are treated equally. A GP surrogate is used to learn the differences between the low- and high-fidelity models in both multifidelity categories, and acquisition functions from the active learning classes are used to decide whether to rely on a low-fidelity model or call the expensive high-fidelity model. Alongside the software description and usage, applications are also presented to nuclear engineering computational models including a TRISO nuclear fuel particle, a reactor pressure vessel, and a heat-pipe microreactor.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

ReEDS Performance Improvement

The Regional Energy Deployment System (ReEDS) is an open-source, spatially explicit, long-term capacity expansion model for the bulk electric power system of the contiguous United States, encompassing multiple scenarios with technological and political assumptions (see https://github.com/NREL/ReEDS-2.0). With the increased needs for capabilities, higher temporal and spatial resolutions to model the evolution of the power system with modern technologies and low-carbon pathways, ReEDS' model solution times have increased significantly from 4-6 hours in 2018 to 18-48+ hours in 2023 . Also, the model size for commonly-run ReEDS scenarios reached 22 and 28 million equations and variables, respectively. These runtimes can be especially challenging under certain scenario settings (e.g., very high temporal or spatial resolution) or with limited computational power. In this presentation, we will discuss several methods we used to improve model runtime, including data preparation, model modification, and solver tuning. The implementation of these methods shrank the model size to 7.2 and 7.3 million equations and variables, respectively. Furthermore, this led to a 77% reduction in the model's run time for commonly-run ReEDS scenarios. We will discuss the process of identifying areas for solve time improvements and how the specific enhancements for the ReEDS model might be applied to other similar large-scale models.

ENERGY PLANNING, POLICY, AND ECONOMY,MATHEMATICS A↗
DOE OSTI2024

Development of The DOME Shield Model For The NRIC Virtual Test Bed

As several advanced reactor concepts are maturing, test beds are needed to accelerate the demonstration and deployment of these advanced nuclear technologies. The National Reactor Innovation Center (NRIC) is building new or enhancing existing US Department of Energy infrastructure to support testing of components and systems. Demonstration of Microreactor Experiments (DOME) will utilize the Experimental Breeder Reactor-II (EBR-II) dome containment structure to host reactor demonstrations. A reactor supplemental shielding is needed so that DOME dose requirements are met. To accelerate the confirmatory analysis required for the reactor demonstration, the NRIC Virtual Test Bed (VTB) is developing a virtual model of the DOME shield that will be made available on the VTB public repository. This will allow developers to leverage advanced modeling and simulation tools to ensure their reactor demonstration concept will meet dose requirement and the limit concrete temperature in the shield during steady state and transient operation conditions. This paper presents the model developed for the DOME shield using open-source tools: MOOSE heat transfer module, Monte Carlo code OpenMC, and Cardinal to calculate the DOME shield temperature distribution during steady state

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

PV Degradation Modeling: Applying Geospatial Workflows with "PVDeg"

Accurate degradation modeling is essential for predicting photovoltaic (PV) module performance, estimating longevity and informing design decisions. With degradation rates varying significantly by location, geospatial analysis is critical for PV and broader applications, such as agrivoltaics, weathering and environmental data analysis. This work presents PVDeg, an open-source tool designed for geospatial degradation analysis. PVDeg integrates meteorological data from global sources, including the National Solar Radiation Database (NSRDB) and Photovoltaic Geographical Information System (PVGIS), with degradation models. The toolkit enables users to customize geospatial workflows by integrating weather data, material parameters, and user-defined Python functions. It facilitates accelerated downloads of NSRDB and PVGIS datasets and optimizes geospatial point selection to preserve data density in regions of interest. Additionally, PVDeg provides a local database for storage and spatial queries, supporting large-scale analyses without the need for high-performance computing (HPC) resources. PVDeg provides a foundational workflow that extends its utility beyond PV applications, enabling researchers to analyze geospatial processes across discipline.

14 SOLAR ENERGY↗
DOE OSTI2021

An Application for Validation of Power Distribution System Models in an ADMS Environment

An accurate model of a power distribution system is the foundation for model-based applications that ensure efficient and reliable grid operation in an advanced distribution management system (ADMS) environment. However, these models are error-prone and comprehensive model validation is challenging due to lack of standards-based systems, data originating from disparate databases and other sources, and the constantly evolving nature of modern power distribution systems. In this paper, a novel framework for comprehensive model validation is described. The proposed application, the Model Validator, ensures that a model is both consistent and feasible by validating the derivative static and operational network model. A modular architecture for the application has been implemented and integrated with an open-source standards-based platform for ADMS application development, GridAPPS-D, allowing new validation capability to be added with minimal time and effort. The Model Validator application is demonstrated on the IEEE 13-bus, 123-bus, and 8500-node test cases over three validation scenarios.

Poudel, Shiva↗