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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 793 records · Page 44
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Large-scale Cosmic-ray Anisotropies with 19 yr of Data from the Pierre Auger Observatory

Results are presented for the measurement of large-scale anisotropies in the arrival directions of ultra–high-energy cosmic rays detected at the Pierre Auger Observatory during 19 yr of operation, prior to AugerPrime, the upgrade of the observatory. The 3D dipole amplitude and direction are reconstructed above 4 EeV in four energy bins. Besides the established dipolar anisotropy in R.A. above 8 EeV, the Fourier amplitude of the 8–16 EeV energy bin is now also above the 5σ discovery level. No time variation of the dipole moment above 8 EeV is found, setting an upper limit to the rate of change of such variations of 0.3% yr$^{−1}$ at the 95% confidence level. Additionally, the results for the angular power spectrum are shown, demonstrating no other statistically significant multipoles. The results for the equatorial dipole component down to 0.03 EeV are presented, using for the first time a data set obtained with a trigger that has been optimized for lower energies. Finally, model predictions are discussed and compared with observations, based on two source emission scenarios obtained in the combined fit of spectrum and composition above 0.6 EeV.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Basic Research Needs for Inverse Methods for Complex Systems under Uncertainty

Inverse problems, which aim to infer unknown properties of a system using experimental and observational data, are central to addressing many of the U.S. Department of Energy’s (DOE) most critical scientific and engineering challenges. Accurate, computationally efficient, and data-efficient solutions to inverse problems are essential for advancing DOE mission-critical science drivers, including analyzing data from large-scale experimental facilities, optimizing fusion reactor performance, accelerating materials discovery, enhancing geophysical imaging, improving wildfire predictions, and enabling autonomous systems and digital twins. However, these problems are becoming increasingly complex, often involving nonlinear, highdimensional, and interconnected systems and models that span multiple physics and scales, while relying on data with varying quantity, quality, and information content. Compounding these challenges is the uncertainty inherent in DOE-relevant systems, where errors in inputs, noise in data, incompleteness of data, and discrepancies between models and reality constrain the accuracy and precision of solutions. At the same time, the convergence of recent scientific computing trends—scientific machine learning, artificial intelligence, and computing advances such as exascale computing—is creating unprecedented opportunities for tackling these challenges. The cross-cutting nature of inverse problems, combined with their growing complexity and rapidly evolving data and algorithmic demands, strongly motivates the formulation of a prioritized research agenda to maximize their capabilities and impact. In response to this need, DOE’s Advanced Scientific Computing Research (ASCR) program in the Office of Science convened the Workshop on Basic Research Needs for Inverse Problems for Complex Systems Under Uncertainty in June 2025. This workshop brought together experts across disciplines to identify grand challenges and major opportunities in the field. Through collaborative discussions, the workshop defined transformative research directions aimed at addressing the mathematical, statistical, and computational challenges posed by inverse problems under uncertainty. As a result of these efforts, four priority research directions (PRDs) were identified to guide future research and development in this area. These PRDs, summarized below, represent a roadmap for advancing the foundational science and mathematics of inverse problems, enabling robust, scalable, and uncertainty-aware solutions that are critical for DOE applications.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Randomized Algorithms for Symmetric Nonnegative Matrix Factorization

Symmetric Nonnegative Matrix Factorization (SymNMF) is a technique in data analysis and machine learning that approximates a matrix with a product of a nonnegative, low-rank matrix and it transpose. To design faster and more scalable algorithms for SymNMF we develop two randomized algorithms for its computation. The first method uses randomized matrix sketching to compute an initial low-rank approximation to the input matrix and proceeds to uses this as a low-rank input to rapidly compute a SymNMF. The second methods uses randomized leverage score sampling to approximately solve constrained least squares problems. Many successful methods for SymNMF rely on (approximately) solving sequences of constrained least squares problems. Here, we prove theoretically that leverage score sampling can approximately solve constrained least squares problems to e-accuracy. Finally we demonstrate both methods work in practice by applying them to graph clustering tasks on large real world data sets. These experiments show that our methods approximately maintain solution quality and achieve significant speed ups for both large dense and large sparse problems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

FAIRification, Quality Assessment, and Missingness Pattern Discovery for Spatiotemporal Photovoltaic Data

The ongoing growth of the photovoltaic market has pushed the demand for power forecasting and performance evaluation for a huge population of PV power plants. Through access to a large number of time series data sets from different power plants, we have found common issues that impede the modeling process. Namely, the time series data are hard to transfer between groups due to differences in variable nomenclature, and the quality of the data sets can vary. We address the issue of variable nomenclature by FAIRifying spatiotemporal PV time series data. Through the creation of a solar power plant ontology, we propose standards for the naming and structure of metadata used to describe the data from these power plants. Using the structure from this ontology, we have developed both R and Python packages for the automation of the FAIRification process. We have also developed an R package that automates the analysis of the quality of a data set through the designation of letter grades. With access to large time series data sets across many power plants, we can utilize spatiotemporal coherence between the sites in order to improve the quality of our data. To solve the issue of data missingness, we propose the use of Spatiotemporal-GNN autoencoders to detect and impute missing values from a data set by utilizing data from power plants nearby.

14 SOLAR ENERGY↗
DOE OSTI2023

Advancing research on compound weather and climate events via large ensemble model simulations

Societally relevant weather impacts typically result from compound events, which are rare combinations of weather and climate drivers. Focussing on four event types arising from different combinations of climate variables across space and time, here we illustrate that robust analyses of compound events — such as frequency and uncertainty analysis under present-day and future conditions, event attribution to climate change, and exploration of low-probability-high-impact events — require data with very large sample size. In particular, the required sample is much larger than that needed for analyses of univariate extremes. We demonstrate that Single Model Initial-condition Large Ensemble (SMILE) simulations from multiple climate models, which provide hundreds to thousands of years of weather conditions, are crucial for advancing our assessments of compound events and constructing robust model projections. Combining SMILEs with an improved physical understanding of compound events will ultimately provide practitioners and stakeholders with the best available information on climate risks.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Distributed Resources for the Earth System Grid Federation (ESGF) Advanced Management (DREAM). Final Report

Distributed Resources for the Earth System Grid Federation (ESGF) Advanced Management (DREAM) is a proposed system that will enable data from an infinite number of diverse sources to be organized and accessed from anywhere using any handheld or other computer device. The approach offers a powerful roadmap for the creation and integration of a unified knowledge base of an entire ecosystem, including its many geophysical, geographical, social, political, agricultural, energy, transportation, and cyber aspects. The resulting aggregation of data has the potential to generate an informational universe of unprecedented size that has never before been possible due to the prohibitive costs, managerial complexity, and technical barriers associated with ever-changing exponential-growth data flows. We envision that DREAM will accelerate discovery by enabling climate researchers, among other types of researchers, to manage, analyze, and visualize data from earth-scale measurements and simulations. DREAM’s success will be built on proven components that leverage existing services and resources. A key building block for DREAM will be the ESGF, chaired by Dean N. Williams. Expanding on the existing ESGF, the project will ensure that the access, storage, movement, and analysis of the large quantities of data that are processed and produced by diverse science projects can be dynamically distributed with proper resource management. Much of the Office of Science data is currently generated by multiple stand-alone facilities. DREAM can collect data accumulated from these facilities and incorporate it into a fully integrated network accessible from anywhere in the world. The result is a completely new paradigm shift for data management, analysis, and visualization enabling researchers to: Manage their calculations, data, tools, and research results; Ensure that all data are sharable, reproducible and (re)usable—accompanied by appropriate metadata describing its provenance, syntax, and semantics at creation; Advance application performance by selectively adapting APIs and services in response to scientific requirements and architectural complexities; and Provide scalable interactive resource management—navigate data and metadata at multiple levels, provide architecture-aware data integration, analysis and visualization tools. We will engage closely with DOE, NASA, and NOAA science groups working at the leading edge of computing. These engagements—in domains such as biology, climate, and hydrology—will allow us to advance disciplinary science goals and inform our development of technologies that can accelerate discovery across DOE more broadly. We will advertise and promote our technologies via dedicated workshops, tutorials, and sessions at conferences, stand-alone events with broad inter-disciplinary invitation, and engagements with leadership facilities.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Analysis of Automated Fault Detection and Diagnosis Records as an Indicator of HVAC Fault Prevalence: Methodology and Preliminary Results

Faults in commercial buildings can cause energy waste and other performance problems such as reduced occupant comfort, reduced equipment longevity, and increased noise. However, it is currently unknown how commonly faults occur in different equipment types. A method has been developed to estimate the prevalence of faults in air handling units, air terminal units, and rooftop units. This method includes two types of data. The first is data from several automated fault detection and diagnostics (AFDD) software technologies. This type of data provides a large sample that represents a wide range of building types, geographical locations, and equipment types. It includes fault diagnoses from thousands of buildings around the United States, as well as anonymized metadata describing the building and equipment characteristics. The number of fault records is in the order of 107. However, despite the size and richness of the data sample, this data contains some degree of inaccuracy, i.e., false positive and false negative findings. Therefore, the study includes a second type of data, coming from manual inspection of buildings that have had the same AFDD methods applied to them (from the commercial AFDD offerings). Since the field tests are conducted in buildings with AFDD-generated fault prevalence data, they can be combined with the larger sample size to provide insight into the potential biases or lower sensitivity of the AFDD data. Once a library of fault prevalence data is built, it will be studied to provide further insight into the drivers of fault prevalence, for example, whether prevalence is correlated with building type, geographical location (which is tied to climate and to utility rates), building size, etc. This paper describes the methods developed for this study and illustrates them with preliminary data. It discusses some of the challenges of harmonizing disparate outputs from multiple AFDD vendors, application of a unifying fault taxonomy, and fault prevalence metrics.

Ebrahimi Fakhar, Amir↗
DOE OSTI2024

Systematic uncertainty of off-shell corrections and higher-twist contribution in DIS at large x

We study the systematic uncertainty and biases introduced by theoretical assumptions needed to include large-x DIS data in a global QCD analysis. Working in the CTEQ-JLab framework, we focus on different implementations of higher-twist corrections to the nucleon structure functions and of offshell PDF deformations in deuteron targets and discuss how their interplay impacts the extraction of the d -quark PDF and the calculation of the neutron structure function at large x.

Cerutti, Matteo↗
DOE OSTI2026

Data Centers Gap Analysis [Slides]

Data centers and other large loads are a significant driver of unprecedented, near-term demand growth in the United States. Power system planners, utilities, regulators, and other stakeholders are grappling with how to integrate data centers on the system without comprising reliability, resiliency, and energy affordability. NLR is pursuing work to develop a siting and decision-making tool that would draw on power systems modeling expertise to achieve granular representation of trade-offs involved in data center sitting and development. This slide deck supports the same workstream by reviewing the literature to identify mitigation options to facilitate near-term integration of large loads and by presenting options for pursuing data development and/or modeling projects to improve representation of siting options.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2025

A Data Library of Liquid Clouds Modelled With a Large Eddy Simulation Framework

We describe a library of atmospheric large eddy simulations (LES) of liquid-phase boundary layer clouds constructed to enable aerosol–cloud–turbulence interaction studies, support parameterization evaluation and development, and provide training data for machine learning applications. The simulations use a modern LES framework designed for high numerical accuracy, coupled to a detailed spectral bin microphysical scheme. Case studies are configured to represent observed conditions in four key global cloud regions—the Northeastern Atlantic, Northeastern Pacific, Continental United States and Southern Ocean—following a semi-idealised approach. The library also includes aerosol concentration halving and doubling experiments to expose the sensitivities of the case studies to aerosol perturbations. Simulation results are compared to observations on a case-by-case basis, then the library's coverage is evaluated in terms of spreads in meteorological factors and atmospheric boundary layer attributes.

aerosol↗
DOE OSTI2025

Chromatin structures from integrated AI and polymer physics model

The physical organization of the genome in three-dimensional space regulates many biological processes, including gene expression and cell differentiation. Three-dimensional characterization of genome structure is critical to understanding these biological processes. Direct experimental measurements of genome structure are challenging; computational models of chromatin structure are therefore necessary. We develop an approach that combines a particle-based chromatin polymer model, molecular simulation, and machine learning to efficiently and accurately estimate chromatin structure fromindirectmeasures of genome structure. More specifically, we introduce a new approach where the interaction parameters of the polymer model are extracted from experimental Hi-C data using a graph neural network (GNN). We train the GNN on simulated data from the underlying polymer model, avoiding the need for large quantities of experimental data. The resulting approach accurately estimates chromatin structures across all chromosomes and across several experimental cell lines despite being trained almost exclusively on simulated data. The proposed approach can be viewed as a general framework for combining physical modeling with machine learning, and it could be extended to integrate additional biological data modalities. Ultimately, we achieve accurate and high-throughput estimations of chromatin structure from Hi-C data, which will be necessary as experimental methodologies, such as single-cell Hi-C, improve.

Biochemistry & Molecular Biology↗
DOE OSTI2024

Diagnosing hot-spot symmetry in surrogate ignition experiments via secondary DT-neutron spectroscopy at the NIF

The directional energy spectrum of neutrons generated from the in-flight fusion reaction of 1-MeV tritons contains information about the hot-spot symmetry. The National Ignition Facility (NIF) fields Symmetry Capsule (Symcap) implosions, which have historically measured the symmetry of the radiation, drive by measuring the hot-spot shape via x-ray self-emission. Symcaps are used to tune the hot-spot symmetry for ignition experiments at the NIF. This work shows the relationship between directional secondary DT-n spectra and x-ray imaging data for a large database of Symcap implosions. A correlation is observed between the relative widths of the DT-n spectra measured with nTOFs and the shape measured with x-ray imaging. A Monte Carlo model, which computes the directional secondary DT-n spectrum, is used to interpret the results. A comparison of the x-ray and secondary DT-n data with the Monte Carlo model indicates that 56% of the variance between the two datasets is explained by a P2 asymmetry. More advanced simulations using HYDRA suggest that the unaccounted variance is due to P1 and P4 asymmetries present in the hot spot. The comparison of secondary DT-n data and x-ray imaging data to the modeling shows the DT-n data contain important information that supplements current P2 measurements and contain new information about the P1 asymmetry.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Systemwide Planning with a Branch-and-Price Algorithm for Pavement-Marking Assessment Data Collection via the Mobile Retroreflectivity Unit Routing Model

The visibility of pavement markings is one of the most critical factors for traffic safety, and a periodical assessment plan is crucial for maintaining this function. Traditional assessment methods, such as visual windshield surveys or manual testing using handheld devices, are unsafe, time-consuming, and labor-intensive. In recent years, transportation agencies have begun to adopt the use of mobile retroreflectivity units (MRUs) for condition assessment of pavement markings. MRUs, different from other manual methods, can be utilized to collect large-scale retroreflectivity data in an efficient manner. However, no relevant research has yet proposed a mathematical optimization model for arranging the evaluation schedule and paths of MRUs. This study aims to propose a MRU routing model, and an efficient solution methodology. A branch-and-price algorithm, including column generation and branch-and-bound, was implemented. Computational experiments have been conducted based on actual tasks from the Florida MRU program for validation. In conclusion, results show that the proposed solution methodology with a set partitioning model in this study not only finds the optimal solution for problems with tasks less than 60, but also effectively narrows the solution gap to be within 1.0% for problems with tasks less than 131.

42 ENGINEERING↗
DOE OSTI2024

Efficient Scalable Contact Network Generation from Population Data

Modeling the contacts among a population is critical to understanding the dynamics of a disease outbreak. Contact networks, where nodes are individuals and edges are contacts among them, are used to represent these complex individual-level interactions. In this work, we are given the daily activity schedules of an urban population that represent the activity location and time of individuals in a population during a single twenty four hour period over multiple days. Using collocation to determine contact between individuals, our goal is to extract hourly contact networks from large-scale activity data. We improve upon the existing adjacency matrix-based method by implementing our custom sparse matrix multiplication algorithm. Starting with a Python implementation, we achieve a 1600x speed up in the computation with a fast custom designed sparse matrix multiplier algorithm implemented in the C++ language. This work is central to future parallel designs of the problem.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Automated and High-Throughput Phase Separation Control for Supramolecular Polymer Blends Enabled by Machine Learning

Supramolecular polymer blends (SPBs) offer tunable morphologies that dictate their macroscopic properties, yet their rational design is limited by the absence of predictive structure−morphology models. Here, we introduce a data-driven highthroughput workflow that integrates modular polymer synthesis, robotic formulation, automated morphology characterization, and machine learning (ML) for accelerated SPB discovery. Using a plug-and-play synthetic strategy, 33 hydrogen-bonding endfunctional homopolymers were prepared and orthogonally combined to generate 260 SPBs in 1 day. A fully automated atomic force microscopy (AFM) pipeline enabled systematic imaging, producing 2340 morphology data sets with minimal human intervention. Domain spacings were extracted through complementary imageprocessing methods and used to train ML models. A support vector regression (SVR) model accurately predicted target phase-separation sizes (50, 100, and 150 nm), which were experimentally validated. This work demonstrates the power of coupling high-throughput experimentation with ML to accelerate morphology discovery and provides one of the first large-scale experimental data sets for supramolecular polymer systems.

ML-guided polymer design↗
DOE OSTI2022

In situ feature analysis for large-scale multiphase flow simulations

The study of multiphase flow is essential for designing chemical reactors such as fluidized bed reactors (FBR), as a detailed understanding of hydrodynamics is critical for optimizing reactor performance and stability. An FBR allows scientists to conduct different types of chemical reactions involving multiphase materials, especially interaction between gas and solids. During such complex chemical processes, the formation of void regions in the reactor, generally termed as bubbles, is an important phenomenon. The study of these bubbles has a deep implication in predicting the reactor’s overall efficiency. But physical experiments needed to understand bubble dynamics are costly and non-trivial due to the technical difficulties involved and harsh working conditions of the reactors. Therefore, to study such chemical processes and bubble dynamics, a state-of-the-art computational simulation MFIX-Exa is being developed. Despite the proven accuracy of MFIX-Exa in modeling bubbling phenomena, the large-scale output data prohibits the use of traditional post hoc analysis capabilities in both storage and I/O time. Herein, to address these issues and allow the application scientists to explore the bubble dynamics in an efficient and timely manner, we have developed an end-to-end analytics pipeline that enables in situ detection of bubbles, followed by a flexible post hoc visual exploration methodology of bubble dynamics. The proposed method enables interactive analysis of bubbles, along with quantification of several bubble characteristics, enabling experts to understand the bubble interactions in detail. Positive feedback from the experts has indicated the efficacy of the proposed approach for exploring bubble dynamics in very-large-scale multiphase flow simulations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Charge radii of exotic neon and magnesium isotopes

We compute the charge radii and ground-state energies of even-mass neon and magnesium isotopes from neutron number N = 8 to the dripline. Our calculations are based on nucleon-nucleon and three-nucleon potentials from chiral effective field theory that include Δ isobars. These potentials yield an accurate saturation point and symmetry energy of nuclear matter. We use the coupled-cluster method and start from an axially symmetric reference state. Binding energies and two-neutron separation energies largely agree with data, and the dripline in neon is accurate. The computed charge radii are accurate for many isotopes where data exist. Finer details, such as isotope shifts, however, are not accurately reproduced. These chiral potentials indicate a subshell closure at N = 14 for the radii (but not for two-neutron separation energies) and a decrease in charge radii at N = 8 (observed in neon and predicted for magnesium). Furthermore, they yield a continued increase of charge radii as neutrons are added beyond N = 14 yet underestimate the large increase at N = 20 in magnesium.

20 ≤ A ≤ 38↗