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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 829 records · Page 46
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Towards data-driven constitutive modelling for granular materials via micromechanics-informed deep learning

The analytical description of path-dependent elastic-plastic responses of a granular system is highly complicated because of continuously evolving microstructures and strain localisation within the system undergoing deformation. This study offers an alternative to the current analytical paradigm by developing micromechanics-informed machine-learning based constitutive modelling approaches for granular materials. A set of critical variables associated with the constitutive behaviour of granular materials are identified through an incremental stress-strain relationship analysis. Depending on the strategy to exploit the priori micromechanical knowledge, three different training strategies are explored. The first model uses only the measurable external variables to make stress predictions; the second model utilises a directed graph to link all the external strain sequences and internal microstructural evolution variables into a single prediction model comprised of a series of sub-mappings, and the third model explicitly integrates the physically important non-temporal properties with external strain paths into training through an enhanced Gated Recurrent Unit (GRU). These three models show satisfactory agreement with unseen test specimens based on multi-directional loading cases. The basic features and potential applications of each model are explained. Lastly, the key factors for constitutive training and limitations of the current work are also discussed in detail.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Toward Accelerating Discovery via Physics-Driven and Interactive Multifidelity Bayesian Optimization

Both computational and experimental material discovery bring forth the challenge of exploring multidimensional and often nondifferentiable parameter spaces, such as phase diagrams of Hamiltonians with multiple interactions, composition spaces of combinatorial libraries, processing spaces, and molecular embedding spaces. Often these systems are expensive or time consuming to evaluate a single instance, and hence classical approaches based on exhaustive grid or random search are too data intensive. This resulted in strong interest toward active learning methods such as Bayesian optimization (BO) where the adaptive exploration occurs based on human learning (discovery) objective. However, classical BO is based on a predefined optimization target, and policies balancing exploration and exploitation are purely data driven. In practical settings, the domain expert can pose prior knowledge of the system in the form of partially known physics laws and exploration policies often vary during the experiment. Here, we propose an interactive workflow building on multifidelity BO (MFBO), starting with classical (data-driven) MFBO, then expand to a proposed structured (physics-driven) structured MFBO (sMFBO), and finally extend it to allow human-in-the-loop interactive interactive MFBO (iMFBO) workflows for adaptive and domain expert aligned exploration. These approaches are demonstrated over highly nonsmooth multifidelity simulation data generated from an Ising model, considering spin–spin interaction as parameter space, lattice sizes as fidelity spaces, and the objective as maximizing heat capacity. Detailed analysis and comparison show the impact of physics knowledge injection and real-time human decisions for improved exploration with increased alignment to ground truth. Here, the associated notebooks allow to reproduce the reported analyses and apply them to other systems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Physics-informed machine learning exploration of Na storage mechanisms in disordered carbon

Sodium-ion batteries are a cost-effective, sustainable alternative to lithium-ion systems for large-scale energy storage. However, optimizing sodium storage in carbon-based anodes with microstructural complexity and atomic disorder remains a major challenge. The intrinsic inhomogeneity of these materials produces diverse local environments, making it difficult for conventional methods to predict and control ion dynamics. Hard carbon (HC) anodes, composed of ranges of ordered-to-disordered graphitic and amorphous nanodomains, offer tunable ion storage and rate capacity, yet rationale design remains a challenge due to poorly understood correlation between local atomic feature and ion transport mechanism. Here, to address this challenge, we introduce a data-driven framework that integrates validated machine-learned interatomic potentials, large-scale molecular dynamics simulations, and machine learning to elucidate sodium transport mechanisms as a function of carbon and sodium loading densities. By computing per-ion structural descriptors and applying unsupervised learning, we identify distinct diffusion modes governed by microscopic features. Supervised analysis and correlation mapping then establish quantitative links between these transport regimes and processing variables such as bulk carbon density and sodium content. This physics-informed approach establishes quantitative structure–transport relationships and offers actionable design principles for engineering high-performance HC anodes.

Data-driven framework↗
DOE OSTI2024

Efficient Anomaly Detection Driven By Different Machine Learning Architectures And Models

The rapid growth and ubiquitous adoption of the internet and cyber-physical systems (CPS) have fundamentally transformed modern communication, work, and human-system interactions. While networks now form the backbone of critical digital ecosystems, enabling seamless data transmission across diverse, interconnected systems, this increased connectivity also expands the attack surface, making real-time detection of network intrusions and anomalies a pressing challenge. Detecting unusual activities within network infrastructure requires advanced data traffic analysis to differentiate between legitimate and malicious interactions. Traditional approaches to network anomaly detectionâ??such as rule-based and signature-based systemsâ??often depend on predefined patterns to identify known anomalies, limiting their effectiveness against emerging, stealthy, or previously unseen threats. These conventional methods suffer from high false alarm rates and fail to adapt to the ever-evolving nature of network traffic, particularly in large-scale, decentralized environments where data volume, velocity, and variety are constantly increasing. This dissertation presents artificial intelligence (AI)-driven approaches to anomaly detection that leverage graphics processing unit (GPU)-enabled high-performance computing (HPC) platforms for processing massive network traffic data and monitoring the components of cyber-physical systems (CPS) for potentially hazardous conditions. The research advances several key contributions: (1) Designing efficient machine learning techniques for CPS condition monitoring and anomaly detection; (2) enabling federated learning (FL) frameworks that enable distributed detection while preserving data privacy and system resilience; (3) exploring graph-based methodologies combining graph neural networks (GNN) and graph machine learning (ML) approaches for the Internet of Things (IoT) and automotive network security, and (4) performing distributed edge computing optimizations that integrate FL with scalable technologies for reduced communication overhead. Through extensive experiments, these methodologies demonstrate that complex anomaly detection and condition monitoring tasks can be achieved while balancing computational efficiency and detection accuracy through fine-grained network information processing. The frameworks developed in this research establish a robust foundation for network anomaly detection, providing scalable, adaptive, and privacy-preserving solutions for safeguarding CPS and IoT networks in an increasingly interconnected digital landscape. The practical implications of these research findings are significant, as they can inform the development of next-generation network security systems and contribute to the protection of critical infrastructure against sophisticated cyber attacks.

Marfo, William↗
DOE OSTI2022

Application of machine learning approaches in the analysis of mass absorption cross-section of black carbon aerosols: Aerosol composition dependencies and sensitivity analyses

Physics-based models typically require an in-depth understanding of a phenomenon and assumptions of the underlying process(es), which are often hard to obtain in practice, whereas data-driven machine learning models learn the structure and patterns in the training data without any prior theoretical assumptions and then use inference to develop useful predictions. A novel machine learning-based algorithm has been previously developed for the prediction of black carbon mass absorption cross-section (MAC BC ) and applied to a variety of different atmospheric environments. In contrast to light scattering theories which require assumptions about the underlying physics, this algorithm uses time-series data of aerosol properties to estimate the temporally-varying MAC BC at 870 nm. Here, we analyze our algorithm and discuss the influence of aerosol optical properties (such as Ångström exponents and single scattering albedo) and chemical composition on the model outputs and the associated accuracy. Additionally, we conduct sensitivity analyses on our models to understand how the predictions change in response to different sets of input variables. Our support vector machine (SVM) for regression model is the least sensitive to variations in the input variables, although all models tend to exhibit a degradation to their accuracy when scattering Ångström exponents are less than one.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Evaluation of cooling setpoint setback savings in commercial buildings using electricity and exterior temperature time series data

Commercial buildings account for a significant amount of total energy produced in the US, and the Heating Ventilation and Cooling (HVAC) systems are one of the most significant components of their overall consumption. In this study, we proposed a new data-driven approach to evaluate HVAC cooling systems in commercial buildings and identify savings opportunities. The focus is an investigation of the impact of thermostat setpoint setback but using only whole building, electricity data taken at 15-min intervals for the analysis. We conducted a comparative study of setpoint setback characteristics on 432 commercial buildings with 5 building usage types across the United States. To accomplish this, both piecewise and Random Forest regression algorithms were employed using electricity and exterior temperature datasets to identify operational characteristics and the effective setpoints in the building to determine the corresponding savings opportunities. Both occupied and unoccupied time periods were studied across cooling degree days (CDD), when air conditioning is typically operational. Here the results show that in commercial buildings, on average, cooling systems account for 9.5% of total consumption. When a one degree setback during the cooling season is applied, an average of approximately 1.1% of annual consumption is achieved; retail and office buildings demonstrate the highest potential for savings. Additionally, we identified that the number of cooling degree days and base to peak ratio (BPR) are the most important variables for predicting the magnitude of the consumption of cooling systems.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Combining variational autoencoders and physical bias for improved microscopy data analysis *

Electron and scanning probe microscopy produce vast amounts of data in the form of images or hyperspectral data, such as electron energy loss spectroscopy or 4D scanning transmission electron microscope, that contain information on a wide range of structural, physical, and chemical properties of materials. To extract valuable insights from these data, it is crucial to identify physically separate regions in the data, such as phases, ferroic variants, and boundaries between them. In order to derive an easily interpretable feature analysis, combining with well-defined boundaries in a principled and unsupervised manner, here we present a physics augmented machine learning method which combines the capability of variational autoencoders to disentangle factors of variability within the data and the physics driven loss function that seeks to minimize the total length of the discontinuities in images corresponding to latent representations. Our method is applied to various materials, including NiO-LSMO, BiFeO 3 , and graphene. The results demonstrate the effectiveness of our approach in extracting meaningful information from large volumes of imaging data. The customized codes of the required functions and classes to develop phyVAE is available at https://github.com/arpanbiswas52/phy-VAE.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1984

Pioneer 10 search for gravitational waves - No evidence for coherent radiation from Geminga

Attempts to identify a periodic gravitational wave signal from the binary Geminga in the reduced Doppler data from the Pioneer 10 spacecraft are reported. The study was performed to examine the possibility that the observed 160 min solar oscillation is driven by a gravitational wave from the binary, which has a period exactly one cycle different from the solar oscillation. Three 12 hr passes of Doppler data from Pioneer 10, now beyond the orbit of Neptune, were subjected to FFT analysis to detect a spectral gravitational wave signature. None was found. Least squares analysis of all low noise data from 1981 to characterize the amplitude and phase of a signal from Geminga also produced a null result. Finally, an upper bound was calculated for the polarization component of the potentially observable gravitational strain.

Anderson, J. D.↗
DOE OSTI2022

A Knowledge-based Framework for Building Energy Model Performance Verification

Building energy modeling (BEM) has been widely used by researchers, regulators, and engineers to quantify building energy performance. Quality assurance (QA) and quality control (QC) of the model's performance are essential parts of such analysis. Currently, QA/QC is done in a manual and ad-hoc manner, which is tedious, error-prone, and time-consuming when QA/QC a large number of models. To solve these challenges, we propose a a dAta-driveN buIlding perforMance verificATion framEwork (ANIMATE), which conducts automated output-based verification of building operations requirements (especially for time-series output-based verification of control requirements). While this framework was developed for verifying energy model performance, it can be extended for other applications such as BEM software testing and performance verification of real buildings in the field.

Chen, Yan↗
DOE OSTI2024

U.S. Department of Energy Collegiate Wind Competition 2025: Rules - Phases 2 and 3

The U.S. Department of Energy (DOE) Wind Energy Technologies Office's (WETO) Collegiate Wind Competition (CWC, also referred to as the "competition" in this rules document) invites interdisciplinary teams of undergraduate students from a variety of academic programs to solve complex wind energy challenges. Through the competition, WETO intends to offer students direct industry experience, valuable exposure to wind energy career pathways, and greater knowledge of wind energy's potential to contribute to a clean energy future. The competition will select up to 35 teams to start, making them eligible to compete for a cash prize pool of up to $280,000. Each year, the competition identifies a new challenge and set of activities that address real-world research questions, thus demonstrating skills that students will need to work in the wind or wider renewable energy industries. The Collegiate Wind Competition 2025 challenge requires participants to compete simultaneously in four contests: 1) Turbine Design Contest: Design, build, and present a unique, wind-driven power system. 2) Turbine Testing Contest: Test the wind turbine in a competition wind tunnel at the final event. 3) Project Development Contest: Research wind resource data, transmission infrastructure, and environmental factors to create a site plan and financial analysis for a hypothetical wind farm. 4) Connection Creation Contest: Partner with wind industry professionals, raise awareness of wind energy in your local community, and work with local media to promote your team's accomplishments. The competition does not prescribe a power system market or wind regime. It is expected that each team will participate in all four contests.

Collegiate Wind Competition↗
DOE OSTI2022

Recent progress in L-H transition studies at JET: Tritium, Helium, Hydrogen and Deuterium

In this report we present an overview of results from a series of L-H transition experiments undertaken at JET since the installation of the ITER-like-wall (JET-ILW), with Beryllium wall tiles and a Tungsten divertor. Tritium, Helium and Deuterium plasmas have been investigated. Initial results in Tritium show ohmic L-H transitions at low density and the power threshold for the L-H transition (P LH ) is lower in Tritium plasmas than in Deuterium ones at low densities, while we still lack contrasted data to provide a scaling at high densities. In Helium plasmas there is a notable shift of the density at which the power threshold is minimum (n e,min ) to higher values relative to Deuterium and Hydrogen references. Above n e,min (He) the L-H power threshold at high densities is similar for D and He plasmas. Transport modelling in slab geometry shows that in Helium neoclassical transport competes with interchange-driven transport, unlike in Hydrogen isotopes. Measurements of the radial electric field in Deuterium plasmas show that E r shear is not a good indicator of proximity to the L-H transition. Transport analysis of ion heat flux in Deuterium plasmas show a non-linearity as density is decreased below n e,min . Lastly, a regression of the JET-ILW Deuterium data is compared to the 2008 ITPA scaling law.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Transition in ICF Capsule Implosions

Longstanding design and reproducibility challenges in inertial confinement fusion (ICF) capsule implosion experiments involve recognizing the need for appropriately characterized and modeled three-dimensional initial conditions and high-fidelity simulation capabilities to predict transitional flow approaching turbulence, material mixing characteristics, and late-time quantities of interest—e.g., fusion yield. We build on previous coarse graining simulations of the indirect-drive national ignition facility (NIF) cryogenic capsule N170601 experiment-a precursor of N221205 which resulted in net energy gain. We apply effectively combined initialization aspects and multiphysics coupling in conjunction with newly available hydrodynamics simulation methods, including directional unsplit algorithms and low Mach-number correction-key advances enabling high fidelity coarse grained simulations of radiation-hydrodynamics driven transition. Our presentation includes discussion of the capsule initialization and implosion dynamics, analysis of the vorticity production budget, transition signatures, quantities of interest—late-time ion temperature and fusion-neutron yield, numerical uncertainty quantification, and comparisons with NIF data.

42 ENGINEERING↗
DOE OSTI2022

A Roadmap for Edge Computing Enabled Automated Multidimensional Transmission Electron Microscopy

The advent of modern, high-speed electron detectors has made the collection of multidimensional hyperspectral transmission electron microscopy datasets, such as 4D-STEM, a routine. However, many microscopists find such experiments daunting since analysis, collection, long-term storage, and networking of such datasets remain challenging. Some common issues are their large and unwieldy size that often are several gigabytes, non-standardized data analysis routines, and a lack of clarity about the computing and network resources needed to utilize the electron microscope. The existing computing and networking bottlenecks introduce significant penalties in each step of these experiments, and thus, real-time analysis-driven automated experimentation for multidimensional TEM is challenging. One solution is to integrate microscopy with edge computing, where moderately powerful computational hardware performs the preliminary analysis before handing off the heavier computation to high-performance computing (HPC) systems. In this work, we trace the roots of computation in modern electron microscopy, demonstrate deep learning experiments running on an edge system, and discuss the networking requirements for tying together microscopes, edge computers, and HPC systems.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

A framework for characterizing the ambient conditions experienced by light duty vehicles in the United States

The relationship between ambient conditions and light-duty vehicle energy consumption has been widely researched. Relatively little effort, however, has been dedicated to understanding representative ambient conditions a light-duty vehicle may experience. As such, the framework introduced in this article provides a means of quantifying ambient conditions specific to light-duty vehicle operation by incorporating both when and where vehicles are driven. The analysis presented expands the literature beyond solely focusing on temperature; distributions for humidity, solar irradiance, and air density are also included. A procedure is presented that calculates the ambient condition distributions for each metric by relating open-source data sets describing representative vehicle utilization and representative ambient conditions. While this study explores ambient conditions related to light-duty vehicle utilization, the framework may also be applied to separate vocations. Finally, the article concludes with an example use case of the ambient condition weighting process. A binning methodology is introduced that facilitates insight into vehicle energy consumption in response to ambient conditions at the national and local levels while minimizing the number of tests or simulations required.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2021

ALPINE Overview

Data-driven sampling enables probabilistic identification of interesting regions in the data automatically, prioritizing important regions. Applied in situ to Nyx, important halo regions are preserved.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1984

Outer satellite atmospheres: Their nature and planetary interactions

Significant insights regarding the nature and interactions of Io and the planetary magnetosphere were gained through modeling studies of the spatial morphology and brightness of the Io sodium cloud. East-west intensity asymmetries in Region A are consistent with an east-west electric field and the offset of the magnetic and planetary-spin axes. East-west orbital asymmetries and the absolute brightness of Region B suggest a low-velocity (3 km/sec) satellite source of 1 to 2 x 10(26) sodium atoms/sec. The time-varying spatial structure of the sodium directional features in near Region C provides direct evidence for a magnetospheric-wind-driven escape mechanism with a high-velocity (20 km/sec) source of 1 x 10(26) atoms/sec and a flux distribution enhanced at the equator relative to the poles. A model for the Io potassium cloud is presented and analysis of data suggests a low velocity source rate of 5 x 10(24) atoms/sec. To understand the role of Titan and non-Titan sources for H atoms in the Saturn system, the lifetime of hydrogen in the planetary magnetosphere was incorporated into the earlier Titan torus model of Smyth (1981) and its expected impact discussed. A particle trajectory model for cometary hydrogen is presented and applied to the Lyman-alpha distribution of Comet Kohoutek (1973XII).

Smyth, W. H.↗
NASA NTRS1988

Numerical analysis of laminar and turbulent incompressible flows using the finite element Fluid Dynamics Analysis Package (FIDAP)

The purpose of the study is the evaluation of the numerical accuracy of FIDAP (Fluid Dynamics Analysis Package). Accordingly, four test problems in laminar and turbulent incompressible flows are selected and the computational results of these problems compared with other numerical solutions and/or experimental data. These problems include: (1) 2-D laminar flow inside a wall-driven cavity; (2) 2-D laminar flow over a backward-facing step; (3) 2-D turbulent flow over a backward-facing step; and (4) 2-D turbulent flow through a turn-around duct.

Sohn, Jeong L.↗
NASA NTRS1988

OPSMODEL, an or-orbit operations simulation modeling tool for Space Station

The 'OPSMODEL' operations-analysis and planning tool simulates on-orbit crew operations for the NASA Space Station, furnishing a quantitative measure of the effectiveness of crew activities in various alternative Station configurations while supporting engineering and cost analyses. OPSMODEL is entirely data-driven; the top-down modeling structure of the software allows the user to control both the content and the complexity level of model definition during data base population. Illustrative simulation samples are given.

Davis, William T.↗