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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 1,297 records · Page 72
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Development of Machine-Learned Interatomic Potentials to Predict Structure, Transport, and Reactivity in Platinum-Based Fuel Cells

Machine-learned interatomic potentials (MLIPs) have rapidly progressed in accuracy, speed, and data efficiency in recent years. However, training robust MLIPs in multicomponent systems remains a challenge. In this work, we train an MLIP to describe hydrated Nafion ionomers and platinum catalysts, which are important components of fuel cells, by constructing a diverse training set to describe the bulk polymer and interfacial catalyst–polymer interactions well. We use our trained MLIP to study the properties of the platinum–Nafion system, including polymer structure, proton mobility in a bulk Nafion polymer and near a platinum-Nafion interface, and reactions near and far from the interface, finding excellent results for structure and reactions contained within our training set. Transport seems to be well described, with both vehicular transport and Grotthuss hopping captured, although converged calculations of diffusivities were not computed because they require calculations of tens of nanoseconds that are challenging with current state-of-the-art MLIPs. The combined insights that this model provides can be leveraged to optimize fuel cell performance, and the approach can be applied to other chemical processes and devices where structure, transport, and reactivity all contribute to the overall observed performance.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2019

Hybridizing Classifiers and Collection Systems to Maximize Intelligence and Minimize Uncertainty in National Security Data Analytics Applications

There are numerous applications that combine data collected from sensors with machine-learning based classification models to predict the type of event or objects observed. Both the collection of the data itself and the classification models can be tuned for optimal performance, but we hypothesize that additional gains can be realized by jointly assessing both factors together. Through this research, we used a seismic event dataset and two neural network classification models that issued probabilistic predictions on each event to determine whether it was an earthquake or a quarry blast. Real world applications will have constraints on data collection, perhaps in terms of a budget for the number of sensors or on where, when, or how data can be collected. We mimicked such constraints by creating subnetworks of sensors with both size and locational constraints. We compare different methods of determining the set of sensors in each subnetwork in terms of their predictive accuracy and the number of events that they observe overall. Additionally, we take the classifiers into account, treating them both as black-box models and testing out various ways of combining predictions among models and among the set of sensors that observe any given event. We find that comparable overall performance can be seen with less than half the number of sensors in the full network. Additionally, a voting scheme that uses the average confidence across the sensors for a given event shows improved predictive accuracy across nearly all subnetworks. Lastly, locational constraints matter, but sometimes in unintuitive ways, as better-performing sensors may be chosen instead of the ones excluded based on location. This being a short-term research effort, we offer a lengthy discussion on interesting next-steps and ties to other ongoing research efforts that we did not have time to pursue. These include a detailed analysis of the subnetwork performance broken down by event type, specific location, and model confidence. This project also included a Campus Executive research partnership with Texas A&M University. Through this, we worked with a professor and student to study information gain for UAV routing. This was an alternative way of looking at the similar problem space that includes sensor operation for data collection and the resulting benefit to be gained from it. This work is described in an Appendix.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Progress in Machine Learning Studies for the CMS Computing Infrastructure

Here, computing systems for LHC experiments developed together with Grids worldwide. While a complete description of the original Grid-based infrastructure and services for LHC experiments and its recent evolutions can be found elsewhere, it is worth to mention here the scale of the computing resources needed to fulfill the needs of LHC experiments in Run-1 and Run-2 so far.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1992

Adaptive defuzzification for fuzzy systems modeling

We propose a new parameterized method for the defuzzification process based on the simple M-SLIDE transformation. We develop a computationally efficient algorithm for learning the relevant parameter as well as providing a computationally simple scheme for doing the defuzzification step in the fuzzy logic controllers. The M-SLIDE method results in a particularly simple linear form of the algorithm for learning the parameter which can be used both off- and on-line.

Yager, Ronald R.↗
DOE OSTI2024

Uncertainty Quantification and Sensitivity Analysis of Low-Dimensional Manifold via Co-Kurtosis PCA in Combustion Modeling

For multi-scale multi-physics applications e.g., the turbulent combustion code Pele, robust and accurate dimensionality reduction is crucial to solving problems at exascale and beyond. A recently developed technique, Co-Kurtosis based Principal Component Analysis (CoK-PCA) which leverages principal vectors of co-kurtosis, is a promising alternative to traditional PCA for complex chemical systems. To improve the effectiveness of this approach, we employ Artificial Neural Networks for reconstructing thermo-chemical scalars, species production rates, and overall heat release rates corresponding to the full state space. Our focus is on bolstering confidence in this deep learning based non-linear reconstruction through Uncertainty Quantification (UQ) and Sensitivity Analysis (SA). UQ involves quantifying uncertainties in inputs and outputs, while SA identifies influential inputs. One of the noteworthy challenges is the computational expense inherent in both endeavors. To address this, we employ the Monte Carlo methods to effectively quantify and propagate uncertainties in our reduced spaces while managing computational demands. Our research carries profound implications not only for the realm of combustion modeling but also for a broader audience in UQ. By showcasing the reliability and robustness of CoK-PCA in dimensionality reduction and deep learning predictions, we empower researchers and decision-makers to navigate complex combustion systems with greater confidence.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Machine learning predictions for local electronic properties of disordered correlated electron systems

We present a scalable machine learning (ML) model to predict local electronic properties such as on-site electron number and double occupation for disordered correlated electron systems. Our approach is based on the locality principle, or the nearsightedness nature, of many-electron systems, which means local electronic properties depend mainly on the immediate environment. A ML model is developed to encode this complex dependence of local quantities on the neighborhood. We demonstrate our approach using the square-lattice Anderson-Hubbard model, which is a paradigmatic system for studying the interplay between Mott transition and Anderson localization. We develop a lattice descriptor based on the group-theoretical method to represent the on-site random potentials within a finite region. The resultant feature variables are used as input to a multilayer fully connected neural network, which is trained from data sets of variational Monte Carlo (VMC) simulations on small systems. We show that the ML predictions agree reasonably well with the VMC data. Our work underscores the promising potential of ML methods for multiscale modeling of correlated electron systems.

36 MATERIALS SCIENCE↗
NASA NTRS1990

Resource Allocation Planning Helper (RALPH): Lessons learned

The current task of Resource Allocation Process includes the planning and apportionment of JPL's Ground Data System composed of the Deep Space Network and Mission Control and Computing Center facilities. The addition of the data driven, rule based planning system, RALPH, has expanded the planning horizon from 8 weeks to 10 years and has resulted in large labor savings. Use of the system has also resulted in important improvements in science return through enhanced resource utilization. In addition, RALPH has been instrumental in supporting rapid turn around for an increased volume of special what if studies. The status of RALPH is briefly reviewed and important lessons learned from the creation of an highly functional design team are focused on through an evolutionary design and implementation period in which an AI shell was selected, prototyped, and ultimately abandoned, and through the fundamental changes to the very process that spawned the tool kit. Principal topics include proper integration of software tools within the planning environment, transition from prototype to delivered to delivered software, changes in the planning methodology as a result of evolving software capabilities and creation of the ability to develop and process generic requirements to allow planning flexibility.

Durham, Ralph↗
NASA NTRS2010

Updates of Land Surface and Air Quality Products in NASA MAIRS and NEESPI Data Portals

Following successful support of the Northern Eurasia Earth Sciences Partner Initiative (NEESPI) project with NASA satellite remote sensing data, from Spring 2009 the NASA GES DISC (Goddard Earth Sciences Data and Information Services Center) has been working on collecting more satellite and model data to support the Monsoon Asia Integrated Regional Study (MAIRS) project. The established data management and service infrastructure developed for NEESPI has been used and improved for MAIRS support.Data search, subsetting, and download functions are available through a single system. A customized Giovanni system has been created for MAIRS.The Web-based on line data analysis and visualization system, Giovanni (Goddard Interactive Online Visualization ANd aNalysis Infrastructure) allows scientists to explore, quickly analyze, and download data easily without learning the original data structure and format. Giovanni MAIRS includes satellite observations from multiple sensors and model output from the NASA Global Land Data Assimilation System (GLDAS), and from the NASA atmospheric reanalysis project, MERRA. Currently, we are working on processing and integrating higher resolution land data in to Giovanni, such as vegetation index, land surface temperature, and active fire at 5km or 1km from the standard MODIS products. For data that are not archived at the GESDISC,a product metadata portal is under development to serve as a gateway for providing product level information and data access links, which include both satellite, model products and ground-based measurements information collected from MAIRS scientists.Due to the large overlap of geographic coverage and many similar scientific interests of NEESPI and MAIRS, these data and tools will serve both projects.

Shen, Suhung↗
DOE OSTI2023

Developing machine-learning potentials to study properties of the tritium formation and diffusivity in pure and defective Zircaloy-4 getters

Objective of this work was to study the formation of Sn impurity and hydride phases in Zr and study their impacts on the diffusion kinetics of 3 H by using DFT based ML approach. By implementing deep neural potential (DNP) technique, we developed potential for Zr-H and Sn impurity systems and validated the DNP by using DFT results. We found that by implementing machine learning approach, it is possible to achieve accuracy comparable to DFT level for the more realistic models by using less computational time and resources.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Cognitive IoT and Edge Computing for Intrusion Detection with Federated TinyML

Internet of Things (IoT) and Edge Computing (EC) are rapidly becoming an integral part of the modern society. By 2030, there is estimated to be over 40 billion active and connected IoT devices [1]. This rapid progress also comes with a significant implication on cybersecurity. Back-end infrastructure and systems have a much broader attack than they did previously due to vulnerable IoT/EC devices being connected to wireless networks. This expanding attack surface is a growing concern because IoT/EC are increasingly being used in critical systems such as power grids, health care, and smart homes. To effectively address a problem of this scale, cognitive cyber methods—which can autonomously detect and react to cyber attacks as they develop—are needed. To address this, we bring Artificial Intelligence (AI) and Machine Learning (ML) to IoT/EC devices, using tinyML to monitor voluminous IoT data against cyber threats, and using Federated Learning (FL) to share local detection knowledge across the system while preserving privacy. We propose a novel three-layer architecture: (1) an IoT layer for tinyML-based inference, (2) an edge layer for ML model training, and (3) a cloud layer for FL operations. Using the publicly available 11-class N-BaIoT dataset [2], we demonstrate that this architecture mitigates resource constraints at the IoT layer while improving detection accuracy over standard two-layer designs. An outlier-resistant scaler, feature reduction, and quantization enable the tinyML model to maintain detection accuracy with a reduced model size. Additionally, federated learning that only utilizes the intersection (across heterogenous devices) of the reduced feature set achieves superior detection accuracy compared to locally trained models.

Li, Mingyan [ORNL] (ORCID:0009000569532640)↗
DOE OSTI2023

Deep learning integrates histopathology and proteogenomics at a pan-cancer level

We introduce a pioneering approach that integrates pathology imaging with transcriptomics and proteomics to identify predictive histology features associated with critical clinical outcomes in cancer. We utilize 2,755 H&E-stained histopathological slides from 657 patients across 6 cancer types from CPTAC. Our models effectively recapitulate distinctions readily made by human pathologists: tumor vs. normal (AUROC = 0.995) and tissue-of-origin (AUROC = 0.979). We further investigate predictive power on tasks not normally performed from H&E alone, including TP53 prediction and pathologic stage. Importantly, we describe predictive morphologies not previously utilized in a clinical setting. The incorporation of transcriptomics and proteomics identifies pathway-level signatures and cellular processes driving predictive histology features. Model generalizability and interpretability is confirmed using TCGA. We propose a classification system for these tasks, and suggest potential clinical applications for this integrated human and machine learning approach. A publicly available web-based platform implements these models.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2026

Improving Spectral Resolution from Real-time Evolution for Correlated Systems

Abstract The quality of numerically simulated spectra using real-time evolution methods for strongly correlated systems is affected by both the length of simulation time and the system size, limiting resolution in both frequency and momentum. In this work, we propose a computationally cheap, linear autoregressive machine learning-based framework to extend short-time and short-distance results over a wider range. We use the proposed method to extend the lesser Green’s function for both the Hubbard model and the much more computationally challenging Hubbard-extended Holstein model. This technique significantly improves both the frequency and momentum resolution of the single-particle removal spectrum $${\mathcal{A}}(k,\omega )$$ A ( k , ω ) , allowing the observation of otherwise obscured spectral features due to electron-phonon coupling.

Tang, Ta↗
DOE OSTI2022

Physics-Informed Neural Network Solution of Point Kinetics Equations for a Nuclear Reactor Digital Twin

A digital twin (DT) for nuclear reactor monitoring can be implemented using either a differential equations-based physics model or a data-driven machine learning model. The challenge of a physics-model-based DT consists of achieving sufficient model fidelity to represent a complex experimental system, whereas the challenge of a data-driven DT consists of extensive training requirements and a potential lack of predictive ability. We investigate the performance of a hybrid approach, which is based on physics-informed neural networks (PINNs) that encode fundamental physical laws into the loss function of the neural network. We develop a PINN model to solve the point kinetic equations (PKEs), which are time-dependent, stiff, nonlinear, ordinary differential equations that constitute a nuclear reactor reduced-order model under the approximation of ignoring spatial dependence of the neutron flux. The PINN model solution of PKEs is developed to monitor the start-up transient of Purdue University Reactor Number One (PUR-1) using experimental parameters for the reactivity feedback schedule and the neutron source. The results demonstrate strong agreement between the PINN solution and finite difference numerical solution of PKEs. We investigate PINNs performance in both data interpolation and extrapolation. For the test cases considered, the extrapolation errors are comparable to those of interpolation predictions. Extrapolation accuracy decreases with increasing time interval.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Introducing the DREAMS Project: DaRk mattEr and Astrophysics with Machine Learning and Simulations

We introduce the DaRk mattEr and Astrophysics with Machine learning and Simulations (DREAMS) project, an innovative approach to understanding the astrophysical implications of alternative dark matter (DM) models and their effects on galaxy formation and evolution. The DREAMS project will ultimately comprise thousands of cosmological hydrodynamic simulations that simultaneously vary over DM physics, astrophysics, and cosmology in modeling a range of systems—from galaxy clusters to ultra-faint satellites. Such extensive simulation suites can provide adequate training sets for machine-learning-based analyses. This paper introduces two new cosmological hydrodynamical suites of warm dark matter (WDM), each comprising 1024 simulations generated using the arepo code. One suite consists of uniform-box simulations covering a ${(25\,{h}^{-1}\,{\rm{Mpc}})}^{3}$ volume, while the other consists of Milky Way zoom-ins with sufficient resolution to capture the properties of classical satellites. For each simulation, the WDM particle mass is varied along with the initial density field and several parameters controlling the strength of baryonic feedback within the IllustrisTNG model. We provide two examples, separately utilizing emulators and convolutional neural networks, to demonstrate how such simulation suites can be used to disentangle the effects of DM and baryonic physics on galactic properties. The DREAMS project can be extended further to include different DM models, galaxy formation physics, and astrophysical targets. In this way, it will provide an unparalleled opportunity to characterize uncertainties on predictions for small-scale observables, leading to robust predictions for testing the particle physics nature of DM on these scales.

cosmological parameters↗
NASA NTRS2005

Upper Torso Control for HOAP-2 Using Neural Networks

Humanoid robots have similar physical builds and motion patterns as humans. Not only does this provide a suitable operating environment for the humanoid but it also opens up many research doors on how humans function. The overall objective is replacing humans operating in unsafe environments. A first target application is assembly of structures for future lunar-planetary bases. The initial development platform is a Fujitsu HOAP-2 humanoid robot. The goal for the project is to demonstrate the capability of a HOAP-2 to autonomously construct a cubic frame using provided tubes and joints. This task will require the robot to identify several items, pick them up, transport them to the build location, then properly assemble the structure. The ability to grasp and assemble the pieces will require improved motor control and the addition of tactile feedback sensors. In recent years, learning-based control is becoming more and more popular; for implementing this method we will be using the Adaptive Neural Fuzzy Inference System (ANFIS). When using neural networks for control, no complex models of the system must be constructed in advance-only input/output relationships are required to model the system.

Sandoval, Steven P.↗
NASA NTRS2009

Finite-difference simulation and visualization of elastodynamics in time-evolving generalized curvilinear coordinates

Modeling and simulation of free and forced structural vibrations is essential to an overall structural health monitoring capability. In the various embodiments, a first principles finite-difference approach is adopted in modeling a structural subsystem such as a mechanical gear by solving elastodynamic equations in generalized curvilinear coordinates. Such a capability to generate a dynamic structural response is widely applicable in a variety of structural health monitoring systems. This capability (1) will lead to an understanding of the dynamic behavior of a structural system and hence its improved design, (2) will generate a sufficiently large space of normal and damage solutions that can be used by machine learning algorithms to detect anomalous system behavior and achieve a system design optimization and (3) will lead to an optimal sensor placement strategy, based on the identification of local stress maxima all over the domain.

Kaul, Upender K.↗
NASA NTRS2016

An Integrated Gate Turnaround Management Concept Leveraging Big Data Analytics for NAS Performance Improvements

"Gate Turnaround" plays a key role in the National Air Space (NAS) gate-to-gate performance by receiving aircraft when they reach their destination airport, and delivering aircraft into the NAS upon departing from the gate and subsequent takeoff. The time spent at the gate in meeting the planned departure time is influenced by many factors and often with considerable uncertainties. Uncertainties such as weather, early or late arrivals, disembarking and boarding passengers, unloading/reloading cargo, aircraft logistics/maintenance services and ground handling, traffic in ramp and movement areas for taxi-in and taxi-out, and departure queue management for takeoff are likely encountered on the daily basis. The Integrated Gate Turnaround Management (IGTM) concept is leveraging relevant historical data to support optimization of the gate operations, which include arrival, at the gate, departure based on constraints (e.g., available gates at the arrival, ground crew and equipment for the gate turnaround, and over capacity demand upon departure), and collaborative decision-making. The IGTM concept provides effective information services and decision tools to the stakeholders, such as airline dispatchers, gate agents, airport operators, ramp controllers, and air traffic control (ATC) traffic managers and ground controllers to mitigate uncertainties arising from both nominal and off-nominal airport gate operations. IGTM will provide NAS stakeholders customized decision making tools through a User Interface (UI) by leveraging historical data (Big Data), net-enabled Air Traffic Management (ATM) live data, and analytics according to dependencies among NAS parameters for the stakeholders to manage and optimize the NAS performance in the gate turnaround domain. The application will give stakeholders predictable results based on the past and current NAS performance according to selected decision trees through the UI. The predictable results are generated based on analysis of the unique airport attributes (e.g., runway, taxiway, terminal, and gate configurations and tenants), and combined statistics from past data and live data based on a specific set of ATM concept-of-operations (ConOps) and operational parameters via systems analysis using an analytic network learning model. The IGTM tool will then bound the uncertainties that arise from nominal and off-nominal operational conditions with direct assessment of the gate turnaround status and the impact of a certain operational decision on the NAS performance, and provide a set of recommended actions to optimize the NAS performance by allowing stakeholders to take mitigation actions to reduce uncertainty and time deviation of planned operational events. An IGTM prototype was developed at NASA Ames Simulation Laboratories (SimLabs) to demonstrate the benefits and applicability of the concept. A data network, using the System Wide Information Management (SWIM)-like messaging application using the ActiveMQ message service, was connected to the simulated data warehouse, scheduled flight plans, a fast-time airport simulator, and a graphic UI. A fast-time simulation was integrated with the data warehouse or Big Data/Analytics (BAI), scheduled flight plans from Aeronautical Operational Control AOC, IGTM Controller, and a UI via a SWIM-like data messaging network using the ActiveMQ message service, illustrated in Figure 1, to demonstrate selected use-cases showing the benefits of the IGTM concept on the NAS performance.

Efficent ATM systems↗
NASA NTRS2019

Health Management and Prognostics for Electric Aircraft Powertrain

W and c Any air borne vehicle needs incorporating safety as key parameter of measure, and inclusion of autonomy raises the critical need for safety under autonomous operations. Management of faults and component degradation is key as complexity in autonomous operations grow over the period of time. Therefore, in addition to basic operational requirements, an autonomous electric vehicle should be able to make accurate estimates of its current system health and take the correct decisions to complete its mission successfully. Real-time safety and state-awareness tools are therefore essential for the vehicle to be able to reach its destination in a safe and successful manner. The need for safety assurance and health management capabilities is particularly relevant for aircraft electric propulsion systems, which are relatively new and with limited historical to learn. They are critical systems requiring high power density along with reliability, resilience, efficient management of weight, and operational costs. A model- based fault diagnosis and prognostics approach of complex critical systems can successfully accomplish the safety and state awareness goal for such electric propulsion systems, enabling autonomous decision making capability for safe and efficient operation. To identify critical components in the system a Qualitative Bayesian approach using FMECA is implemented. This requires the assessment of some quantities representing the state of the electric unmanned aerial systems (e-UAS), as well as look-ahead forecasts of such states during the entire flight, presented in form of safety metrics (SM). In-service data and performance data gathered from degraded components sup- ports diagnostic and prognostic methods for these systems, but this data can be difficult to obtain as weight and packaging restrictions reduce redundancy and instrumentation on-board the vehicle. Therefore, an model-based framework should be capable or operating with limited data. In addition to data scarcity, the variability of such complex critical systems re- quires the model-based framework to reason in the presence of uncertainty, such as sensor noise, and modeling imperfections. Quantification of errors and uncertainties in the measured states and quantities is therefore a fundamental step for a precise estimation of such SMs; un-modeled uncertainty may result in erroneous state assessment and un- reliable predictions of future states of e-UAVs. Typical, centralized model-based schemes suffer from inherent disadvantages such as computational complexity, single point of failure, and scalability issues, and therefore may fail in such a complex scenario. This paper presents a methodology for developing a system level diagnostics and prognostics approach using a Qualitative Bayesian FMECA approach along with a formal uncertainty management framework for an e-UAS. In this work we demonstrate the efficacy of the framework to predict effects of sub-system level degradation on vehicle operation incorporating uncertainty management to predict future behavior under different operating conditions.

Kulkarni, Chetan↗