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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 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
NASA NTRS1985

Monitoring real-time navigation processes using the automated reasoning tool (ART)

An expert system is described for monitoring and controlling navigation processes in real-time. The ART-based system features data-driven computation, accommodation of synchronous and asynchronous data, temporal modeling for individual time intervals and chains of time intervals, and hypothetical reasoning capabilities that consider alternative interpretations of the state of navigation processes. The concept is illustrated in terms of the NAVEX system for monitoring and controlling the high speed ground navigation console for Mission Control at Johnson Space Center. The reasoning processes are outlined, including techniques used to consider alternative data interpretations. Installation of the system has permitted using a single operator, instead of three, to monitor the ascent and entry phases of a Shuttle mission.

Maletz, M. C.↗
NASA NTRS2014

Using Historical Data to Automatically Identify Air-Traffic Control Behavior

This project seeks to develop statistical-based machine learning models to characterize the types of errors present when using current systems to predict future aircraft states. These models will be data-driven - based on large quantities of historical data. Once these models are developed, they will be used to infer situations in the historical data where an air-traffic controller intervened on an aircraft's route, even when there is no direct recording of this action.

trajectory generation↗
NASA NTRS2014

Data-Intensive Science meets Inquiry-Driven Pedagogy: Interactive Big Data Exploration, Threshold Concepts, and Liminality

Threshold concepts in any discipline are the core concepts an individual must understand in order to master a discipline. By their very nature, these concepts are troublesome, irreversible, integrative, bounded, discursive, and reconstitutive. Although grasping threshold concepts can be extremely challenging for each learner as s/he moves through stages of cognitive development relative to a given discipline, the learner's grasp of these concepts determines the extent to which s/he is prepared to work competently and creatively within the field itself. The movement of individuals from a state of ignorance of these core concepts to one of mastery occurs not along a linear path but in iterative cycles of knowledge creation and adjustment in liminal spaces - conceptual spaces through which learners move from the vaguest awareness of concepts to mastery, accompanied by understanding of their relevance, connectivity, and usefulness relative to questions and constructs in a given discipline. For example, challenges in the teaching and learning of atmospheric science can be traced to threshold concepts in fluid dynamics. In particular, Dynamic Meteorology is one of the most challenging courses for graduate students and undergraduates majoring in Atmospheric Science. Dynamic Meteorology introduces threshold concepts - those that prove troublesome for the majority of students but that are essential, associated with fundamental relationships between forces and motion in the atmosphere and requiring the application of basic classical statics, dynamics, and thermodynamic principles to the three dimensionally varying atmospheric structure. With the explosive growth of data available in atmospheric science, driven largely by satellite Earth observations and high-resolution numerical simulations, paradigms such as that of dataintensive science have emerged. These paradigm shifts are based on the growing realization that current infrastructure, tools and processes will not allow us to analyze and fully utilize the complex and voluminous data that is being gathered. In this emerging paradigm, the scientific discovery process is driven by knowledge extracted from large volumes of data. In this presentation, we contend that this paradigm naturally lends to inquiry-driven pedagogy where knowledge is discovered through inductive engagement with large volumes of data rather than reached through traditional, deductive, hypothesis-driven analyses. In particular, data-intensive techniques married with an inductive methodology allow for exploration on a scale that is not possible in the traditional classroom with its typical problem sets and static, limited data samples. In addition, we identify existing gaps and possible solutions for addressing the infrastructure and tools as well as a pedagogical framework through which to implement this inductive approach.

Ramachandran, Rahul↗
DOE OSTI2026

Neural entropy-stable conservative flux form neural networks for learning hyperbolic conservation laws

We propose a neural entropy-stable conservative flux form neural network (NESCFN) for learning hyperbolic conservation laws and their associated entropy functions directly from solution trajectories, without requiring any predefined numerical discretization. While recent neural network architectures have successfully integrated classical numerical principles into learned models, most rely on prior knowledge of the governing equations or assume a fixed discretization. Our approach removes this dependency by embedding entropy-stable design principles into the learning process itself, enabling the discovery of physically consistent dynamics in a fully data-driven setting. By jointly learning both the flux function and a corresponding entropy, NESCFN promotes conservation and entropy dissipation, which is critical for long-term stability and fidelity in the system of hyperbolic conservation laws. Furthermore, numerical results demonstrate that the method achieves stability and conservation over extended time horizons and accurately captures shock propagation speeds, even without oracle access to future-time solution profiles in the training data.

Conservative flux form↗
DOE OSTI2024

Developing multi-gene CRISPRa/i programs to accelerate DBTL cycles in ABF hosts engineered for chemical production

This project developed and implemented a modular CRISPR activation and interference (CRISPRa/i) platform to accelerate strain optimization and pathway development for industrially relevant microbial hosts. By integrating multiplexed transcriptional perturbation tools with data-driven Design–Build–Test–Learn (DBTL) workflows, the team achieved reductions in cycle time and enhanced production of industrial aromatics, particularly 4-aminocinnamic acid (4-ACA), in Pseudomonas putida. Key accomplishments included: ● Development of a robust, tunable CRISPRa/i system in P. putida that enabled efficient multi-target gene regulation via guide RNA (gRNA) programs ● Completion of two full DBTL cycles, guided by machine learning (ML) models trained on transcriptomic and performance data, reducing engineering time by over 30% ● Optimization of multi-gene regulatory programs to balance expression of host and pathway modules, improve 4-ACA titers, and resolve metabolic bottlenecks ● Demonstration of system portability through a limited proof-of-concept extension in Acinetobacter baylyi, underscoring the generalizability of the approach ● Evaluation of strain performance on lignocellulosic biomass-derived substrates, demonstrating the feasibility of converting renewable carbon into aromatic building blocks These results illustrate the feasibility of applying ML-guided CRISPRa/i perturbation strategies to accelerate strain development in complex microbial systems. The resulting tools and datasets contribute to DOE objectives by improving platform predictability, reducing development costs, and enabling broader access to sustainable, economically viable bioproduction technologies.

09 BIOMASS FUELS↗
DOE OSTI2024

Machine learning-guided design of direct methanol fuel cells with a platinum group metal-free cathode

Direct methanol fuel cells (DMFCs) offer a promising solution for clean electricity generation, particularly in small electronics and remote auxiliary power units. However, optimizing their efficiency and performance is challenging due to the complex interactions between various factors. Here, we present a novel approach that integrates experiments with machine learning to model and predict the performance of these fuel cells using atomically dispersed platinum group metal (PGM)-free catalysts at the cathode. Further, our machine learning models, trained on diverse input parameters, allow for the comprehensive optimization of DMFC performance prior to fabrication and testing. Through extensive experimental validation, we demonstrate that this data-driven approach accurately predicts key performance metrics, such as maximum power output and polarization curves. By combining our models with interpretable game-theory methods, we provide deep insights into the factors governing fuel cell performance, ultimately paving the way for the design of scalable and efficient DMFC technologies.

25 ENERGY STORAGE↗
NASA NTRS2020

Predicting Gate Conflicts at Charlotte Douglas International Airport Using NASA ATD-2 Fused Data Sources

NASA is conducting the Airspace Technology Demonstration-2 to evaluate an Integrated Arrival, Departure, and Surface (IADS) traffic management system. The IADS system is powered by real-time System Wide Information Management feeds which provide an accurate and high fidelity view of the lifecycle of a flight. This data can be leveraged to drive efficiencies in the National Airspace System. For non safety critical applications there is opportunity for third party service providers to offer this type of data-driven prediction service in near real-time. This paper investigates the gate conflict prediction problem as a concrete use case which could help drive efficiencies. We model gate conflicts as a regression problem and describe the iterative process of model building, model validation, and evaluation used to assess the efficacy of our approach. We quantify our predictive accuracy and identify paths for improvement. Through this iterative process we hope to evolve our models and methods to a near real-time prediction service.

Airspace Technology Demonstration 2↗
NASA NTRSDate not supplied

Stochastic Verification by Analysis for Autonomous Systems Management Architecture (ASMA)

The Gateway Vehicle Systems Manager (VSM) is the top-level of a distributed, hierarchical software control system. VSM is data-driven and will make decisions related to mission, fault, resource management and vehicle control. These attributes combined with a high degree of autonomy make it susceptible to emergent behavior. In order to achieve the high level of confidence needed in this critical system, the VSM team has developed a multifaceted verification strategy employing traditional verification techniques, simulation, model checking, and runtime verification. Individual algorithms are verified using conventional testing and model checking using assume-guarantee contracts. A discrete event-based simulation approach is being developed to verify timelines. This presentation describes an enhancement to the verification approach using analysis to enhance system robustness by detecting and resolving the potential for emergent behavior. The verification by analysis employs a Software in the Loop (SITL) environment with real flight software executing on emulated processors, simulations of vehicle subsystems, flight dynamics, and human inputs. Since the possible input space and configuration data set are too large for exhaustive testing, a Monte Carlo approach is used to cover feasible scenarios, augmented with corner cases and known higher-risk scenarios. A key problem in using Monte Carlo-based system verification is evaluating test results to ensure that system behavior is correct. The presentation describes the approach the VSM team uses to monitor behavior for compliance with predetermined boundaries and to identify anomalous behavior for further analysis. This presentation describes the multi-level systems approach to verification, and the simulation-based layer that covers the feasible state space: 1. Overview of the Gateway VSM 2. Special challenges due to heterogeneous, hierarchical architecture 3. Modeling and simulation environment using flight software and system simulations 4. Developing input sets to ensure state-space coverage 5. Developing model and data configuration sets to ensure model coverage 6. Interpreting results without predetermined outcomes 7. Lessons learned and future work

Verification and Validation↗
DOE OSTI2024

Analyzing School Bus Electrification in Richmond, Virginia

School buses are an essential component of the transportation infrastructure, serving as a lifeline for students across the globe. However, the widespread use of diesel school buses has raised concerns about the health impact on millions of students exposed to harmful emissions daily. Recognizing this issue, school districts worldwide are urgently seeking cleaner energy alternatives. Electric school buses emerge as an environmentally friendly and sustainable option, fostering a healthier environment for both students and communities. However, school bus electrification faces the challenges of high upfront cost, cumbersome charging management, and constraints from power grids. To help school bus operators address those challenges, this study presents a data-driven analysis for school bus electrification. This study considered a real-world school bus system in Richmond, VA, and developed a mathematical programming model to analyze the system design, charging strategies, and charging load profiles for the electrification scenario. The study evaluated different charging strategies based on model outcomes, aiming to optimize efficiency and effectiveness. Ultimately, this research generated electric school bus charging demand profiles under various scenarios, shedding light on the feasibility and implications of transitioning to electric-powered school buses.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2024

Extreme sparsification of physics-augmented neural networks for interpretable model discovery in mechanics

Data-driven constitutive modeling with neural networks has received increased interest in recent years due to its ability to easily incorporate physical and mechanistic constraints and to overcome the challenging and time-consuming task of formulating phenomenological constitutive laws that can accurately capture the observed material response. However, even though neural network-based constitutive laws have been shown to generalize proficiently, the generated representations are not easily interpretable due to their high number of trainable parameters. Sparse regression approaches exist that allow for obtaining interpretable expressions, but the user is tasked with creating a library of model forms which by construction limits their expressiveness to the functional forms provided in the libraries. Here, in this work, we propose to train regularized physics-augmented neural network-based constitutive models utilizing a smoothed version of $L^0$-regularization. This aims to maintain the trustworthiness inherited by the physical constraints, but also enables interpretability which has not been possible thus far on any type of machine learning-based constitutive model where model forms were not assumed a priori but were actually discovered. During the training process, the network simultaneously fits the training data and penalizes the number of active parameters, while also ensuring constitutive constraints such as thermodynamic consistency. We show that the method can reliably obtain interpretable and trustworthy constitutive models for compressible and incompressible hyperelasticity, yield functions, and hardening models for elastoplasticity, using synthetic and experimental data. This work aims to set a new paradigm for interpretable machine learning models in the broad area of solid mechanics where low and limited data is available along with prior knowledge of physical constraints that the learned maps need to obey. This paradigm can potentially be extended to a broader spectrum of scientific exploration.

Data-driven constitutive models↗
DOE OSTI2025

Accelerating the discovery of low-energy structure configurations: A computational approach that integrates first-principles calculations, Monte Carlo sampling, and Machine Learning

Finding Minimum Energy Configurations (MECs) is essential in fields such as physics, chemistry, and materials science, as they represent the most stable states of the systems. In particular, identifying such MECs in multi-component alloys considered candidate PFMs is key because it determines the most stable arrangement of atoms within the alloy, directly influencing its phase stability, structural integrity, and thermo-mechanical properties. However, since the search space grows exponentially with the number of atoms considered, obtaining such MECs using computationally expensive first-principles DFT calculations often results in a cumbersome task. To escape the above compromise between physical fidelity and computational efficiency, we have developed a novel physics-based data-driven approach that combines Monte Carlo sampling, first-principles DFT calculations, and Machine Learning to accelerate the discovery of MECs in multi-component alloys. More specifically, we have leveraged well-established Cluster Expansion (CE) techniques with Local Outlier Factor models to establish strategies that enhance the reliability of the CE method. In this work, we demonstrated the capabilities of the proposed approach for the particular case of a tungsten-based quaternary high-entropy alloy. However, the method is applicable to other types of alloys and enables a wide range of applications.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Leveraging Optimal Sparse Sensor Placement to Aggregate a Network of Digital Twins for Nuclear Subsystems

Nuclear power plants (NPPs) require continuous monitoring of various systems, structures, and components to ensure safe and efficient operations. The critical safety testing of new fuel compositions and the analysis of the effects of power transients on core temperatures can be achieved through modeling and simulations. They capture the dynamics of the physical phenomenon associated with failure modes and facilitate the creation of digital twins (DTs). Accurate reconstruction of fields of interest (e.g., temperature, pressure, velocity) from sensor measurements is crucial to establish a two-way communication between physical experiments and models. Sensor placement is highly constrained in most nuclear subsystems due to challenging operating conditions and inherent spatial limitations. This study develops optimized data-driven sensor placements for full-field reconstruction within reactor and steam generator subsystems of NPPs. Optimized constrained sensors reconstruct field of interest within a tri-structural isotropic (TRISO) fuel irradiation experiment, a lumped parameter model of a nuclear fuel test rod and a steam generator. The optimization procedure leverages reduced-order models of flow physics to provide a highly accurate full-field reconstruction of responses of interest, noise-induced uncertainty quantification and physically feasible sensor locations. Accurate sensor-based reconstructions establish a foundation for the digital twinning of subsystems, culminating in a comprehensive DT aggregate of an NPP.

42 ENGINEERING↗
DOE OSTI2025

Non-intrusive reduced-order modeling for dynamical systems with spatially localized features

This work presents a non-intrusive reduced-order modeling framework for dynamical systems with spatially localized features characterized by slow singular value decay. The proposed approach builds upon two existing methodologies for reduced and full-order non-intrusive modeling, namely Operator Inference (OpInf) and sparse Full-Order Model (sFOM) inference. We decompose the domain into two complementary subdomains that exhibit fast and slow singular value decay. The dynamics of the subdomain exhibiting slow singular value decay are learned with sFOM while the dynamics with intrinsically low dimensionality on the complementary subdomain are learned with OpInf. The resulting, coupled OpInf-sFOM formulation leverages the computational efficiency of OpInf and the high resolution of sFOM, and thus enables fast non-intrusive predictions for conditions beyond those sampled in the training data set. A novel regularization technique with a closed-form solution based on the Gershgorin disk theorem is introduced to promote stable sFOM and OpInf models. We also provide a data-driven indicator for subdomain selection and ensure solution smoothness over the interface via a post-processing interpolation step. We evaluate the efficiency of the approach in terms of offline and online speedup through a quantitative, parametric computational cost analysis. We demonstrate the coupled OpInf-sFOM formulation for two test cases: a one-dimensional Burgers’ model for which accurate predictions beyond the span of the training snapshots are presented, and a two-dimensional parametric model for the Pine Island Glacier ice thickness dynamics, for which the OpInf-sFOM model achieves an average prediction error on the order of 1% with an online speedup factor of approximately 8$\times$ compared to the numerical simulation.

42 ENGINEERING↗
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 OSTI2026

Interpretable and flexible non-intrusive reduced-order models using reproducing kernel Hilbert spaces

This paper develops an interpretable, non-intrusive reduced-order modeling technique using regularized kernel interpolation. Existing non-intrusive approaches approximate the dynamics of a reduced-order model (ROM) by solving a data-driven least-squares regression problem for low-dimensional matrix operators. Our approach instead leverages regularized kernel interpolation, which yields an optimal approximation of the ROM dynamics from a user-defined reproducing kernel Hilbert space. We show that our kernel-based approach can produce interpretable ROMs whose structure mirrors full-order model structure by embedding judiciously chosen feature maps into the kernel. The approach is flexible and allows a combination of informed structure through feature maps and closure terms via more general nonlinear terms in the kernel. We also derive a computable a posteriori error bound that combines standard error estimates for intrusive projection-based ROMs and kernel interpolants. In conclusion, the approach is demonstrated in several numerical experiments that include comparisons to operator inference using both proper orthogonal decomposition and quadratic manifold dimension reduction.

Data-driven model reduction↗
DOE OSTI2025

Search for single-production of vector-like quarks decaying into Wb in the fully hadronic final state in pp collisions at $\sqrt{s}$ = 13 TeV with the ATLAS detector

A search for T and Y vector-like quarks produced in proton-proton collisions at a centre-of-mass energy of 13 TeV and decaying into Wb in the fully hadronic final state is presented. The search uses 139 fb −1 of data collected by the ATLAS detector at the LHC from 2015 to 2018. The final state is characterised by a hadronically decaying W boson with large Lorentz boost and a b-tagged jet, which are used to reconstruct the invariant mass of the vector-like quark candidate. The main background is QCD multijet production, which is estimated using a data-driven method. Upon finding no significant excess in data, mass limits at 95% confidence level are obtained as a function of the global coupling parameter, κ. The observed lower limits on the masses of Y quarks with κ = 0.5 and κ = 0.7 are 2.0 TeV and 2.4 TeV, respectively. For T quarks, the observed mass limits are 1.4 TeV for κ = 0.5 and 1.9 TeV for κ = 0.7.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

ESnet Data and AI Workshop Report

In February 2025, the DOE user facility Energy Sciences Network (ESnet) held a three-day Data and AI Workshop in Berkeley, California. The objective of the workshop was to identify challenges within ESnet that could be addressed through data-driven methods, to help define ESnet’s data-analysis requirements, and to shape its AI strategy, guiding data-stewardship efforts and the direction of AI research and AIOps exploration for ESnet7, the next iteration of ESnet’s network. This report summarizes the multi-faceted discussions and findings and presents a set of recommendations for next steps.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Addressing Rising Energy Demand Through Innovation

The U.S. is facing a significant increase in energy demand, driven by AI advancements, the rapid expansion of data centers, manufacturing and industrial growth, and the electrification of transportation and buildings. Buildings alone account for approximately 75% of U.S. electricity consumption and 40% of total energy use. To address these challenges, NLR leverages its state-of-the-art research facilities, advanced energy modeling, hardware-in-the-loop emulation, and real-world demonstrations to provide data-driven insights that de-risk emerging energy solutions, increase efficiency and demand flexibility, optimize grid controls, and identify vulnerabilities to enhance energy security. This presentation will highlight our research ecosystem and its role in supporting a more reliable, affordable, and adaptive energy infrastructure in the face of accelerating demand.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗