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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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Fault isolation and sensor placement are vital for monitoring and diagnosis. A sensor conveys information about a system's state that guides troubleshooting if problems arise. We are using machine learning methods to uncover behavioral patterns over snapshots of system simulations that will aid fault isolation and sensor placement, with an eye towards minimality, fault coverage, and noise tolerance.
Allostery is the phenomenon whereby a binding event or covalent modification at one site in a protein modulates function at a distal site, thus changing a protein’s functional state. As such, it is a ubiquitous aspect of protein functional regulation. Computationally predicting allosteric states is important as part of the broader challenge of functional annotation, but it also has practical implications for drug development, as targeting an allosteric site often affords greater specificity compared with targeting an orthosteric site. This study introduces a machine learning approach to predict the allosteric functional state using the small G-protein KRas as the model system, due to its implication in many types of cancer and being well studied as a result with many x-ray crystallographic structures of KRas available with different mutations and ligands bound. Using structural and dynamical features that can be cast as images, namely interatomic distances, contact maps, covariance, and mutual information, supervised learning was performed using convolutional neural networks. Two pretrained convolutional neural network architectures, GoogLeNet and ResNet18, were fine-tuned to classify KRas into active or inactive states based on these features. Across training regimes, atomic contact maps emerged as the most effective structural feature, whereas linearized mutual information outperformed covariance in capturing dynamical correlations relevant to allostery. Models achieved significant validation accuracy, with atomic contact maps yielding up to 90% accuracy. In conclusion, the findings suggest that integrating global structural rearrangements and correlated motion patterns with deep learning can reliably predict protein allosteric states, offering a promising framework for understanding allosteric regulation and developing targeted therapeutics.
With increasing penetration of solar and wind energy to the total energy supply mix, the pressing need for accurate energy forecasting has become well-recognized. Here we report the development of a machine-learning based model blending approach for statistically combining multiple meteorological models for improving the accuracy of solar/wind power forecast. Importantly, we demonstrate that in addition to parameters to be predicted (such as solar irradiance and power), including additional atmospheric state parameters which collectively define weather situations as machine learning input provides further enhanced accuracy for the blended result. Functional analysis of variance shows that the error of individual model has substantial dependence on the weather situation. The machine-learning approach effectively reduces such situation dependent error thus produces more accurate results compared to conventional multi-model ensemble approaches based on simplistic equally or unequally weighted model averaging. Validation over an extended period of time results show over 30% improvement in solar irradiance/power forecast accuracy compared to forecasts based on the best individual model.
Fatigue driving has been regarded as one of the most important factors that cause traffic accidents. This paper proposes a robust human-machine shared control strategy to improve the vehicle performance for different driver fatigue states. Firstly, the time-varying driver steering model is proposed to address the model mismatch caused by fatigue driving. And the driver fatigue evaluation system is established based on facial features to quantify driver fatigue levels. Based on the quantified fatigue levels, a novel strategy for allocating authorities of the driver and controller is developed for building the driver-vehicle interaction system. Then, to weaken the influence of parameter perturbations caused by the time-varying driver states, we design a fatigue-based shared controller through state feedback. The actuator saturation and system constraints are considered in the controller design through the robust set-invariance property to improve vehicle safety and driving comfort. The driver-in-the-loop platform is conducted to validate the effectiveness of the proposed shared steering controller. In conclusion, the experimental results show that the proposed strategy can adaptively optimize the human-machine authorities according to fatigue states and comprehensively improve vehicle performance.
Abstract Midwestern cities require forecasts of surface nitrate loads to bring additional treatment processes online or activate alternative water supplies. Concurrently, networks of nitrate monitoring stations are being deployed in river basins, co‐locating water quality observations with established stream gauges. However, tools to evaluate the future value of expanded networks to improve water quality forecasts remains challenging. Here, we construct a synthetic data set of stream discharge and nitrate for the Wabash River Basin—one of the United States’ most nutrient polluted basins—using the established Agro‐IBIS and THMB models. Synthetic data enables rapid, unbiased and low‐cost assessment of potential sensor placements to support management objectives, such as near‐term forecasting. Using the synthetic data, we established baseline 1‐day forecasts for surface water nitrate at 12 cities in the basin using support vector machine regression (SVMR; RMSE 0.48–3.3 ppm). Next, we used the SVMRs to evaluate the improvement in forecast performance associated with deployment of additional nitrate sensors. We identified the optimal sensor placement to improve forecasts at each city, and the relative value of sensors at each candidate location. Finally, we assessed the co‐benefit realized by other cities when a sensor is deployed to optimize a forecast at one city, finding significant positive externalities in all cases. Ultimately, our study explores the potential for machine learning to make near‐term predictions and critically evaluate the improvement realized by expanding a monitoring network. While we use nitrate pollution in the Wabash River Basin as a case study, this approach could be readily applied to any problem where the future value of sensors and network design are being evaluated.
As a part of the Open Energy Data Initiative, this effort aims to develop and demonstrate novel distribution state estimation, control optimization, and transient analysis as well as provide access to data, data integration, and mapping information. More specifically, the focus of the effort will be on physics-based distribution system state estimation, hybrid (physics-based and machine learning) distribution optimal power flow, and event detection/analysis for solar integration and analytics. This work will enable reproducible, robust, replicable, and generalizable R&D in simulation and emulation of solar system integration. These test models and datasets will provide an integrated library for developing and testing power system operation technologies. To make the library user-friendly, this project will provide data curation tools such as data translators, mapping scripts and APIs, database schemas and metadata, interfaces and user dashboard, source code for the reference algorithms, description of the use-cases/scenarios, and comprehensive information on all the assumptions.
Accurate information about dynamic states (such as rotor angle and speed of a synchronous machine) is important for monitoring and controlling power system rotor-angle stability. In this paper, a multi-model adaptive Kalman filtering (MMAKF) approach is proposed to accurately and robustly estimate power system dynamic states. This approach consists of three major steps: (i) multiple Kalman filtering approaches, i.e., the extended Kalman filter (EKF), unscented Kalman filter (UKF), ensemble Kalman filter (EnKF), and cubature Kalman filter (CKF), are run concurrently in parallel to estimate the dynamic states of a synchronous generator using phasor measurement unit data; (ii) probability indexes, which quantify the likelihood of each estimation model, are determined at each time step using hypothesis testing based on the measurement innovation; (iii) the a posteriori estimate of states is obtained using the best-fix approach. The two-area four-machine system is used to evaluate the effectiveness of the proposed MMAKF approach. It is shown through the Monte-Carlo method that the estimation accuracy and robustness of the proposed approach is better than those from any individual filtering algorithm.
As Fusion Pilot Plants (FPPs) are increasingly viewed as within reach, many engineering challenges remain. Not many diagnostics are expected to be available in a reactor environment. Survivability, maintainability, and limited port space substantially restrict the number of FPP-relevant diagnostics. One remaining challenge is developing tools and devices to extract plasma state information necessary for controlling an FPP from a limited subset of diagnostics. This work is part of an overarching project to address this challenge. The specific diagnostic subset to be used in FPPs is still under debate. We take the approach of developing machine-learning-based tools for different significant plasma state parameters, using already known FPP-viable diagnostics. Previously we developed a plasma confinement mode classifier utilizing the Electron Cyclotron Emission (ECE) diagnostic. Here, we expand on this by developing a Profile Reflectometer (PR) based classifier with 97% test accuracy, and an ensemble model that combines the ECE and PR models into a single model, achieving 99% test accuracy.
Battery health diagnosis often requires time-consuming measurements in laboratory conditions, but these types of measurements are unsuitable for use in real-world application such as electric vehicles. Instead, rapid measurements that can be conducted at varying environmental conditions need to be used to monitor battery health. Machine-learning techniques can then be utilized to connect these rapid measurements to health diagnostic information recorded in the lab. This presentation is a part of a tutorial on using machine-learning methods to analyze and predict battery state.
This research explores novel methods for extracting relevant information from EEG data to characterize individual differences in cognitive processing. Our approach combines expertise in machine learning, statistics, and cognitive science, advancing the state-of-the art in all three domains. Specifically, by using cognitive science expertise to interpret results and inform algorithm development, we have developed a generalizable and interpretable machine learning method that can accurately predict individual differences in cognition. The output of the machine learning method revealed surprising features of the EEG data that, when interpreted by the cognitive science experts, provided novel insights to the underlying cognitive task. Additionally, the outputs of the statistical methods show promise as a principled approach to quickly find regions within the EEG data where individual differences lie, thereby supporting cognitive science analysis and informing machine learning models. This work lays methodological ground work for applying the large body of cognitive science literature on individual differences to high consequence mission applications.
The primary goal of this project is to leverage data-driven methods and machine learning strategies to develop accurate multi-physics models for all-solid-state Li-S battery (ASLSB) materials that can capture electrochemical and transport phenomena over atomic to mesoscopic length/timescales. These models will be rigorously validated by synthesis and advanced characterization experiments. The team will leverage the predictive power of these models, alongside synthesis/characterization experiments and battery fabrication to address longstanding issues at the electrode/electrolyte interfaces in ASLSBs. The project’s proposed technology involves the following: (1) halide-doped solid sulfide electrolytes that can concurrently provide high Li + ion conductivity and suppress dendrite growth; (2) novel mesoporous cathode composed of super-P and carbon nanotubes co-infiltrated with sulfur and sulfide electrolyte, which hold potential to allow high sulfur loading and optimal ion/electron pathways; and (3) functionalization of sulfide electrolyte with ionic liquids to improve physical contact and minimize impedance at the cathode/electrolyte interface. Successful development of proposed predictive models (at multiple scales) will bridge this knowledge gap and will advance fundamental understanding of reaction chemistry, kinetics, charge transfer, and dendrite growth at electrified SSIs. This will enable predictive design of effective strategies to mitigate interfacial problems in ASSLSBs, including poor interfacial contact, interfacial impedance to Li + ion transport, and poor electron/ion conduction within cathodes. Ultimately, the fundamental knowledge gained will lead to development of high-performance ASSLSBs.
This report summarizes the Environmentally Assisted Fatigue (EAF) research conducted at ANL under the US DOE Light Water Reactor Sustainability (LWRS) program. Starting from a rich background in theoretical and experimental EAF, ANL previously developed an approach to evaluate fatigue performance of reactor materials in light water reactor environments with the correction factor F en . The approach was based on a large body of experimental work performed at ANL and elsewhere, and was consistent with American Society of Mechanical Engineers (ASME)’s methodology governing the design and construction of reactor components. In recent years, the program was focused on component fatigue prediction and made several major and fundamental contributions in this area. These accomplishments help meet the needs identified by the industry concerning component level fatigue predictions in complex, transient conditions. The main contribution of the ANL program involved the development of a system-level model for estimating residual strain and life of nuclear reactor coolant system components under connected-system-thermal-mechanical boundary conditions. The goal was to predict the stress hotspots, strain residuals, strain amplitudes and the resulting fatigue lives. Thermal-mechanical stress analysis was performed considering thermal stratification and a design-basis reactor loading cycle. Based on the finite element (FE) model results, the strain residuals, strain amplitudes and resulting fatigue lives of reactor coolant system (RCS) components were predicted. The results show that some of the RCS components can have significantly different strain amplitudes, residual strain, and fatigue lives, despite having similar geometry and material. In addition, the simulated component-level strain profile can guide the selection of appropriate test inputs for conducting laboratory-scale EAF tests. Building upon the system-level model, ANL developed a digital twin (DT) framework to predict the structural states and associated fatigue life of components in real-time. This framework is a comprehensive system designed to predict the structural states and fatigue lives of reactor components. It includes multiple models and integrates artificial intelligence (AI), machine learning (ML), and FE based modeling tools to evaluate the structural states and fatigue lives.
ABSTRACT This paper presents high-order Runge–Kutta (RK) discontinuous Galerkin methods for the Euler–Poisson equations in spherical symmetry. The scheme can preserve a general polytropic equilibrium state and achieve total energy conservation up to machine precision with carefully designed spatial and temporal discretizations. To achieve the well-balanced property, the numerical solutions are decomposed into equilibrium and fluctuation components that are treated differently in the source term approximation. One non-trivial challenge encountered in the procedure is the complexity of the equilibrium state, which is governed by the Lane–Emden equation. For total energy conservation, we present second- and third-order RK time discretization, where different source term approximations are introduced in each stage of the RK method to ensure the conservation of total energy. A carefully designed slope limiter for spherical symmetry is also introduced to eliminate oscillations near discontinuities while maintaining the well-balanced and total-energy-conserving properties. Extensive numerical examples – including a toy model of stellar core collapse with a phenomenological equation of state that results in core bounce and shock formation – are provided to demonstrate the desired properties of the proposed methods, including the well-balanced property, high-order accuracy, shock-capturing capability, and total energy conservation.
High-flux neutron beams and high-efficiency detectors enable rapid neutron diffraction measurements at the Engineering Materials Diffractometer (VULCAN) at the Spallation Neutron Source (SNS), Oak Ridge National Laboratory (ORNL). To optimize beam time utilization, efficient sample exchange, alignment, and automated measurements are essential. Recent advances in artificial intelligence (AI) have expanded the capabilities of robotic systems. Here, we report the development of a Robotic Interactive Control and Handling (RICH) system for sample handling at VULCAN, designed to support high-throughput experiments and reduce overhead time. The RICH system employs a six-axis desktop robot integrated with AI-based computer vision models capable of recognizing and localizing samples in real time from instrument and depth-resolving cameras. Vision algorithms combine these detections to align samples with designated measurement positions or place them within complex sample environments such as furnaces. This integration of machine learning-assisted vision with robotic handling demonstrates the feasibility of autonomous sample detection and preparation, offering a pathway toward fully unmanned neutron scattering experiments.
The Oak Ridge National Laboratory (ORNL) was tasked by the United States National Nuclear Security Administration’s Second Line of Defense (SLD) program with reducing the false alarm rate experienced by radiation portal monitors (RPM) installed near x-ray machines. Although the mechanism for interference between RPMs and x-ray machines is well understood, x-ray machines are often installed too near RPMs due to a variety of facility constraints. The result is underutilized RPMs that are plagued by a high false alarm rate from x-rays that escape the x-ray machine and are detected by the RPM. In this work, the effectiveness of an x-ray machine collimation system designed at ORNL is validated through the analysis of field data collected before and after the installation. The significant reduction in false alarm rate due to the collimation system is explicitly shown, and examples of field installations are provided. Utilization of the results presented here allows RPM systems to operate effectively even when installed near x-ray machines.
Abstract Rare-earth substituted inorganic phosphors are critical for solid state lighting. New phosphors are traditionally identified through chemical intuition or trial and error synthesis, inhibiting the discovery of potential high-performance materials. Here, we merge a support vector machine regression model to predict a phosphor host crystal structure’s Debye temperature, which is a proxy for photoluminescent quantum yield, with high-throughput density functional theory calculations to evaluate the band gap. This platform allows the identification of phosphors that may have otherwise been overlooked. Among the compounds with the highest Debye temperature and largest band gap, NaBaB 9 O 15 shows outstanding potential. Following its synthesis and structural characterization, the structural rigidity is confirmed to stem from a unique corner sharing [B 3 O 7 ] 5– polyanionic backbone. Substituting this material with Eu 2+ yields UV excitation bands and a narrow violet emission at 416 nm with a full-width at half-maximum of 34.5 nm. More importantly, NaBaB 9 O 15 :Eu 2+ possesses a quantum yield of 95% and excellent thermal stability.
Superconductors can carry an order-of-magnitude higher current than room temperature copper wires and can do so with two orders-of-magnitude lower alternating current (AC) electrical losses. These advantages underlie our estimates that turboelectric propulsion of large aircraft can be enabled by superconducting machines. However, even the much smaller losses of superconductors pose thermal management issues at the low temperatures required for superconductivity, and predicting those losses and validating the predictions has been a developing process at NASA Glenn Research Center over the last decade. Since Glenn’s earliest assessments of the feasibility of fully superconducting machines for turboelectric propulsion, the available models of AC losses in superconductors have changed significantly, as well as the state of development of superconducting wire for the coils of electric machines. While the models available to us have improved significantly, the value of the AC losses predicted by these models have only increased as more fidelity was developed. The fabrication of medium temperature superconducting wires (Tc near 40 K) has advanced, and wires can be produced with finer filaments and tighter twisting than a decade ago. However, the ideal wire configurations, developed decades ago for low temperature superconductors (Tc < 25 K), still elude manufacturers of medium and high temperature (Tc > 77 K) superconductors. This report discusses the developments, the current limitations, and the expectations that future configurations of superconducting wire can yet be produced that will provide suitably low AC losses for the aircraft propulsion application. The report presents a basic discussion of the types of AC losses in superconductors, followed by a discussion of the evolution of our understanding of the practical consequences of those AC losses. Next, there is a discussion of the superconducting wire configurations that have been developed, which were partially guided by that understanding. A brief discussion of the modes of removing the heat produced by the losses is presented. Lastly, a comparison is presented between losses in currently available MgB2 wire and other important cases, including copper at room temperature, copper at liquid hydrogen temperature, and expected future MgB2 wire. Room temperature copper has 100 times the loss of today’s MgB2 and 300 times the expected loss of future MgB2. That implies we can expect much higher efficiency from fully superconducting machines than from machines with copper stators, and high efficiency targets remain the driver behind investment in MgB2 development and medium temperature superconductor research.
For the problem of computing the connected components of a graph, this paper considers the design of algorithms that are resilient to transient hardware faults, like bit Hips. More specifically, it applies the technique of self-stabilization. A system is self-stabilizing if, when starting from a valid or invalid state, it is guaranteed to reach a valid state after a finite number of steps. Therefore on a machine subject to a transient fault, a self-stabilizing algorithm could recover if that fault caused the system to enter an invalid state. We give a comprehensive analysis of the valid and invalid states during label propagation and derive algorithms to verify and correct the invalid state. The self-stabilizing label-propagation algorithm performs O (V log V) additional computation and requires O (V) additional storage over its conventional counterpart (and, as such, does not increase asymptotic complexity over conventional label propagation). When run against a battery of simulated fault injection tests, the self-stabilizing label propagation algorithm exhibits more resilient behavior than a triple modular redundancy (TMR) based fault-tolerant algorithm in 80% of cases. From a performance perspective, it also outperforms TMR as it requires fewer iterations in total. Beyond the fault tolerance properties of self-stabilizing label-propagation, we believe, they are useful from the theoretical perspective; and may have other use-cases.