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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 523 records · Page 29

Data-driven Mori–Zwanzig modeling of Lagrangian particle dynamics in turbulent flows

The dynamics of Lagrangian particles in turbulence play a crucial role in mixing, transport, and dispersion in complex flows. Their trajectories exhibit highly nontrivial statistical behavior, motivating the development of surrogate models that can reproduce these trajectories without incurring the high computational cost of direct numerical simulations of the full Eulerian field. This task is particularly challenging because reduced-order models typically lack access to the full set of interactions with the underlying turbulent field. Novel data-driven machine learning techniques can be powerful in capturing and reproducing complex statistics of the reduced-order/surrogate dynamics. In this work, we show how one can learn a surrogate dynamical system that is able to evolve a turbulent Lagrangian trajectory in a way that is point-wise accurate for short-time predictions (with respect to Kolmogorov time) and stable and statistically accurate at long times. This approach is based on the Mori–Zwanzig formalism, which prescribes a mathematical decomposition of the full dynamical system into resolved dynamics that depend on the current state and the past history of a reduced set of observables, and the unresolved orthogonal dynamics due to unresolved degrees of freedom of the initial state. We show how by training this reduced order model on a point-wise error metric on short time-prediction, we are able to correctly learn the dynamics of Lagrangian turbulence, such that also the long-time statistical behavior is stably recovered at test time. This opens up a range of applications, for example, for the control of active Lagrangian agents in turbulence.

97 MATHEMATICS AND COMPUTING↗

A Data-Driven Approach for High-Impedance Fault Localization in Distribution Systems

Accurate and quick identification of high-impedance faults (HIFs) is critical for the reliable operation of distribution systems. Unlike other faults in power grids, HIFs are very difficult to detect by conventional overcurrent relays due to the low fault current. Although HIFs can be affected by various factors, the voltage-current characteristics can substantially imply how the system responds to the disturbance and thus provides opportunities to effectively localize HIFs. In this work, we propose a data-driven approach for the identification of HIF events. To tackle the nonlinearity of the voltage-current trajectory, first, we formulate optimization problems to approximate the trajectory with piecewise functions. Then we collect the function features of all segments as inputs and use the support vector machine approach to efficiently identify HIFs at different locations. Numerical studies on the IEEE 123-node test feeder demonstrate the validity and accuracy of the proposed approach for real-time HIF identification.

explainable artificial intelligence↗

Data driven methods to recognize patterns in EIC weak-strong simulation

Beam-Beam simulations are currently being studied in preparation for future EIC experiments to study beam-beam effects and, in turn, maximize luminosity. Weak-strong methods are studied for single-particle dynamics during collision. 1 million macro-particles for 1 million turns are typically tracked, corresponding to only 10 seconds in the EIC. The goal of this study is to predict beam properties over the scale of hours. A potential solution focuses on using data-driven methods such as machine learning methods to analyze and extend the insights of the beam properties such as long-term nonlinear effects. This would aid in long-term predictions where results would be more efficiently acquired than a typical tracking simulation. Some limitations such as inaccurate predictions and spatial complexity are also discussed. These methods can then be applied to strong-strong simulations in the future studies.

Accelerator Physics↗

Data-Driven Scalable Emulation of Hydropower Using Real-Time Hardware-in-the-Loop

This presentation covers Motivation: (1) With the increased grid integration of inverter-based resources, hydropower plays a crucial role in maintaining the bulk power system reliability and resilience; and (2) A more dynamic response and new control designs are required to meet the grid requirements. To evaluate any modification, control-prototyping, performance validation and de-risking grid integration of hydropower, a high-fidelity environment is required. Also covers Objectives: (1) To develop data-driven emulation of hydropower using hardware-in-the-loop for different size, types of hydro plants; and (2) To characterize hardware and obtain accurate dynamic response for shaft speed, torque, and power. Provide a mechanical power interface with emulated dynamics of a hydro-turbine shaft that can be coupled to electrical generators for mechanical and electrical PHIL.

electrical↗

A Data-Driven Approach for High-Impedance Fault Localization in Distribution Systems: Preprint

Accurate and quick identification of high-impedance faults (HIFs) is critical for the reliable operation of distribution systems. Unlike other faults in power grids, HIFs are very difficult to detect by conventional overcurrent relays due to the low fault current. Although HIFs can be affected by various factors, the voltage-current characteristics can substantially imply how the system responds to the disturbance and thus provides opportunities to effectively localize HIFs. In this work, we propose a data-driven approach for the identification of HIF events. To tackle the nonlinearity of the voltage-current trajectory, first, we formulate optimization problems to approximate the trajectory with piecewise functions. Then we collect the function features of all segments as inputs and use the support vector machine approach to efficiently identify HIFs at different locations. Numerical studies on the IEEE 123-node test feeder demonstrate the validity and accuracy of the proposed approach for real-time HIF identification.

explainable artificial intelligence↗

Elucidating the formation mechanisms of zeolites using data-driven modelling and in-situ characterization

Zeolites are the main solid catalysts used by the chemical industry. The use of zeolites in separations and as shape selective catalysts requires control of the width and connectivity of their pores. 235 distinct zeolite frameworks have been synthesized to date, of over 2 million that have been proposed. Recent work indicates that the limitation is in large part kinetic: new synthetic pathways are required to access new zeolites. Organic cations are used to direct the synthesis towards specific zeolites. However, the molecular mechanisms by which cations direct the nucleation towards specific zeolites is not known. Elucidating these mechanisms is key to realize new zeolites for catalysis and separations, and is the focus of this project. This project developed and implemented a synergistic, data-driven computational and experimental approach to resolve the molecular pathways of nucleation, growth, and polymorph selection of zeolites and the role of organic cations in directing their formation. The project developed computationally efficient and accurate models for the study of the nucleation and growth of pure silica zeolites in molecular simulations, using machine learning with data from experiments. Simulations with these models were integrated with scanning tunneling electron microscopy, computer vision, and deep learning to unveil the molecular pathways of formation of a zeolite. Of particular interest in this project was to elucidate the role of amorphous precursors in the nucleation of the zeolite. Previous experiments indicate that zeolites are born within non-crystalline aggregates in which the silicates and organic cations have local and medium range order similar to that of the zeolite. The organic cations that direct the formation of zeolites and those that direct the formation of ordered mesoporous silicas are similar. We hypothesized that the frustrated attraction that for large organic cations leads to the formation of stable mesophases that direct the synthesis of mesoporous silicas, could promote the formation of metastable mesophases that can assist in the nucleation and polymorph selection of zeolites. The simulations resolved how structure directing agents build crystalline order and showed that mesoscopic pre-ordering occurs is not required to facilitate the nucleation of zeolites, because the synthesis occurs at high driving forces, where the barriers for nucleation are negligible. This project unveiled that polymorph selection in zeolite synthesis occurs after nucleation, opening a distinct area of control through the kinetics of growth and not through nucleation barriers.

36 MATERIALS SCIENCE↗

Studying the 2019 Australian Bushfires Disaster using NASA Data: A Data-Driven Storytelling Approach

The 2019-2020 Australian fire season was particularly devastating, with millions of acres of land burned and impacts affecting Australian ecology, local populations and air quality, and the atmosphere. Australia saw unprecedented heat waves, with temperatures reaching 120 F (49.1 C) in January across central and eastern Australia. The fires gave rise to a host of atmospheric phenomenon, including smoke transport and lofting generated by storm-induced by fires, known as pyrocumulonimbus, reaching the stratosphere. NASA’s satellites not only tracked the event in real time, but also gathered data to further inform forecasting and response methods in the future. To better assist the public in understanding the lead up, impacts, and aftermath effects of these fires, the Science Outreach Team at NASA Langley Research Center’s Atmospheric Science Data Center (ASDC) Distributed Active Archive Center (DAAC) used Esri’s storymap tool to guide users through understanding relevant phenomenon, contributing factors, the effects this event has had on global atmospheric composition, and the science behind researching the tie between disasters and public health. The storymap uses data from the ASDC-supported NASA missions Measurements Of Pollution In The Troposphere (MOPITT), Cloud-Aerosol and Infrared Pathfinder Satellite Observation (CALIPSO), Clouds and the Earth’s Radiant Energy System (CERES), the Stratospheric Aerosol and Gas Experiment (SAGE III), and Multi-angle Imaging SpectroRadiometer (MISR). By using data-driven storytelling to communicate impacts of a large fire event, we hope to provide an accessible, engaging science outreach tool format.

Sanjana Paul↗

Data-driven method to estimate contamination from light ion beam transmutation at colliders

Collisions of relativistic light ions, such as oxygen, neon, and magnesium, have been proposed as a way to examine the system-size dependence of dynamics typically associated with the quark-gluon plasma produced in collisions of heavier ions such as xenon, gold, or lead. Recent efforts at both the Relativistic Heavy Ion Collider (RHIC) and Large Hadron Collider (LHC) have produced large datasets of proton-oxygen, oxygen-oxygen, and neon-neon collisions, catalyzing intense interest in experimental backgrounds associated with light-ion collisions. In particular, electromagnetic dissociation of light ions while they are circulating in a collider can result in beam contamination that is difficult to simulate precisely. Here we propose a data-driven method for evaluating the potential impact of beam contaminants on physics analyses. The method exploits the time dependence and smaller size of contaminant ion species to define control regions that can be used to quantify potential contamination effects. A simple model is used to illustrate the method and to study its robustness. Furthermore, this method can inform studies of recent LHC and RHIC data and could also be useful for future light-ion programs at the LHC and beyond.

Beam loss↗

Techno-Economic Analysis of Data-Driven and Transactive Approaches for Resilience Enhancement

As extreme weather events lead to more frequent power outages, understanding and enhancing grid resilience is critical to mitigating economic losses and non-energy impacts from service disruptions. Here, this study introduces a novel techno-economic analysis framework for evaluating resilience enhancement mechanisms. The framework combines grid response modeling with a co-simulation approach and valuation methodology to provide a comprehensive assessment. We apply this framework to a realistic case study of the Texas grid during Winter Storm Uri in February 2021. Two advanced resilience strategies are analyzed: a data-driven rolling outage mechanism and a transactive energy (TE) based allocation scheme. The rolling outage scheme selectively serves customers based on real-time curtailment needs, while the TE scheme allows customers to trade energy allocations according to their preferences. Our findings show that both the rolling outage and TE schemes significantly outperform conventional methods (i.e. controlled outages) by reducing the amount of energy not supplied to customers by 41% and 64%, respectively. These approaches also enhance flexibility and customer satisfaction, while improving energy utilization for greater resilience. Additionally, they maintain thermal comfort about 3.5 times better and substantially lower customer risk exposure. A key contribution of this study is addressing both utility and customer perspectives while considering both energy and non-energy impacts. The techno-economic analysis indicates that implementing these resilience enhancement strategies would incur an additional 1.1Bto1.6B in utility costs but has the potential to avoid 17.3Bto18B of customer losses as compared to existing solutions, thereby underscoring the value of investing in advanced resilience, as it provides significant societal benefits to customers.

42 ENGINEERING↗

Data-driven prediction of geometry- and toolpath sequence-dependent intra-layer process conditions variations in laser powder bed fusion

Geometrical features and toolpath sequence are two important factors that cause process condition variations, such as variations in the meltpool temperature or meltpool size, that might lead to undesired material properties in the laser powder bed fusion (LPBF) process. Due to the high dynamics and complex physics of the LPBF process, it is difficult to predict variations in process conditions with simulations alone. Advances in measurement technology and computational technologies open up new possibilities for smart manufacturing. In this paper, a data-driven method to predict intra-layer variations in the processing conditions that source from the toolpath sequence and part geometry is presented. The approach is demonstrated using two-color on-axis pyrometer measurements. Three demonstration cases are presented in which it is demonstrated (1) how the trained predictive model can be used as a filter to ease the interpretation of process variations and discover patterns related to toolpath and part geometry, and (2) how to generate predictions that can be used for feedforward control, i.e., for adjusting laser power or scanning speed along the toolpath using a meltpool temperature prediction model generated based on on-axis measurements. Results show that the developed prediction model is able to meaningfully predict process variations resulted from toolpath sequence and geometry. Predictions are aligned with the results from the related work of others and for the case of 180° laser path turnarounds in our high-speed X-ray imaging experiments. In conclusion, the potential issues related to the current maturity status of the process and measuring equipment that could in practice affect the performance of the proposed solutions are also discussed.

42 ENGINEERING↗

Data-driven offshore CO 2 saline storage assessment methodology

The world produces approximately 50 billion tonnes of greenhouse gases annually. This is measured in CO 2 -equivalents, and geologic CO 2 storage has the potential to advance decarbonization and mitigate greenhouse gas emissions. New technologies to assess offshore carbon storage are needed to address resource, regulatory, and commercial needs. Although most efforts to assess storage resources focus on onshore criteria, offshore reservoirs offer significant storage potential and distinct development challenges. Potential advantages of offshore carbon storage include being further from human population centers and less potential to interact with groundwater. The U.S. Department of Energy's method for evaluating storage capacity in non-oil-bearing saline reservoirs has been enhanced to support assessments for offshore environments in the Offshore CO 2 Saline Storage methodology (OCSS). This methodology applies data-driven capabilities to estimate saline storage capacity while accounting for features specific to offshore reservoirs. Features include changes in CO 2 density and sedimentary differences that impact estimates of permanence and capacity. The Offshore CO 2 Saline Storage Calculator mechanizes OCSS to estimate storage capacity. This paper presents the methodology and estimates for 18 geologic domains in the Gulf of Mexico. Potential storage distributions, sensitivity analyses, and the incorporation of spatial data and tools to support safe site selection are also discussed.

58 GEOSCIENCES↗

A data driven approach for cross-slip modelling in continuum dislocation dynamics

Cross-slip is a thermally activated process by which screw dislocation changes its glide plane to another slip plane sharing the same Burgers vector. The rate at which this process happens is determined by a Boltzmann type expression that is a function of the screw segment length and the stress acting on the dislocation. In continuum dislocation dynamics (CDD), the information regarding the length of the screw dislocation segment and local stress state on dislocations are lost due to the coarse-grained representation of the density. Here, in this work, a data driven approach to characterize the lost information by analyzing the discrete dislocation configurations is proposed to enable cross-slip modeling in the CDD framework in terms of the coarse-grained dislocation density and stress fields. The analysis showed that the screw segment length follows an exponential distribution, and the stress fluctuations, defined as the difference between the stress on the dislocations and the mean field stress in CDD, follows a Lorentzian distribution. A novel approach for cross slip implementation in CDD employing the screw segment length and stress fluctuation statistics was proposed and rigorously tested by comparing the CDD cross-slip rates with discrete dislocation dynamics (DDD) rates. This approach has been applied in conjunction with three cross-slip models used in DDD simulations differing mainly in the functional form of cross slip activation energy. It was found that different cross-slip activation energy formulations yielded different cross-slip rates, yet the effect on mechanical stress-strain response and dislocation density evolution was minimal for the [001] type loading.

42 ENGINEERING↗

Comprehensive framework for data-driven model form discovery of the closure laws in thermal-hydraulics codes

The two-phase two-fluid model is a basis of many thermal-hydraulics codes used in design, licensing, and safety considerations of nuclear power plants. Thermal-hydraulics codes rely on the closure laws to close the system of conservation equations and describe the interactions between phases. These laws, derived from years of experimental investigations, are semi-empirical correlations that lack generality and have a limited range of applicability. Increase of computational power, availability of new experiments, and development of high-fidelity simulations has increased the number of validation data. The discrepancies between the code predictions and the validation data are a great source of knowledge. Missing physics that are not included in the model but are important for the considered phenomena can be discovered by propagating the information from the experimental results through the model. Furthermore, physics-discovered data-driven model form (P3DM) methodology integrates available integral effect tests and separate effects tests to determine the necessary corrections to the model form of the closure laws. In contrast to existing calibration techniques, the methodology modifies the functional form of the closure laws. Based on the functional form of the correction, the missing physics that were not included in the original model can be discovered. The methodology provides the alternative to the machine learning approach, in which the model is discovered in the form of the intractable black-box relation. In this work, the methodology was applied to the CTF subchannel code to improve the prediction of the two-phase flow phenomena.

42 ENGINEERING↗

Error-mitigated data-driven circuit learning on noisy quantum hardware

Application-level benchmarks measure how well a quantum device performs meaningful calculations. In the case of parameterized circuit training, the computational task is the preparation of a target quantum state via optimization over a loss landscape. This is complicated by various sources of noise, fixed hardware connectivity, and generative modeling, the choice of target distribution. Gradient-based training has become a useful benchmarking task for noisy intermediate-scale quantum computers because of the additional requirement that the optimization step uses the quantum device to estimate the loss function gradient. In this work, we use gradient-based data-driven circuit learning to qualitatively evaluate the performance of several superconducting platform devices and present results that show how error mitigation can improve the training of quantum circuit Born machines with 28 tunable parameters.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Data Driven Analysis for Modernization Program Management

NNSA is responsible for managing national nuclear security missions: ensuring a safe, secure, and reliable nuclear deterrent; supplying nuclear fuel to the Navy; and supporting the nation’s nuclear nonproliferation efforts. However, over half of NNSA’s facilities are more than 40 years old, and roughly one-third date back to the Manhattan Project. To execute its critical nuclear security missions, NNSA is making large investments to modernize its nuclear production capabilities. This ramp up represents NNSA’s largest modernization effort since the Cold War. Given the scale of these efforts, NNSA’s Office of Secondary Stage Production Modernization has implemented data driven techniques to prioritize investments and inform strategic decision making. NNSA, with support from its site managing contractors, has developed and implemented an integrated schedule and risk management system to address the issues and limitations with the traditional approach. The multi-year integrated schedules are key to identifying program linkages and managing large portfolios comprised of many different projects and efforts. In conjunction with the integrated schedule, a new program risk management system has also been developed and implemented, which manages program risks and opportunities, along with specific mitigation strategies to reduce or eliminate the risks per timelines that are tracked in the integrated schedule. This paper is supplemented with a follow-on presentation on effective management of program material and throughput modeling.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Data-Driven Modeling of a High Capacity Cryogenic System for Control Optimization

The Cryogenic Moderator System (CMS) is responsible for maintaining a steady flow of cold neutrons for numerous physics experiments at the Spallation Neutron Source (SNS) in Oak Ridge National Laboratory (ORNL). Sudden losses in beam power, known as beam trips, cause a major disturbance to the CMS due to large step changes in cooling demands. Ongoing efforts on upgrading the neutron beam power from 1.4 to 2.0MW are expected to generate larger transients that can further strain the CMS subsystems if they are not properly controlled. To manage such disturbances, four flow valves and one electric heater are adjusted by five decentralized proportional-integral-derivative (PID) controllers. However, the original PID gains were calibrated empirically based only on tracking performance and not based on disturbance rejection. To address this issue without compromising current CMS operations, a control-oriented model was developed to recalibrate the PID controllers offline. The zero-dimensional (0-D) model was based on simple physics-based principles and data-driven system identification techniques. The CMS was broken into several subsystems for analysis, each of which corresponds to a parametric model tied to the thermodynamic states of the working fluid. The model parameters were identified using the nonlinear least squares method where the residuals were calculated from available sensor data. Simulation results show that the proposed model can capture the dynamics of the CMS at steady state and during beam trips.

Maldonado Puente, Bryan↗

Correlating processing variables to material properties in recycled polypropylene: A data‐driven approach

Abstract Polypropylene (PP) is one of the most widely used plastics, yet its recycling remains limited, with less than 1% of solid waste PP being reprocessed. Mechanical recycling through extrusion is the most practical method, but inconsistent reprocessing conditions introduce variability in material properties. While temperature, screw speed, and residence time influence the thermomechanical stress applied during reprocessing, there are no standardized guidelines for optimizing these parameters. This study examines how these factors shape the properties of recycled PP, using conditions designed to mimic post‐industrial recycled (PIR) scrap. Residence time was measured using colorimetric tracking and correlated with molecular weight, viscosity, and mechanical properties over multiple extrusion cycles. Data‐driven modeling, including response surface methodology, support vector machines, and artificial neural networks, identified processing temperature as the dominant factor in material degradation, followed by residence time. Mechanical properties remained stable, while viscosity decreased predictably with increasing residence time. By linking reprocessing conditions to property evolution, this study provides a method to optimize processing parameters and reduce variability in recycled PP. These findings help manufacturers improve process control, making recycled PP more predictable for reuse in manufacturing. Highlights Study of PIR‐quality PP without additives or compatibilizers. Residence time analysis shows processing temperature drives PP property changes. Mark‐Houwink enables quick molecular weight checks for quality control. Models predict mechanical and rheological shifts in reprocessing. Optimized processing parameters minimize property degradation in recycling.

Estela‐García, John E. [Polymer Engineering Center↗

Data-driven methods for diffusivity prediction in nuclear fuels

The growth rate of structural defects in nuclear fuels under irradiation is intrinsically related to the diffusion rates of the defects in the fuel lattice. The generation and growth of atomistic structural defects can significantly alter the performance characteristics of the fuel. This alteration of functionality must be accurately captured to qualify a nuclear fuel for use in reactors. Predicting the diffusion coefficients of defects and how they impact macroscale properties such as swelling, gas release, and creep is therefore of significant importance in both the design of new nuclear fuels and the assessment of current fuel types. In this article, we apply data-driven methods focusing on machine learning (ML) to determine various diffusion properties of two nuclear fuels—uranium oxide and uranium nitride. We show that using ML can increase, often significantly, the accuracy of predicting diffusivity in nuclear fuels in comparison to current analytical models. We also illustrate how ML can be used to quickly develop fuel models with parameter dependencies that are more complex and robust than what is currently available in the literature. In conclusion, these results suggest there is potential for ML to accelerate the design, qualification, and implementation of nuclear fuels.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗