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All sources NASA NTRS DOE OSTI

DOE OSTI2022

Grain‐Boundary‐Rich Noble Metal Nanoparticle Assemblies: Synthesis, Characterization, and Reactivity

Abstract Here, a comprehensive study on the synthesis, characterization, and reactivity of grain‐boundary (GB)‐rich noble metal nanoparticle (NP) assemblies is presented. A facile and scalable synthesis of Pt, Pd, Au, Ag, and Rh NP assemblies is developed, in which NPs are predominantly connected via Σ3 (111) twin GBs, forming a network. Driven by water electrolysis, the random collisions and oriented attachment of colloidal NPs in solution lead to the formation of Σ3 (111) twin boundaries and some highly mismatched GBs. This synthetic method also provides convenient control over the GB density without altering the crystallite size or GB type by varying the NP collision frequency. The structural characterization reveals the presence of localized tensile strain at the GB sites. The ultrahigh activity of GB‐rich Pt NP assembly toward catalytic hydrogen oxidation in air is demonstrated, enabling room‐temperature catalytic hydrogen sensing for the first time. Finally, density functional theory calculations reveal that the strained Σ3(111) twin boundary facilitates oxygen dissociation, drastically enhancing the hydrogen oxidation rate via the dissociative pathway. This reported large‐scale synthesis of the Σ3 (111) twin GB‐rich structures enables the development of a broad range of high‐performance GB‐rich catalysts.

Geng, Xin↗

DOE OSTI2020

Chapter 7: Predictive Analytics in Future Power Systems: A Panorama and State-of-the-Art of Deep Learning Applications

The challenges surrounding the optimal operation of power systems are growing in various dimensions, due in part to increasingly distributed energy resources and a progression towards large-scale transportation electrification. Currently, the increasing uncertainties associated with both renewable energy generation and demand are largely being managed by increasing operational reserves - potentially at the cost of suboptimal economic conditions - in order to maintain the reliability of the system. This chapter looks at the big picture role of forecasting in power systems from generation to consumption and provides a comprehensive review of traditional approaches for forecasting generation and load in various contexts. This chapter then takes a deep dive into the state-of-the-art machine learning and deep learning approaches for power systems forecasting. Furthermore, a case study of multi-time-horizon solar irradiance forecasting using deep learning is discussed in detail. Smart grids form the backbone of the future interdependent networks. For addressing the challenges associated with the operations of smart grid, development and wide adoption of machine learning and deep learning algorithms capable of producing better forecasting accuracies is urgently needed. Along with exploring the implementation and benefits of these approaches, this chapter also considers the strengths and limitations of deep learning algorithms for power systems forecasting applications. This chapter, thus, provides a panoramic view of state-of-the-art of predictive analytics in power systems in the context of future smart grid operations.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2021

Large-Scale Classification of Urban Structural Units From Remote Sensing Imagery

Remote sensing in combination with deep learning has become instrumental for efficiently and accurately classifying land-use and land-cover across large geographic areas. These technologies have also been successful in characterizing urban environments in terms of their structural units, structure types, or morphological regions. In these approaches, an urban area is partitioned into regions that exhibit homogeneous physical characteristics. However, existing approaches are typically limited to a single city, use inconsistent typologies, and lack scalability and generalization capacity. In this article, we propose an urban structural units categorization scheme and demonstrate its utility by applying it to 13 cities. Inspired by the lack of scalability and generalization capacity in urban structural units mapping, we extend the reach of deep learning and conduct a set of classification experiments in all 13 cities. These experiments offer insights into the strengths and limitations of deep neural networks for classifying urban structural units over diverse geographic regions and on heterogeneous collections of satellite imagery. The efficacy of the proposed deep learning approach is compared to a baseline method of multiscale image features and support vector machines. Our validation on five cities shows that better performance is achieved with deep neural networks. Additionally, we evaluate the impact of input size, model depth, and spatial pyramid pooling to assess the generalization capacity of deep neural networks.

47 OTHER INSTRUMENTATION↗

DOE OSTI2024

Decode the Workload: Training Deep Learning Models for Efficient Compute Cluster Representation

Monitoring the status of a high throughput computing cluster running computationally intensive production jobs is a crucial yet challenging system administration task due to the complexity of such systems. To this end, we train autoencoders using the Linux kernel CPU metrics of the cluster. Additionally, we explore assisting these models with graph neural networks to share information across threads within a compute node. The models are compared in terms of their ability to: 1) Produce a compressed latent representation that captures the salient features of the input, 2) Detect anomalous activity, and 3) Make distinction between different kinds of jobs run at Jefferson Lab. The goal is to have a robust encoder whose compressed embeddings are used for several downstream tasks. We extend this study further by deploying these models in a human-in-the-loop production-based setting for the anomaly detection task and discuss the associated implementation aspects such as continual learning and the criterion to generate alarms. This study represents a first step in the endeavor towards building self-supervised large-scale foundation models for computing centers.

Mohammed, Ahmed↗

NASA NTRS2000

Adaptivity in Agent-Based Routing for Data Networks

Adaptivity, both of the individual agents and of the interaction structure among the agents, seems indispensable for scaling up multi-agent systems (MAS s) in noisy environments. One important consideration in designing adaptive agents is choosing their action spaces to be as amenable as possible to machine learning techniques, especially to reinforcement learning (RL) techniques. One important way to have the interaction structure connecting agents itself be adaptive is to have the intentions and/or actions of the agents be in the input spaces of the other agents, much as in Stackelberg games. We consider both kinds of adaptivity in the design of a MAS to control network packet routing. We demonstrate on the OPNET event-driven network simulator the perhaps surprising fact that simply changing the action space of the agents to be better suited to RL can result in very large improvements in their potential performance: at their best settings, our learning-amenable router agents achieve throughputs up to three and one half times better than that of the standard Bellman-Ford routing algorithm, even when the Bellman-Ford protocol traffic is maintained. We then demonstrate that much of that potential improvement can be realized by having the agents learn their settings when the agent interaction structure is itself adaptive.

Wolpert, David H.↗

NASA NTRSDate not supplied

Stiffness and Fatigue Life Estimator for Polymer Composite Laminates Using Machine Learning

Machine learning (ML) models are increasingly being used in many engineering fields due to the advancements in ML algorithms and availability of high-speed computing power. One of the most popular ML class of models is artificial neural networks (ANN). ML is increasingly being used in the design and analysis of composite materials and structures, specifically in the constitutive modeling of composite materials with the focus on greatly accelerating multiscale analyses of composite materials and structures through development of surrogate models. Towards that end, Python-based neural nets have been developed to predict initial stiffness and fatigue life of an eight-ply symmetric polymer matrix composite laminate. Two types of neural networks, a Multilayer Perceptron (MLP) and a Recurrent Neural Network (RNN), have been established. Results show that both neural net type algorithms can provide an excellent estimate of initial laminate stiffness as well as fatigue life of eight-ply symmetric polymer matrix composite laminates (PMCs). RNNs are better able to capture the shape of the fatigue curve of a laminate. The resulting tool and GUI can be very useful for system level studies to obtain an estimate of desired properties and life of PMC composite laminates. Further, the associated surrogate models can also be used in composite multiscale analyses to replace the actual physics-based calculations at lower scales and thereby significantly increase the computational efficiency of such analyses and thus make micromechanics-based multiscale analyses a viable industrial tool for large scale structural problems.

multiscale analysis↗

NASA NTRS2023

Stiffness and Fatigue Life Estimator for Polymer Composite Laminates Using Machine Learning

multiscale analysis↗

DOE OSTI2023

Modular HF Isolated MV String Inverters Enable a New Paradigm for Large PV Farms

The “Modular HF Isolated MV String Inverters Enable a New Paradigm for Large PV Farms” project focuses on exploring alternative power converter and system-level plant configurations to achieve the lowest cost and highest energy output for a given solar plus storage (e.g., PV + battery) plant, including the use of medium voltage (MV) collection while taking into account detailed models of all elements. To realize this objective, four approaches were utilized (i) employ a novel Medium Voltage String Inverter (MVSI) topology (soft switching solid state transformer – S4T) to convert 1000 Vdc to 4.16 kVac; (ii) plant collection using standard, low-cost overhead MV distribution network; (iii) enable energy storage integration without additional converter cost to achieve dispatchability of the PV resource; and (iv) provide advanced functionality (autonomous operation, track ISO signals for dynamic balancing and ancillary services, and PV farm operation as a virtual grid resource). Subsequently and in alignment with the previously mentioned approaches, the project was structured in five efforts (i) S4T MVSI simulation and design; (ii) system analysis and storage optimization; (iii) financial analysis; (iv) power converter prototype build and test; and (v) regulatory and commercial impact study. The outcomes provided by each effort can be summarized as follows (i) Project explored the use of MV AC distribution architecture for hybrid PV+storage utility-scale PV farms; (ii) Detailed loss and LCOE analysis for AC and DC side BESS architecture, including multiple converter topologies, as well as for proposed MVSI/MDCT systems; (iii) MVSI was built and holds promise but needs lower-cost high-voltage Si-C devices, which does not seem possible in the near term; (iv) MDCT provides a simpler modular building block – validated through HIL and farm level modeling, simulation and experimental validation; (v) 300 kVA MDCT prototype built and tested, technology is being commercialized; and (vi) Regulatory model of utility building PV plants, where PV panels are treated as DC generation (IPP), seems viable and can allow improved grid integration.

14 SOLAR ENERGY↗

NASA NTRS2011

Infrasonic Detection of a Large Bolide over South Sulawesi, Indonesia on October 8, 2009: Preliminary Results

In the morning hours of October 8, 2009, a bright object entered Earth's atmosphere over South Sulawesi, Indonesia. This bolide disintegrated above the ground, generating stratospheric infrasound returns that were detected by infrasonic stations of the global International Monitoring System (IMS) Network of the Comprehensive Nuclear-Test-Ban Treaty Organization (CTBTO) at distances up to 17 500 km. Here we present instrumental recordings and preliminary results of this extraordinary event. Using the infrasonic period-yield relations, originally derived for atmospheric nuclear detonations, we find the most probable source energy for this bolide to be 70+/-20 kt TNT equivalent explosive yield. A unique aspect of this event is the fact that it was apparently detected by infrasound only. Global events of such magnitude are expected only once per decade and can be utilized to calibrate infrasonic location and propagation tools on a global scale, and to evaluate energy yield formula, and event timing.

Silber, E. A.↗

DOE OSTI2022

Registration and fusion of large-scale melt pool temperature and morphology monitoring data demonstrated for surface topography prediction in LPBF

In-situ monitoring technologies for laser powder bed fusion (LPBF) additive manufacturing often face one key challenge, extracting the ultrafast melt pool (MP) signatures for understanding the localized part properties. Further, the spatial information of each monitored MP signature is essential for correlating the MP – part property. This spatial information is often unavailable especially from commercial LPBF printers. Many MP monitoring methods have been reported and utilized. However, very few of these have the MP’s spatial information. To overcome this challenge, in this work we report a method for spatially registering the key MP signatures (MP intensity, temperature, and area) to the monitored print parts. The MP signatures are obtained from our coaxial high-speed single-camera based two-wavelength imaging pyrometry (STWIP) system and the MP spatial information is obtained from an off-axis camera system. A machine learning aided image analysis method is employed to retrieve the spatial distribution of MPs within the corresponding part’s coordinates system. Then, the MP signature maps (MPSMs) are reconstructed by mapping the STWIP measured MP signatures to the registered MP coordinates. Further, a long short-term memory (LSTM) neural network is developed for estimating the layer surface topography from the registered MPSMs. The obtained results indicate that the layer surface topography can be more accurately estimated by using MP temperature signature rather than MP intensity and/or area signatures as in common practice. Finally, our developed methods for MP monitoring, registration, and MP-surface topography prediction offer advanced capabilities for the online detection of process anomalies and part defects.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Machine learning and deep learning for mineralogy interpretation and CO 2 saturation estimation in geological carbon Storage: A case study in the Illinois Basin

Carbon capture and storage (CCS) is a promising approach to simultaneously maintaining energy security and reducing carbon dioxide (CO 2 ) emissions under the current energy portfolio that is dominated by fossil fuel energy. Pre-injection formation characterization and post-injection CO 2 monitoring are two critical tasks to guarantee storage efficiency in CCS. The CCS projects in the Illinois Basin, the first large-scale CO 2 injection into saline aquifers in the United States, employed conventional and the latest pulsed neutron logging (PNL) tools for mineralogy interpretation and CO 2 saturation estimation, which provide valuable references for future CCS projects. Because of the inherent fuzziness of petrophysical measurements and complex subsurface heterogeneity, interpreting well-logging data is time-consuming, and its accuracy can be user-biased. In recent years, data-driven methods have been widely used to capture the non-linear patterns between input features and interpretation results. This work applied and evaluated four commonly used machine learning (ML) models, including ridge regression (RR), random forest (RF), gradient boosting regression (GBR), support vector regression (SVR), and one deep learning (DL) model, the artificial neural network (ANN). We optimized the hyperparameters of the four ML models and the DL model using the simulated annealing algorithm and the grid search strategy, respectively. The input features of the mineralogy interpretation models were eleven conventional well-logging parameters, and the label data (i.e., ground truth) were the porosity and volumetric fractions of six minerals, including quartz, feldspar, dolomite, calcite, clay, and iron minerals. The results demonstrated that the GBR and RF models were superior in predicting volumetric fractions of minerals and porosity; label data with low coefficient of variation (CV) values tended to yield better performance. For CO 2 saturation estimation, the RF was the best-performing model, followed by SVR, ANN, GBR, and RR. Furthermore, we conducted feature importance ranking using the permutation importance algorithm and found that the formation sigma and well pressure were the most important features in this study. In conclusion, the study of CCS projects in the Illinois Basin bridges the gap between the limited knowledge and understanding of geological carbon storage and the increasing demand for reliable, cost-effective, and sustainable energy solutions.

58 GEOSCIENCES↗

DOE OSTI2026

Human Supervision of Autonomous Vehicle Fleet Operations and Associated Passenger Communications: Preprint

Advances in automated vehicle (AV) technology and expanded operations are rapidly emerging with Automated Mobility District (AMD) deployments in global cities. NLR's AMD research addresses critical elements of human supervision of AV fleet operations and associated passenger communications for vehicles in which no driver or safety attendant is present. Although sufficiently advanced AVs no longer have direct oversight by a driver, fleet management remains staffed with operations personnel at the operations command and control (OCC) facility. This paper examines the functionality of the OCC, drawing comparisons of how automated train control and automated people mover OCCs operate. Within an AMD, the OCC manages various vehicle types, sizes, and operational modes, including on-demand and fixed route service, to facilitate a 'network of networks' for transport within a metropolitan area. The OCC serves as oversight for multiple AV fleets assisting AVs via remote operation of vehicles, communication, and dispatching personnel to resolve problems. The OCC also coordinates system operation, geographically staging vehicles, and managing weather, police, and emergency events. Informed by traffic management center (TMC) strategies using highly integrated software and communications, OCCs facilitate seamless information flows. OCC personnel remotely assist passengers and oversee multi-party operation to ensure safety and security. Although social norms mitigate large-capacity unattended vehicle operations, social interaction in multi-party automated small vehicles has little precedent. This poses a new frontier for society and requires research to effectively understand and manage. Future research will monitor OCC implementations, passenger interfaces, and deployment scaling of initial AMD systems.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2026

Improving ProtoDUNE pion cross-section measurements with NuGraph Michel-electron tagging

Understanding hadron-argon interactions is essential for precise neutrino energy reconstruction and final-state interaction modeling in liquid-argon time projection chamber (LArTPC) experiments such as DUNE. In particular, pion absorption and charge-exchange processes constitute significant sources of systematic uncertainty in neutrino oscillation measurements. ProtoDUNE-SP, a large-scale LArTPC prototype operated at the CERN Neutrino Platform and exposed to charged-particle test beams in the few-GeV range, enables direct measurements of these processes. This work focuses on the measurement of differential cross sections for pion absorption and charge exchange using the 2 GeV/c pion beam data from the ProtoDUNE-SP run. A key component of this analysis is the identification of Michel electrons from $\pi \rightarrow \mu \rightarrow e$ decay chains, which helps separate different interaction topologies and improves background rejection. Michel electron identification will also assist in reliably calibrating the electromagnetic response in ProtoDUNE-SP data and for the future DUNE detectors. In this analysis, we apply NuGraph to identify Michel electrons. NuGraph is a graph neural network that models detector hits as nodes connected by spatial and temporal edges for particle and topology classification in LArTPC detectors. We first benchmark NuGraph’s Michel electron classification performance using ICEBERG data, a small-scale LArTPC prototype used for DUNE electronics and reconstruction development, and then transfer the approach to ProtoDUNE-SP. This poster presents the analysis strategy, NuGraph-based classification studies, and discusses how these developments are expected to improve the pion cross-section measurement.

Razafinime, Soamasina Herilala [Cincinnati U.] (OR↗

DOE OSTI2022

SPANet: Generalized permutationless set assignment for particle physics using symmetry preserving attention

The creation of unstable heavy particles at the Large Hadron Collider is the most direct way to address some of the deepest open questions in physics. Collisions typically produce variable-size sets of observed particles which have inherent ambiguities complicating the assignment of observed particles to the decay products of the heavy particles. Current strategies for tackling these challenges in the physics community ignore the physical symmetries of the decay products and consider all possible assignment permutations and do not scale to complex configurations. Attention based deep learning methods for sequence modelling have achieved state-of-the-art performance in natural language processing, but they lack built-in mechanisms to deal with the unique symmetries found in physical set-assignment problems. We introduce a novel method for constructing symmetry-preserving attention networks which reflect the problem's natural invariances to efficiently find assignments without evaluating all permutations. This general approach is applicable to arbitrarily complex configurations and significantly outperforms current methods, improving reconstruction efficiency between 19% - 35% on typical benchmark problems while decreasing inference time by two to five orders of magnitude on the most complex events, making many important and previously intractable cases tractable. A full code repository containing a general library, the specific configuration used, and a complete dataset release, are available at https://github.com/Alexanders101/SPANet

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2025

From tides to seasons: How cyclic tidal drivers and plant physiology interact to affect carbon cycling at the terrestrial-estuarine boundary (Final technical report)

Coastal ecosystems are among the most biologically and biogeochemically active and diverse systems on Earth. Because they act as important linkages between terrestrial ecosystems and the open ocean, their incorporation in Earth system models (ESMs) is critical to predict coastal and global responses to environmental changes. However, they vary greatly in the magnitude of tides and the volume and timing of freshwater input from land, making it challenging to model the major biogeochemical reactions that control productivity and greenhouse gas emissions across coastal terrestrial aquatic interfaces (TAIs). Our overall objective was to improve mechanistic process understanding and modeling of tidal wetland hydro-biogeochemistry in coastal TAIs. We established a new flux tower site (Ameriflux US-PLo) in the oligohaline part of the Parker River to continuously monitor ecosystem-scale carbon fluxes under temporally varying salinity conditions. The site is co-located with long-term monitoring plots of the Plum Island Ecosystems LTER project. We installed wells and redox sensors in the marsh interior and creek bank, established biomass monitoring plots and deployed novel optode sensors in both locations. We used this data to parameterize plant-mediated transport in PFLOTRAN and tested the impact of soil heterogeneity on porewater constituents and gas fluxes. We collected observations of root oxygen release with a novel planar optode system in the field. Flux data collected during the measurement period encompasses a large variation in salinity ranging from drought to record precipitation years. We developed a method to extract functional relationships from the flux data using artificial neural networks, identifying salinity thresholds for CH 4 fluxes. Finally, we are using the coupled ELM-PFLOTRAN model to test the impact of antecedent hydrological conditions on the salinity-CH 4 flux relationship. This grant contributed to the professional development of one postdoc, three research assistants and one graduate student. The sensor data has been shared with external collaborators.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

FLEXIBLE POWER TRANSFORMERS TO IMPROVE RESILIENCY OF TRANSMISSION NETWORKS

For decades, transformer flexibility of operation has been limited to adjustable voltage ratio and, in some cases, several ratings with staged cooling. Transformers reconnectable to multiple voltage ratings have been primarily applied as emergency replacements. Other versions of “flexible transformers” were developed for continuous, long-term operation at specific sites, with application limited to large utilities. A new technology that supports today’s power systems adaptability requirements has been developed to provide not only voltage and power rating flexibility, but also an adjustable short-circuit impedance. This last, unique feature allows for a closer match to actual system operational requirements and could be used in the future to enhance resiliency and improve dynamic control of electrical grids. While the solution’s fundamentals have already been introduced in several technical forums, the intention of this article is to focus on the potential benefits of this new type of transformer and share the deployment experience of a full-scale prototype that has been in operation in a major U.S. utility since 2021

flexible transformer, resilient grid, variable lea↗

NASA NTRS2016

Basin-Scale Assessment of the Land Surface Water Budget in the National Centers for Environmental Prediction Operational and Research NLDAS-2 Systems

The purpose of this study is to evaluate the components of the land surface water budget in the four land surface models (Noah, SAC-Sacramento Soil Moisture Accounting Model, (VIC) Variable Infiltration Capacity Model, and Mosaic) applied in the newly implemented National Centers for Environmental Prediction (NCEP) operational and research versions of the North American Land Data Assimilation System version 2 (NLDAS-2). This work focuses on monthly and annual components of the water budget over 12 National Weather Service (NWS) River Forecast Centers (RFCs). Monthly gridded FLUX Network (FLUXNET) evapotranspiration (ET) from the Max-Planck Institute (MPI) of Germany, U.S. Geological Survey (USGS) total runoff (Q), changes in total water storage (dS/dt, derived as a residual by utilizing MPI ET and USGS Q in the water balance equation), and Gravity Recovery and Climate Experiment (GRACE) observed total water storage anomaly (TWSA) and change (TWSC) are used as reference data sets. Compared to these ET and Q benchmarks, Mosaic and SAC (Noah and VIC) in the operational NLDAS-2 overestimate (underestimate) mean annual reference ET and underestimate (overestimate) mean annual reference Q. The multimodel ensemble mean (MME) is closer to the mean annual reference ET and Q. An anomaly correlation (AC) analysis shows good AC values for simulated monthly mean Q and dS/dt but significantly smaller AC values for simulated ET. Upgraded versions of the models utilized in the research side of NLDAS-2 yield largely improved performance in the simulation of these mean annual and monthly water component diagnostics. These results demonstrate that the three intertwined efforts of improving (1) the scientific understanding of parameterization of land surface processes, (2) the spatial and temporal extent of systematic validation of land surface processes, and (3) the engineering-oriented aspects such as parameter calibration and optimization are key to substantially improving product quality in various land data assimilation systems.

NLDAS-2↗

DOE OSTI2024

Parallel measurement of transcriptomes and proteomes from same single cells using nanodroplet splitting

Single-cell multiomics provides comprehensive insights into gene regulatory networks, cellular diversity, and temporal dynamics. Here, we introduce nanoSPLITS (nanodroplet SPlitting for Linked-multimodal Investigations of Trace Samples), an integrated platform that enables global profiling of the transcriptome and proteome from same single cells via RNA sequencing and mass spectrometry-based proteomics, respectively. Benchmarking of nanoSPLITS demonstrates high measurement precision with deep proteomic and transcriptomic profiling of single-cells. We apply nanoSPLITS to cyclin-dependent kinase 1 inhibited cells and found phospho-signaling events could be quantified alongside global protein and mRNA measurements, providing insights into cell cycle regulation. We extend nanoSPLITS to primary cells isolated from human pancreatic islets, introducing an efficient approach for facile identification of unknown cell types and their protein markers by mapping transcriptomic data to existing large-scale single-cell RNA sequencing reference databases. Accordingly, we establish nanoSPLITS as a multiomic technology incorporating global proteomics and anticipate the approach will be critical to furthering our understanding of biological systems.

59 BASIC BIOLOGICAL SCIENCES↗