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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,045 records · Page 58
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Hydropower Infrastructure – LAkes, Reservoirs, and RIvers (HILARRI)

HILARRI is a database of links between major datasets of operational hydropower dams and powerplants, and inland water bodies. These connections are critical for conducting large-scale analysis of hydropower infrastructure and their associated natural and engineered water systems. Features include: – Dams from the National Inventory of Dams (2024) and the Global Reservoir and Dam Database (GRanD v1.3) – Hydropower plants from the Existing Hydropower Assets dataset (EHA 2024) These hydropower infrastructure features are linked to several major datasets that provide hydrologic and hydraulic information relevant for analysis of hydropower systems that includes the integral water resources. That information comes from: – Products from the National Hydrography Dataset (NHD) – NHDPlusV2 Medium Resolution river network flowlines, – NHD waterbodies (limited to lakes and reservoirs), – NHD Watershed Boundary Dataset (HUC12-level for the Conterminous United States (CONUS)) – NHD High Resolution waterbodies – HydroLAKES water bodies (lakes and reservoirs) – LAGOS-US lakes and reservoirs – EPA National Lakes Assessment (2007, 2012, 2017, and 2022) – The Reservoir Sedimentation Database (RESSED) Unique identifiers are used to facilitate joining to the original full datasets. For example, characteristics of NHD flowlines such as estimated average flow rate can be joined from the NHDPlusV2 dataset to a dam or power plant listed in HILARRI based on the ID field, “COMID”, that is common to both datasets. HILARRI only includes basic information about identifiers, location, and data quality or usage notes. It does not contain the attributes or time series data associated with these sites. The HILARRI dataset incorporates information from several datasets to facilitate more effective and accurate analysis of hydropower infrastructure and their associated waterbodies. For example, dams were checked against the most recent American Rivers Dam Removal Database to identify and flag facilities that may no longer exist. Additionally, dams that are listed multiple times in the NID are identified and flagged to avoid double-counting when analyzing and summarizing information. Other quality flags include certainty of operational hydropower (i.e., if one or more datasets indicates hydropower at a particular location), whether an associated water body is accurate or composed of multiple polygons, or whether there is a known issue with reported characteristics in one of the underlying datasets. These additional data flags are designed to increase confidence in data usage for individual to large-scale analyses.

13 HYDRO ENERGY↗
DOE OSTI2025

Applications of Nickelate perovskites for neuromorphic computing from electronic structure and Machine Learning

While the limit of Moore's law is presently being reached with current microelectronic technologies, we need to develop new paradigms that overcome this limitation. In that respect, neuromorphic computing is a concept that emulates the neural behavior and response of the human brain, and it has been recognized as a promising alternative approach. In this research project, we will perform multi-fidelity scale bridging to explore the potential use of materials with metal to insulator transition for neuromorphic applications. In particular, rare earth nickelates are promising for such purposes, as the transition in these materials is quite sensitive to a broad set of different external stimuli. Our multi-fidelity approach will bridge the high-fidelity electronic structure calculations with classical potentials. We will bridge dynamical mean field theory with a classical atomistic representation via a deep learning force field. The neural network is trained with energies, charges, and forces obtained by accurate electronic structure theories based on Dynamical Mean Field Theory. The configurational space is generated from known crystal phases, ab initio molecular dynamics with exchange-correlation functionals corrected with the Hubbard model, disordered phases with different concentrations of oxygen vacancies, and nonsymmetrical positions and induced strain by grain interfaces or contact with a substrate. Strategies to train the model with a reduced number of training examples are obtained from active learning methods, and new structures for improving the learning process are generated by using machine learning autoencoders. This classical potential will be validated through a diversity of electronic structure methods and represents an important step to combine the flexibility and accuracy of first-principles with the speed of classical potentials. The generated multi-fidelity surrogate model will be used to understand the role of strain, oxygen vacancies, proton doping, the variation of the crystal phase, substrate effects, vibrational effects as the octahedral rotation, grain boundaries and defect effects on the response of a Metal to Insulator Transition (MIT) in correlated materials. Long time and large-scale simulations will help understand the role of different stimuli to control the hysteresis of the MIT, as it has been experimentally suggested. Selected configurations will be analyzed with higher-level theories to provide an accurate electronic description and to study how the orbitals and charges are rearranged under different conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Communication-Avoiding and Memory-Constrained Sparse Matrix-Matrix Multiplication at Extreme Scale

Sparse matrix-matrix multiplication (SpGEMM) is a widely used kernel in various graph, scientific computing and machine learning algorithms. In this paper, we consider SpGEMMs performed on hundreds of thousands of processors generating trillions of nonzeros in the output matrix. Distributed SpGEMM at this extreme scale faces two key challenges: (1) high communication cost and (2) inadequate memory to generate the output. Furthermore, we address these challenges with an integrated communication-avoiding and memory-constrained SpGEMM algorithm that scales to 262,144 cores (more than 1 million hardware threads) and can multiply sparse matrices of any size as long as inputs and a fraction of output fit in the aggregated memory. As we go from 16,384 cores to 262,144 cores on a Cray XC40 supercomputer, the new SpGEMM algorithm runs 10x faster when multiplying large-scale protein-similarity matrices.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

PlantSegNet: 3D point cloud instance segmentation of nearby plant organs with identical semantics

In this study, we introduce PlantSegNet, a novel neural network model for instance segmentation of nearby objects with similar geometric structures. Our work addresses the challenges of instance segmentation of plant point clouds, including the difficulty of annotating and labeling point clouds, the loss of local structural information in neural network components, and the generation of large numbers of incorrect small clusters due to poor choices of the loss function. One of the key contributions of our approach is a digital twin of sorghum, i.e., a procedural sorghum model, which was used to generate point clouds of sorghum fields. This allowed us to create a large-scale, annotated, synthetic dataset of sorghum plants that we used to train our PlantSegNet model. We demonstrated the effectiveness of our method in segmenting instances of sorghum leaves grown in outdoor field settings. To the best of our knowledge, this is the first study to address this specific instance segmentation problem for plants grown in such a setting. We compared our proposed method with other state-of-the-art methods for indoor settings, including SGPN and TreePartNet, on both synthetic and real data. Furthermore, our results show that PlantSegNet outperforms these methods regarding accuracy, robustness, and efficiency.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Implementing a neural network interatomic model with performance portability for emerging exascale architectures

The two main thrusts of computational science are increasingly accurate predictions and faster calculations; to this end, the zeitgeist in molecular dynamics (MD) simulations is pursuing machine learned and data driven interatomic models, e.g. neural network potentials, and novel hardware architectures, e.g. GPUs. Current implementations of neural network potentials are orders of magnitude slower than traditional interatomic models and while looming exascale computing offers the ability to run large, accurate simulations with these models, achieving portable performance for MD with new and varied exascale hardware requires rethinking traditional algorithms, using novel data structures, and library solutions. We re-implement a neural network interatomic model in CabanaMD, an MD proxy application, built on libraries developed for performance portability. Our implementation shows significantly improved thread scaling in this complex kernel as compared to a current LAMMPS implementation, across both strong and weak scaling. Our single-source solution enables simulations up to 20 million atoms on a single CPU node and 4 million atoms with improved performance on a single GPU. Furthermore, we also explore parallelism and data layout choices (using flexible data structures called AoSoAs) and their effect on performance, seeing up to ~50% and ~5% improvements in performance on a GPU by choosing the right level of parallelism and data layout respectively.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Seasonal and Morphological Controls on Nitrate Retention in Arctic Deltas

Abstract Estimates of nitrate loading to the Arctic Ocean are limited by the lack of field observations within deltas partly due to logistical constraints. To overcome this limitation, we use a remote sensing framework to estimate retention of nitrate in Arctic deltas. We achieve this by coupling hydrological and biogeochemical process models at the network scale for five major Arctic deltas. Binary masks of delta channels were used to simulate flow direction and magnitude through networks. Models were parameterized using historical and seasonal observations. Simulated nitrate retention ranged from 2.9% to 15% of the incoming load. Retention rates were largest during winter but smallest during spring conditions when increased discharges export large nitrate masses to the coast. Under future climate scenarios, retention rates fall by ∼1%–10%. Arctic deltas have an important effect on the magnitude of nitrate entering Arctic seas and the inclusion of processing in deltas can improve flux estimates.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Floods and Heavy Precipitation at the Global Scale: 100‐Year Analysis and 180‐Year Reconstruction

Floods and heavy precipitation have disruptive impacts worldwide, but their historical variability remains only partially understood at the global scale. This article aims at reducing this knowledge gap by jointly analyzing seasonal maxima of streamflow and precipitation at more than 3,000 stations over a 100‐year period. The analysis is based on Hidden Climate Indices (HCIs). Like standard climate indices (e.g., Nino 3.4, NAO), HCIs are used as covariates explaining the temporal variability of data, but unlike them, HCIs are estimated from the data. In this work, a distinction is made between common HCIs, that affect both heavy precipitation and floods, and specific HCIs, that exclusively affect one or the other. Overall, HCIs do not show noticeable autocorrelation, but some are affected by noticeable trends. In particular, strong and wide‐ranging trends are identified in precipitation‐specific HCIs, while trends affecting flood‐specific HCIs are weaker and have more localized effects. A probabilistic model is then derived to link HCIs and large‐scale atmospheric variables (pressure, wind, temperature) and to reconstruct HCIs since 1836 using the 20CRv3 reanalysis. In turn this allows estimating the probability of occurrence of floods and heavy precipitation at the global scale. This 180‐year reconstruction highlights flood hot‐spots and hot‐moments in the distant past, well before the establishment of perennial monitoring networks. Finally, the approach presented in this study is generic and paves the way for an improved characterization of historical variability by making a better use of long but highly irregular station data sets.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1984

Estimation of electric fields and current from ground-based magnetometer data

Recent advances in numerical algorithms for estimating ionospheric electric fields and currents from groundbased magnetometer data are reviewed and evaluated. Tests of the adequacy of one such algorithm in reproducing large-scale patterns of electrodynamic parameters in the high-latitude ionosphere have yielded generally positive results, at least for some simple cases. Some encouraging advances in producing realistic conductivity models, which are a critical input, are pointed out. When the algorithms are applied to extensive data sets, such as the ones from meridian chain magnetometer networks during the IMS, together with refined conductivity models, unique information on instantaneous electric field and current patterns can be obtained. Examples of electric potentials, ionospheric currents, field-aligned currents, and Joule heating distributions derived from ground magnetic data are presented. Possible directions for future improvements are also pointed out.

Kamide, Y.↗
NASA NTRS1993

Performance of the engineering analysis and data system 2 common file system

The Engineering Analysis and Data System (EADS) was used from April 1986 to July 1993 to support large scale scientific and engineering computation (e.g. computational fluid dynamics) at Marshall Space Flight Center. The need for an updated system resulted in a RFP in June 1991, after which a contract was awarded to Cray Grumman. EADS II was installed in February 1993, and by July 1993 most users were migrated. EADS II is a network of heterogeneous computer systems supporting scientific and engineering applications. The Common File System (CFS) is a key component of this system. The CFS provides a seamless, integrated environment to the users of EADS II including both disk and tape storage. UniTree software is used to implement this hierarchical storage management system. The performance of the CFS suffered during the early months of the production system. Several of the performance problems were traced to software bugs which have been corrected. Other problems were associated with hardware. However, the use of NFS in UniTree UCFM software limits the performance of the system. The performance issues related to the CFS have led to a need to develop a greater understanding of the CFS organization. This paper will first describe the EADS II with emphasis on the CFS. Then, a discussion of mass storage systems will be presented, and methods of measuring the performance of the Common File System will be outlined. Finally, areas for further study will be identified and conclusions will be drawn.

Debrunner, Linda S.↗
NASA NTRS2013

The Utility of the Real-Time NASA Land Information System Data for Drought Monitoring Applications

Measurements of soil moisture are a crucial component for the proper monitoring of drought conditions. The large spatial variability of soil moisture complicates the problem. Unfortunately, in situ soil moisture observing networks typically consist of sparse point observations, and conventional numerical model analyses of soil moisture used to diagnose drought are of coarse spatial resolution. Decision support systems such as the U.S. Drought Monitor contain drought impact resolution on sub-county scales, which may not be supported by the existing soil moisture networks or analyses. The NASA Land Information System, which is run with 3 km grid spacing over the eastern United States, has demonstrated utility for monitoring soil moisture. Some of the more useful output fields from the Land Information System are volumetric soil moisture in the 0-10 cm and 40-100 cm layers, column-integrated relative soil moisture, and the real-time green vegetation fraction derived from MODIS (Moderate Resolution Imaging Spectroradiometer) swath data that are run within the Land Information System in place of the monthly climatological vegetation fraction. While these and other variables have primarily been used in local weather models and other operational forecasting applications at National Weather Service offices, the use of the Land Information System for drought monitoring has demonstrated utility for feedback to the Drought Monitor. Output from the Land Information System is currently being used at NWS Huntsville to assess soil moisture, and to provide input to the Drought Monitor. Since feedback to the Drought Monitor takes place on a weekly basis, weekly difference plots of column-integrated relative soil moisture are being produced by the NASA Short-term Prediction Research and Transition Center and analyzed to facilitate the process. In addition to the Drought Monitor, these data are used to assess drought conditions for monthly feedback to the Alabama Drought Monitoring and Impact Group and the Tennessee Drought Task Force, which are comprised of federal, state, and local agencies and other water resources professionals.

White, Kristopher D.↗
DOE OSTI2025

A generalizable machine learning-assisted fast Fourier transform algorithm to simulate the large strain phenomena in polycrystalline materials

Machine learning methods have shown initial promise in constitutive modeling for single crystals or homogenized polycrystals, delivering notable computational efficiency. However, existing machine learning-based constitutive models often lack generalizability, limiting their application across diverse boundary value problems. This study introduces a thermodynamics-informed artificial neural network model to accelerate rate-tangent crystal plasticity fast Fourier transform simulations for cross-scale deformation behaviors of polycrystals under complex loading. Our model integrates microstructural variability and local interactions effectively. To address local effects in each grain, we employ K-means clustering to group Gauss points within the microstructure into clusters assumed to be in similar mechanical states. This approach, based on self-clustering analysis, extends model scope from macroscopic stress response to the granular level, capturing mechanical responses and orientation evolution across grains. This reduces the number of nonlinear problems to solve, with cluster responses propagated throughout each group. The thermodynamics-based artificial neural network-extracted features are further processed using local material state clusters to account for history-dependent deformation and evolving microstructures. Additionally, representative volume element simulations with rate-tangent crystal plasticity fast Fourier transform provide reliable datasets for model training. The proposed model demonstrates high efficiency, accuracy, self-consistency, and enhanced generalizability in predicting strain–stress responses and orientation evolution at both individual grain and aggregate scales under complex loading conditions, such as biaxial tension and arbitrary loading scenarios.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Large-Scale Hydrogen Storage Cyber Risk Assessment

Hydrogen storage systems may become more widely deployed throughout the country, and so it is possible that individual and interconnected systems will be exposed to cyber-attacks. These events can cause physical and financial harm to employees, people in the vicinity of the facility, and the company that owns the facility. The two main ways bad actors may access information or control from a hydrogen storage facility are through information technology and operations technology devices, the former of which refers to data and information from networked devices and the latter of which refers to onsite controls for the physical system. Both types of entryways into the system should be considered when companies conduct cyber risk assessments and when regulators develop or revise relevant codes and standards. This report analyzes cybersecurity risks associated with a generic hydrogen storage system by outlining the system's purpose and the importance of its cybersecurity. The hydrogen storage system architecture and communication protocols are provided to understand potential cyber vulnerabilities. Later, an event tree analysis is performed on hydrogen operation to identify system weaknesses by outlining potential attack scenarios. This report also identifies critical cyber assets related to different hydrogen operations followed by an examination of potential threats, and the impact of cyber assets on those operational assets.

08 HYDROGEN↗
DOE OSTI2024

Real-time dynamics of the Schwinger model as an open quantum system with Neural Density Operators

Ab-initio simulations of multiple heavy quarks propagating in a Quark-Gluon Plasma are computationally difficult to perform due to the large dimension of the space of density matrices. This work develops machine learning algorithms to overcome this difficulty by approximating exact quantum states with neural network parametrisations, specifically Neural Density Operators. As a proof of principle demonstration in a QCD-like theory, the approach is applied to solve the Lindblad master equation in the 1 + 1d lattice Schwinger Model as an open quantum system. Neural Density Operators enable the study of in-medium dynamics on large lattice volumes, where multiple-string interactions and their effects on string-breaking and recombination phenomena can be studied. Thermal properties of the system at equilibrium can also be probed with these methods by variationally constructing the steady state of the Lindblad master equation. Scaling of this approach with system size is studied, and numerical demonstrations on up to 32 spatial lattice sites and with up to 3 interacting strings are performed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

A Hybrid-Learning Algorithm for Online Dynamic State Estimation in Multimachine Power Systems

With the increasing penetration of distributed generators in the smart grids, having knowledge of rapid real-time electromechanical dynamic states has become crucial to system stability control. Conventional Supervisory Control and Data Acquisition (SCADA)-based dynamic state estimation (DSE) techniques are limited by the slow sampling rates, while the emerging phasor measurement units (PMUs) technology enables rapid real-time measurements at network nodes. Using generator bus terminal voltages, we propose a hybrid-learning DSE (HL-DSE) algorithm to estimate the synchronous machine rotor angle and speed in real time. The HL-DSE takes the power system model into account and trains neuroestimators with real-time data in an online manner. Compared with traditional DSE methods, the HL-DSE overcomes limitations by using a data-driven approach in conjunction with the physical power system model. The time efficiency, accuracy, convergence, and robustness of the proposed algorithm are tested under noises and fault conditions in both small- and large-scale test systems. Simulation results show that the proposed HL-DSE is much more computationally efficient than widely used Kalman filter (KF)-based methods while maintaining comparable accuracy and robustness. In particular, HL-DSE is over 100 times faster than square-root unscented KF (SR-UKF) and 80 times faster than extended KF (EKF). The advantages and challenges of the HL-DSE are also discussed.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

Smart-DS: Synthetic Models for Advanced, Realistic Testing: Distribution Systems and Scenarios

The explosion of new ideas for distributed energy resources and advanced distribution grid algorithms faces a critical challenge: how can one effectively develop and evaluate these breakthrough technologies without an adequate set of power systems network, load, and resource data to test against? Today's open test systems, particularly for distribution systems, are tiny and incomplete; and though with enough effort, obtaining utility data under NDA can overcome scale challenges, the results can't be openly shared, preventing fair comparison. The Smart-DS project-led by NREL in partnership with MIT, Universidad Pontificia Comillas, CYME, and EDD-is working to overcome this gap by generating multiple large-scale, open, synthetic, distribution systems that are realistic but not real. These datasets go beyond a single medium voltage feeder (~1000 customers) to cover entire metropolitan areas and their surrounds with up to hundreds of feeders and millions of customers, complete with low voltage customer connections and high voltage sub-transmission. This scale allows adequate testing and analysis of not just local controls and advanced DERs, but also multiple substation interactions, optimized switching, full-scale distribution-OPF, and more. To accompany these datasets, the project is also building a rich set of scenario generation tools that can be used for distribution and transmission systems alike. This includes automated, spatially aware access to world-class, high-resolution solar, wind, and weather data: forward looking generation mixes: and highly configurable DER, load, climate, outage, control-scheme, and other scenarios. We will also highlight DiTTo, an exciting open-source, multi-way distribution dataset transformation tool for many-to-many format translation with scenario, merge/split, and many other manipulation capabilities.

DERs↗
DOE OSTI2023

Building thermal dynamics modeling with deep transfer learning using a large residential smart thermostat dataset

Understanding thermal dynamics and obtaining the computational model of residential buildings enable its scaled application in energy retrofits, control optimization and decarbonization. In this paper, we present a deep learning approach to model building thermal dynamics with smart thermostat data collected from residential buildings, with the goal to investigate model generalizability. In the first stage, we developed and compared different Deep Learning architectures including Convolutional Neural Networks (CNN), Long Short-Term Memory (LSTM) models and CNN-LSTM to predict indoor air temperature in a multi-step time horizon. In the second stage, we implemented a Transfer Learning (TL) process, which aims to improve the prediction performance on a new set of buildings (targets), exploiting the knowledge of related or similar buildings (sources). Different TL strategies and source model identification methods were investigated. The study showed that the CNN-LSTM performed the best among the architectures compared, with an average Mean Absolute Error (MAE) of 0.26 °C for one-hour-ahead (twelve 5-min future steps) predictions. Furthermore, the results showed that freezing the LSTM layer and fine-tuning the other layers of the CNN-LSTM achieved the best performance among four TL strategies, which further improved the performance with respect to a machine learning approach by 10%, and proving the effectiveness and generalizability of the proposed approach. A comparison of three different source model identification methods showed that randomly selecting source models constrained by similar building characteristics can provide good TL performance while retaining simplicity comparing with other quantitative source identification methods.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Coherent correlation imaging for resolving fluctuating states of matter

Fluctuations and stochastic transitions are ubiquitous in nanometre-scale systems, especially in the presence of disorder. However, their direct observation has so far been impeded by a seemingly fundamental, signal-limited compromise between spatial and temporal resolution. Here we develop coherent correlation imaging (CCI) to overcome this dilemma. Our method begins by classifying recorded camera frames in Fourier space. Contrast and spatial resolution emerge by averaging selectively over same-state frames. Temporal resolution down to the acquisition time of a single frame arises independently from an exceptionally low misclassification rate, which we achieve by combining a correlation-based similarity metric with a modified, iterative hierarchical clustering algorithm. We apply CCI to study previously inaccessible magnetic fluctuations in a highly degenerate magnetic stripe domain state with nanometre-scale resolution. We uncover an intricate network of transitions between more than 30 discrete states. Our spatiotemporal data enable us to reconstruct the pinning energy landscape and to thereby explain the dynamics observed on a microscopic level. CCI massively expands the potential of emerging high-coherence X-ray sources and paves the way for addressing large fundamental questions such as the contribution of pinning and topology in phase transitions and the role of spin and charge order fluctuations in high-temperature superconductivity.

36 MATERIALS SCIENCE↗
DOE OSTI2020

In situ compression artifact removal in scientific data using deep transfer learning and experience replay

The massive amount of data produced during simulation on high-performance computers has grown exponentially over the past decade, exacerbating the need for streaming compression and decompression methods for efficient storage and transfer of this data---key to realizing the full potential of large-scale computational science. Lossy compression approaches such as JPEG when applied to scientific simulation data realized as a stream of images can achieve good compression rates but at the cost of introducing compression artifacts and loss of information. This paper develops a unified framework for in situ compression artifact removal in which the fully convolutional neural network architectures are combined with scalable training, transfer learning, and experience replay to achieve superior accuracy and efficiency while significantly decreasing the storage footprint as compared with the traditional optimization-based approaches. We demonstrate the proposed approach and compare it with compressed sensing postprocessing and other baseline deep learning models using climate simulations and nuclear reactor simulations, both of which are driven by hyperbolic partial differential equations. Our approach when applied to remove the compression artifacts on the JPEG-compressed nuclear reactor simulation data (using a transfer-trained model that was pretrained on the climate simulation data and updated incrementally as the nuclear reactor simulation progressed), achieved a significant improvement---mean peak signal-to-noise ratio of 42.438 as compared with 27.725 obtained with the compressed sensing approach.

97 MATHEMATICS AND COMPUTING↗