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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 235 records · Page 13

ROBIN (RuciO/BIgData Express/SENSE) A Next-Generation High-Performance Data Service Platform

Increasingly, scientific research discoverydepends on the analysis of extremely large amounts of data. Thisdata is gathered through very large scientific instruments, verylarge numbers of small devices, and mid-scale instruments.These devices generate exponentially increasing volumes of data.Such data is often obtained, analyzed, stored, visualized, andtransferred at and among sites world-wide by largecollaborations of science communities. Managing and movingextremely large volumes of data across today’s networks is aspecial multidimensional challenge. Also, existing datamanagement and movement services and tools often areinadequate to address all specific requirements. This paperdescribes the various components of this challenge and howthose issues can be addressed by ROBIN, a uniquecomprehensive set of integrated services designed specificallyfor managing and moving extremely large amounts of data overlong distances, e.g., thousands of miles around the globe. Thispaper also describes the results of initial experiments using thatset of integrated services.

Wu, Wenji↗

Learning Optimal Power Flow Solutions using Linearized Models in Power Distribution Systems

Solving nonlinear optimal power flow (OPF) problem is computationally expensive, and poses scalability challenges for power distribution networks. An alternative to solving the original nonlinear OPF is the linear approximated OPF models. Although, these linear approximated OPF models are fast, the resulting solutions may result in significant optimality gap. Lately, the application of machine learning (ML) methods in successfully solving the nonlinear OPF has been reported. These methods learn and estimate the nonlinear control policies using a purely data-driven approach. In this paper, we propose an approach to complements the ML based approach to solving OPF using solutions from known linearized OPF model. Specifically, we use supervised learning to map the solutions of linear OPF to nonlinear control variables. Unlike, the traditional ML based methods for OPF that approximate the full distribution feeder model using function approximation, our approach uses a two-node approximation of radial networks. The proposed approach is validated using IEEE 123 bus test system for OPF solutions obtained using the nonlinear OPF models.

optimal power flow, power distribution systems, su↗

Lossy Compression: An Online Multi-Stage Technology for High-Fidelity Synchro- Waveform Measurements

Effective real-time monitoring and analysis of distributed grids necessitate the use of synchro-waveform measurements, which capture almost all high-frequency disturbances and transient phenomena. However, due to limitations in high-speed measurements and network bandwidth, it is challenging to transfer all high-fidelity synchro-waveforms losslessly and successfully. To cope with these challenges, a hybrid-based online multi-stage compression algorithm is proposed to significantly improve the compression efficiency for synchro-waveform measurements. Initially, the multiple discrete Wavelet transformation is deployed to deconstruct the waveform components. The delta encoding is further developed to decrease the magnitude. In conjunction with the Lempel-Ziv-Markov chain, the hybrid compression algorithm is implemented to achieve real-time compression for the synchro-waveform measurements. Moreover, an innovative error index that synergizes the time and frequency domain error and correlation is formulated to evaluate the waveform distortion. By integrating compression ratio, suitable parameters can be optimally selected. Finally, the simulation, laboratory experiments, as well as field tests across a spectrum of sampling frequencies and time intervals are conducted to substantiate the efficacy of the proposed method. Here, the outcomes demonstrated that a compression ratio of approximately 15.5 and 17.83 can be reached for 0.5 s and 1 s data under both offline and online scenarios, which equates to a substantial 93.5% to 94.39% reduction in data storage requirements.

High-fidelity synchro-waveform measurements↗

Tournament-Based Pretraining to Accelerate Federated Learning

Advances in hardware, proliferation of compute at the edge, and data creation at unprecedented scales have made federated learning (FL) necessary for the next leap forward in pervasive machine learning. For privacy and network reasons, large volumes of data remain stranded on endpoints located in geographically austere (or at least austere network-wise) locations. However, challenges exist to the effective use of these data. To solve the system and functional level challenges, we present an three novel variants of a serverless federated learning framework. We also present tournament-based pretraining, which we demonstrate significantly improves model performance in some experiments. Overall, these extensions to FL and our novel training method enable greater focus on science rather than ML development.

Baughman, Matt↗

nnopf

SAND2026-19433O The nnopf tool addresses the optimal power flow (OPF) problem by optimizing electricity delivery from generating plants to consumers. At the same time, it minimizes costs and adheres to power grid constraints. While traditional methods for solving OPF can be computationally intensive, the tool mitigates this challenge by training neural networks on power grids to predict optimal solutions for the OPF problem. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-NA0003525.

Hart, William [Sandia National Lab. (SNL-CA), Live↗

Hybrid (PDE+ML) models in the context of land ice modeling

Focal Area(s): Primary focal areas are: predictive modeling through the use of AI-derived model components; advanced methods including network design/optimization/deep learning. Science Challenge: The atmospheric, ocean and ice dynamics components of the Energy Exascale Earth System Model (E3SM) are governed by Partial Differential Equations (PDEs) and significant efforts have been made during the last decades to develop such computational models. Here we propose to fundamentally improve these PDE-based codes by enhancing them with Machine Learning (ML) sub-models for complex, poorly understood physical processes in the context of ice sheet modeling. We propose to train these models with a novel approach that allows the assimilation of the different sources of data available (direct/indirect observations and possibly simulation data), improving on existing simplified models. We also highlight computational challenges originating from the coexistence of PDE-based and ML-based models.

54 ENVIRONMENTAL SCIENCES↗

ExaSGD: 2022 Kernel Thrust Activities

The Kernel Thrust milestone ADSE22-407 covers the development of device-capable optimization algorithms and solvers technologies required by the ExaSGD project’s software stack in order to solve security-constrained alternating current optimal power flow (SC-ACOPF) problems on emerging exascale architectures. To this extent, in FY22 the main objective of the Kernel Thrust was (i) provide sparse optimization solver that runs efficiently on hardware accelerator devices (i.e., NVIDIA and AMD GPUs) to perform intra-node computations, (ii) strengthen the reliability and increase the performance of the mixed-dense sparse (MDS) solver of HiOp for deployment on the FY22 target architectures, Summit and Crusher, and (iii) increase performance by improving the mathematical algorithm and refining the parallel MPI-based implementation of the coarse-grain parallel solver HiOp-PriDec for capabilities deployment on the FY22 target architectures, Summit and Crusher. This document presents the developments and contributions done by the Kernels Thrust Team in FY22 toward completion of the above-mentioned objectives. These contributions progressed along four main development (sub)thrusts: (1) Design and implementation of a sparse optimization solver for use on hardware accelerators; (2) Improvement of the mathematical algorithm and of the parallel implementation of HiOp-PriDec to ensure readiness and efficient coarse-grain parallelism for FY23 target exascale machine; and (3) Support Software and Application Development Thrusts of the exaSGD project in their deployment of the project’s software stack on AMD- and NVIDIA-based architectures. The development of the sparse optimization solver (thrust 1 above) was new in FY22 and resulted in a new sparse solver in HiOp (available as of version 0.6). The second development thrust was a continuation of the efforts from FY21 and improved the mathematical algorithm and the communication strategy of the HiOp-PriDec solver. The last developement thrust is a large collaborative effort. Namely, the project’s teams from multiple labs (LLNL, PNNL, ORNL, and NREL) performed large-scale demonstration of the ExaSGD software stack, namely the optimization solvers of HiOp interfaced with the modeling front-end ExaGO and the stochastic sampler PowerScenarios. These demonstration efforts solved large-scale instances of the SC-ACOPF challenge problem of medium network sizes (10, 000-bus system) and large number of contingencies on Summit (NVIDIA accelerators) and Crusher (AMD accelerators) systems at ORNL.

97 MATHEMATICS AND COMPUTING↗

Ensuring reliable connectivity to cellular-connected UAVs with up-tilted antennas and interference coordination

To integrate unmanned aerial vehicles (UAVs) in future large-scale deployments, a new wireless communication paradigm, namely, the cellular-connected UAV has recently attracted interest. However, the line-of-sight dominant air-to-ground channels along with the antenna pattern of the cellular ground base stations (GBSs) introduce critical interference issues in cellular-connected UAV communications. In particular, the complex antenna pattern and the ground reflection (GR) from the down-tilted antennas create both coverage holes and patchy coverage for the UAVs in the sky, which leads to unreliable connectivity from the underlying cellular network. To overcome these challenges, in this paper, we propose a new cellular architecture that employs an extra set of co-channel antennas oriented towards the sky to support UAVs on top of the existing down-tilted antennas for ground user equipment (GUE). To model the GR stemming from the down-tilted antennas, we propose a path-loss model, which takes both antenna radiation pattern and configuration into account. Next, we formulate an optimization problem to maximize the minimum signal-to-interference ratio (SIR) of the UAVs by tuning the up-tilt (UT) angles of the up-tilted antennas. Since this is an NP-hard problem, we propose a genetic algorithm (GA) based heuristic method to optimize the UT angles of these antennas. After obtaining the optimal UT angles, we integrate the 3GPP Release-10 specified enhanced inter-cell interference coordination (eICIC) to reduce the interference stemming from the down-tilted antennas. Our simulation results based on the hexagonal cell layout show that the proposed interference mitigation method can ensure higher minimum SIRs for the UAVs over baseline methods while creating minimal impact on the SIR of GUEs.

3GPP↗

Architecture for Survivable System Processing (ASSP)

The Architecture for Survivable System Processing (ASSP) Program is a multi-phase effort to implement Department of Defense (DOD) and commercially developed high-tech hardware, software, and architectures for reliable space avionics and ground based systems. System configuration options provide processing capabilities to address Time Dependent Processing (TDP), Object Dependent Processing (ODP), and Mission Dependent Processing (MDP) requirements through Open System Architecture (OSA) alternatives that allow for the enhancement, incorporation, and capitalization of a broad range of development assets. High technology developments in hardware, software, and networking models, address technology challenges of long processor life times, fault tolerance, reliability, throughput, memories, radiation hardening, size, weight, power (SWAP) and security. Hardware and software design, development, and implementation focus on the interconnectivity/interoperability of an open system architecture and is being developed to apply new technology into practical OSA components. To insure for widely acceptable architecture capable of interfacing with various commercial and military components, this program provides for regular interactions with standardization working groups (e.g.) the International Standards Organization (ISO), American National Standards Institute (ANSI), Society of Automotive Engineers (SAE), and Institute of Electrical and Electronic Engineers (IEEE). Selection of a viable open architecture is based on the widely accepted standards that implement the ISO/OSI Reference Model.

Wood, Richard J.↗

Trace-Driven Debugging of Message Passing Programs

In this paper we report on features added to a parallel debugger to simplify the debugging of parallel message passing programs. These features include replay, setting consistent breakpoints based on interprocess event causality, a parallel undo operation, and communication supervision. These features all use trace information collected during the execution of the program being debugged. We used a number of different instrumentation techniques to collect traces. We also implemented trace displays using two different trace visualization systems. The implementation was tested on an SGI Power Challenge cluster and a network of SGI workstations.

Frumkin, Michael↗

Efficient File Sharing by Multicast - P2P Protocol Using Network Coding and Rank Based Peer Selection

In this work, we consider information dissemination and sharing in a distributed peer-to-peer (P2P highly dynamic communication network. In particular, we explore a network coding technique for transmission and a rank based peer selection method for network formation. The combined approach has been shown to improve information sharing and delivery to all users when considering the challenges imposed by the space network environments.

military↗

Preliminary report on applications of machine learning techniques to the Nevada play fairway analysis

We are applying machine learning (ML) techniques, including training set augmentation and artificial neural networks, to mitigate key challenges in the Nevada play fairway project. The study area includes ~85 active geothermal systems as potential training sites and >12 geologic, geophysical, and geochemical features. The main goal is to develop an algorithmic approach to identify new geothermal systems in the Great Basin region. Major objectives include: 1) integrate ML techniques into the geothermal community; 2) develop open community datasets, whereby all play fairway and ML datasets and algorithms are publicly released and available for modification by various user groups; 3) identify data acquisition targets with high value for future work; 4) identify new signatures to detect blind geothermal systems; and 5) foster new capabilities for characterizing subsurface temperature and permeability. Initially, ML techniques are being applied to the same play fairway datasets and workflow. ML will then be applied to both enhanced and additional datasets, with modification of the PFA workflow to incorporate the new datasets. Finally, ML will be applied to define new workflows using the enhanced and additional datasets. An algorithmic approach that empirically learns to estimate weights of influence for diverse parameters can potentially scale and perform better than the play fairway analysis. Initial work on this project has involved 1) evaluating potential positive and negative training sites, 2) transformation of datasets into formats suitable for ML, and 3) initial development and testing of ML techniques.

58 GEOSCIENCES↗

Hybrid polymer network for soluble-polysulfide-free lithium-sulfur battery

The present disclosure relates to a sulfur-based cathode material for lithium–sulfur (Li–S) batteries, and more particularly to a sulfurized hybrid polymer network. This invention addresses challenges associated with the dissolution of intermediate polysulfides during electrochemical cycling, which commonly result in rapid capacity fading and poor long-term stability in Li–S batteries.

Wang, Donghai [Pennsylvania State Univ., Universit↗

An Improved Method for Coupling Hydrodynamics with Astrophysical Reaction Networks

Reacting astrophysical flows can be challenging to model, because of the difficulty in accurately coupling hydrodynamics and reactions. This can be particularly acute during explosive burning or at high temperatures where nuclear statistical equilibrium is established. We develop a new approach, based on the ideas of spectral deferred corrections (SDC) coupling of explicit hydrodynamics and stiff reaction sources as an alternative to operator splitting, that is simpler than the more comprehensive SDC approach we demonstrated previously. We apply the new method to a double-detonation problem with a moderately sized astrophysical nuclear reaction network and explore the time step size and reaction network tolerances, to show that the simplified-SDC approach provides improved coupling with decreased computational expense compared to traditional Strang operator splitting. This is all done in the framework of the Castro hydrodynamics code, and all algorithm implementations are freely available.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

A Roadmap for Edge Computing Enabled Automated Multidimensional Transmission Electron Microscopy

The advent of modern, high-speed electron detectors has made the collection of multidimensional hyperspectral transmission electron microscopy datasets, such as 4D-STEM, a routine. However, many microscopists find such experiments daunting since analysis, collection, long-term storage, and networking of such datasets remain challenging. Some common issues are their large and unwieldy size that often are several gigabytes, non-standardized data analysis routines, and a lack of clarity about the computing and network resources needed to utilize the electron microscope. The existing computing and networking bottlenecks introduce significant penalties in each step of these experiments, and thus, real-time analysis-driven automated experimentation for multidimensional TEM is challenging. One solution is to integrate microscopy with edge computing, where moderately powerful computational hardware performs the preliminary analysis before handing off the heavier computation to high-performance computing (HPC) systems. In this work, we trace the roots of computation in modern electron microscopy, demonstrate deep learning experiments running on an edge system, and discuss the networking requirements for tying together microscopes, edge computers, and HPC systems.

47 OTHER INSTRUMENTATION↗

Inertia estimation for power grids: A review of methods, challenges, and future prospects

The electric power grid is undergoing a significant transformation, shifting from traditional synchronous generators to inverter-based resources (IBRs) such as solar photovoltaics, wind turbines, and energy storage systems. This evolution leads to a reduction in system inertia, a critical attribute for maintaining frequency stability in response to disturbances. Consequently, the ability to monitor and estimate system inertia has become increasingly essential. This paper provides a comprehensive review of existing inertia estimation methodologies, analyzing them from multiple perspectives, including the types of data utilized, underlying estimation principles, operational modes, and system-wide applicability. A comparative summary table is included to distill commonalities and key characteristics across various studies. In addition, the paper examines practical implementations of inertia estimation across several major power systems worldwide, including the U.S. interconnections, the Nordic power system, and the U.K. grid. Key challenges are identified, particularly in estimating contributions from virtual inertia sources and load-induced inertia in increasingly converter-dominated networks. To address these emerging challenges, the paper proposes an integrated framework for real-time inertia estimation and monitoring. This framework encompasses critical components such as data acquisition, inertia estimation from both synchronous and non-synchronous sources, load-induced effects, optimization techniques, forecasting, and virtual inertia scheduling. Collectively, these elements enable dynamic, system-wide monitoring and adaptive control of grid inertia.

Inertia estimation↗

Including Physics-Informed Atomization Constraints in Neural Networks for Reactive Chemistry

Machine learning interatomic potentials (MLIPs) have emerged as powerful tools for investigating atomistic systems with high accuracy and a relatively low computational cost. However, a common and unaddressed challenge with many current neural network (NN) MLIP models is their limited ability to accurately predict the relative energies of systems containing isolated or nearly isolated atoms, which appear in various reactive processes. To address this limitation, we present a mathematical technique for modifying any existing atom-centered NN architecture to account for the energies of isolated atoms. The result produces a consistent prediction of the atomization energy (AE) of a system using minimal constraints on the model. Using this technique, we build a model architecture that we call hierarchically interacting particle neural network (HIP-NN)-AE, an AE-constrained version of the HIP-NN, as well as ANI-AE, the AE-constrained version of the accurate NN engine for molecular energies (ANI). Our results demonstrate AE consistency of AE-constrained models, which drastically improves the AE predictions for the models. We compare the AE-constrained approach to unconstrained models as well as models from the literature in other scenarios, such as bond dissociation energies, bond dissociation pathways, and extensibility tests. These results show that the constraints improve the model performance in some of these tasks and do not negatively affect the performance on any tasks. The AE constraint approach thus offers a robust solution to the challenges posed by isolated atoms in energy prediction tasks.

74 ATOMIC AND MOLECULAR PHYSICS↗