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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 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Providing Experimental Infrastructure for Accelerating Advanced Reactor Demonstrations through the National Reactor Innovation Center

A suite of experimental infrastructure projects has been developed by the National Reactor Innovation Center to accelerate advanced reactor demonstrations and facilitate their development, addressing crucial gaps in data, materials characterization, and modeling. First, the Molten Salt Thermophysical Examination Capability (MSTEC) provides a specialized platform for post-irradiation characterization of molten salt reactor fuel, coolant salts, and structural materials, essential for supporting the design and operation of advanced reactors and future commercial molten salt reactor development and licensing. The Virtual Test Bed (VTB) complements these efforts by leveraging advanced modeling and simulation tools to evaluate reactor performance and safety. Serving as a library of reference models, the VTB offers a database of multiphysics reactor models, facilitating rapid safety evaluations and includes continuous software quality assurance, crucial for accelerating deployment while maintaining reliability. Additionally, the Helium Component Test Facility (HeCTF) addresses the need for high-temperature helium-cooled reactor component testing. As the first-of-its-kind facility in the United States, HeCTF emulates high-temperature gas reactor conditions, reducing time and cost associated with component validation, thereby accelerating reactor development. Finally, In-cell Thermal Creep Frames provide a unique solution for obtaining thermal creep data from irradiated materials, critical for materials qualification and licensing. Developed by the National Reactor Innovation Center, these compact frames enable the examination of previously irradiated materials, overcoming traditional limitations and enhancing the understanding of mechanical properties crucial for reactor development. Collectively, these experimental infrastructure projects form a comprehensive framework aimed at expediting advanced reactor demonstrations, fostering innovation, and ensuring the viability of next-generation nuclear energy solutions.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

Measurement and analysis of GPU-accelerated applications with HPCToolkit

To address the challenge of performance analysis on the US DOE’s forthcoming exascale supercomputers, Rice University has been extending its HPCToolkit performance tools to support measurement and analysis of GPU-accelerated applications. To help developers understand the performance of accelerated applications as a whole, HPCToolkit’s measurement and analysis tools attribute metrics to calling contexts that span both CPUs and GPUs. To measure GPU-accelerated applications efficiently, HPCToolkit employs a novel wait-free data structure to coordinate monitoring and attribution of GPU performance. To help developers understand the performance of complex GPU code generated from high-level programming models, HPCToolkit constructs sophisticated approximations of call path profiles for GPU computations. To support fine-grained analysis and tuning, HPCToolkit uses PC sampling and instrumentation to measure and attribute GPU performance metrics to source lines, loops, and inlined code. To supplement fine-grained measurements, HPCToolkit can measure GPU kernel executions using hardware performance counters. To provide a view of how an execution evolves over time, HPCToolkit can collect, analyze, and visualize call path traces within and across nodes. Finally, on NVIDIA GPUs, HPCToolkit can derive and attribute a collection of useful performance metrics based on measurements using GPU PC samples. Here, we illustrate HPCToolkit’s new capabilities for analyzing GPU-accelerated applications with several codes developed as part of the Exascale Computing Project.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Porting hypre to heterogeneous computer architectures: Strategies and experiences

We report that linear systems are occurring in many applications, and solving them can take a large amount of the total simulation time. The high performance library hypre provides a variety of interfaces and linear solvers, including various multigrid methods, that have achieved good scalability on a variety of homogeneous parallel computer architectures. Heterogeneous architectures with nodes that have both CPUs and accelerators provide new challenges, since they require more fine-grained parallelism and reduced data movement between different memories on a single node as well as across nodes. We will discuss our experiences and strategies to port hypre to heterogeneous computers with accelerators, including the design of a new memory model, the use of abstractions, the BoxLoop macros in the structured and semi-structured interfaces, and the restructuring of algebraic multigrid (AMG) into modular components. We present numerical experiments comparing CPU and GPU performance for several test problems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

EMT data generation

The integration of inverter-based resources (IBRs) in power systems is accelerating, bringing with it significant benefits such as reduced greenhouse gas emissions, improved grid resilience, and increased energy independence. Despite these advantages, the widespread adoption of IBRs introduces several challenges, including issues related to grid stability, increased operational complexity, and the need for updated regulatory frameworks. To address these challenges, IEEE released Standard 2800 in 2022, which sets forth the necessary interconnection capabilities and performance criteria for IBRs connected to transmission and sub-transmission systems. This standard outlines the performance requirements to ensure the reliable integration of IBRs into the bulk power system. Furthermore, in 2023, the North American Electric Reliability Corporation (NERC) published a reliability guideline for electromagnetic transient (EMT) modeling of BPS-connected IBRs. This guideline provides recommendations for developing EMT model requirements, performing model quality checks, and implementing verification practices specifically for EMT models representing BPS-connected inverter-based resources in reliability studies conducted by transmission planners and planning coordinators. These standards and guidelines have a profound impact on EMT studies for transmission networks, influencing system stability analyses, grid recovery and resynchronization processes, fault ride-through evaluations, protection and coordination strategies, advanced control methodologies, and the inclusion of IBRs in transient models of transmission networks. As a result, the generation of EMT data is crucial for conducting various transient-based studies to understand the impact of IBRs. EMT data generation use cases serve as the basis for scenarios in event detection and identification use cases, providing comprehensive details about EMT data generation for transmission grids with inverter-based resources. These use cases supply sufficient training and validation datasets for subsequent EMT analysis algorithms.

Xia, Qianxue↗
DOE OSTI2026

Irrigation Infrastructure and Modernization – Setting a Baseline: Estimates of Irrigation Water Conveyance Infrastructure Extents and Composition and the Potential Water, Energy, and Economic Benefits of Modernization in the Western U.S.

In the Western United States (U.S.), water delivery for irrigation is still largely managed using century-old equipment and designs. Modernization of this vital water conveyance infrastructure, such as piping of earthen canals, is known to improve water availability and water quality for farmers, while saving energy and enabling new hydropower. However, there is sparse information about the extent of irrigation water delivery infrastructure, which makes it challenging to estimate the cost of upgrades at scale and the potential benefits of accelerating modernization work. This report estimates a variety of previously unquantified data points related to irrigation water delivery infrastructure in the Western U.S. to support stakeholders interested in nationwide modernization planning. The findings should be considered approximations, useful for understanding the scale, range, or variability of these indicators. Taken together, the findings of this report illustrate some of the challenges and opportunities involved in modernizing the agricultural water delivery infrastructure in the Western U.S. Accelerating the pace of modernization could strengthen the long-term resilience of U.S. food systems while providing significant economic, energy, water, and environmental benefits.

13 HYDRO ENERGY↗
DOE OSTI2020

Real-time Intrusion Detection for High-bandwidth Research Networks using Unsupervised Deep Learning

Nowadays, data generated by large-scale scientific experiments are on the scale of petabytes per month. These data are transferred through dedicated high-bandwidth networks across distributed collaboration sites for processing, storage, and analysis. Like general purpose networks, research networks experience attacks. However, monitoring traffic in such high-bandwidth network environments is challenging with conventional deep packet inspection (DPI)- based network intrusion detection systems (NIDS). Recently, machine learning (ML) algorithms have shown potential in detecting anomalous patterns with better generalizability and faster speed. Compared to the general purpose networks, traffic movement in research network is less volatile and more likely to benefit from the ML-based anomaly analysis. We present ThunderSecure, an efficient AI-powered system for detecting anomalies in 100G research networks. ThunderSecure implements a high-throughput packet processing infrastructure using multi-cores and GPUs. It takes time-series statistics from a variety of network measurements and uses 2D Convolutional Neural Network (CNN) to explore both spatial and temporal dependencies in network data stream. Patterns of science data traffic are learned with a one-class neural network, which blends an Adversarial Autoencoder (AAE) with Gaussian mixture density estimation. Testing traffic flows exhibiting significant deviations from the learned baseline of normality are marked as anomalies. We trained ThunderSecure on hundreds of billions of science data packets recorded from a 100G research network at Fermi National Accelerator Laboratory. The detection performance was evaluated on traffic captured from the same research network days and weeks after the training with different types of attack flows injected. To the best of our knowledge, this is the first ML work in the area of network anomaly detection that has been validated on such extreme scale datasets. Results show that ThunderSecure can recognize science data traffic that are captured long after the training and make nearly certain detection on those with anomalous flows injected, even in the case when the anomaly-to-normal mixing ratio is 0.1%.

Gong, Qian↗
DOE OSTI2022

GCoD: Graph Convolutional Network Acceleration via Dedicated Algorithm and Accelerator Co-Design

Graph Convolutional Networks (GCNs) have emerged as the state-of-the-art graph learning model. However, it remains notoriously challenging to inference GCNs over large graph datasets, limiting their application to large real-world graphs and hindering the exploration of deeper and more sophisticated GCN graphs. This is because real-world graphs can be extremely large and sparse. Furthermore, the node degree of GCNs tends to follow the power-law distribution and therefore have highly irregular adjacency matrices, resulting in prohibitive inefficiencies in both data processing and movement and thus substantially limiting the achievable GCN acceleration efficiency. To this end, this paper proposes the first GCN algorithm and accelerator Co-Design framework dubbed GCoD which can largely alleviate the aforementioned GCN irregularity and boost GCNs' inference efficiency. Specifically, on the algorithm level, GCoD integrates a divide and conquer GCN training strategy that polarizes the graphs to be either denser or sparser in local neighborhoods without compromising the model accuracy, resulting in graph adjacency matrices that (mostly) have merely two levels of workload and enjoys largely enhanced regularity and thus ease of acceleration. On the hardware level, we further develop a dedicated two-pronged accelerator with a separated engine to process each of the aforementioned workloads, further boosting the overall utilization and acceleration efficiency. Extensive experiments and ablation studies validate that our GCoD consistently outperforms state-of-the-art designs in terms of accelerator efficiency while maintaining or even improving the task accuracy. Additionally, we visualize GCoD trained graph adjacency matrices to better understand its advantages. All codes and pre-trained models will be released upon acceptance.

You, Haoran↗
DOE OSTI2023

A GPU-Accelerated Population Generation, Sorting, and Mutation Kernel for an Optimization-Based Causal Inference Model

We develop a GPU-accelerated machine learning generative adversarial network model that can be used with observational data for the purpose of constructing causal inferences. The theoretical basis of our machine learning model is novel and is conceptualized to be operable and scalable for high performance computing platforms. Our GPU-accelerated code enables large-scale parallelization of the computation within a common and accessible computing environment. This will expand the reach of our model and empower research in new substantive domains while maintaining the underlying theoretical properties.

Cho, Wendy K. Tam↗
DOE OSTI2024

Dynamic mode decomposition of nonequilibrium electron-phonon dynamics: accelerating the first-principles real-time Boltzmann equation

Abstract Nonequilibrium dynamics governed by electron–phonon ( e -ph) interactions plays a key role in electronic devices and spectroscopies and is central to understanding electronic excitations in materials. The real-time Boltzmann transport equation (rt-BTE) with collision processes computed from first principles can describe the coupled dynamics of electrons and atomic vibrations (phonons). Yet, a bottleneck of these simulations is the calculation of e –ph scattering integrals on dense momentum grids at each time step. Here we show a data-driven approach based on dynamic mode decomposition (DMD) that can accelerate the time propagation of the rt-BTE and identify dominant electronic processes. We apply this approach to two case studies, high-field charge transport and ultrafast excited electron relaxation. In both cases, simulating only a short time window of ~10% of the dynamics suffices to predict the dynamics from initial excitation to steady state using DMD extrapolation. Analysis of the momentum-space modes extracted from DMD sheds light on the microscopic mechanisms governing electron relaxation to a steady state or equilibrium. The combination of accuracy and efficiency makes our DMD-based method a valuable tool for investigating ultrafast dynamics in a wide range of materials.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Three-dimensional magnetohydrodynamic modeling of auto-magnetizing liner implosions on the Z accelerator

Auto-magnetizing (AutoMag) liners are cylindrical tubes that employ helical current flow to produce strong internal axial magnetic fields prior to radial implosion on ~100 ns timescales. AutoMag liners have demonstrated strong uncompressed axial magnetic field production (>100 T) and remarkable implosion uniformity during experiments on the 20 MA Z accelerator. However, both axial field production and implosion morphology require further optimization to support the use of AutoMag targets in magnetized liner inertial fusion (MagLIF) experiments. Data from experiments studying the initiation and evolution of dielectric flashover in AutoMag targets on the Mykonos accelerator have enabled the advancement of magnetohydrodynamic (MHD) modeling protocols used to simulate AutoMag liner implosions. Implementing these protocols using ALEGRA has improved the comparison of simulations to radiographic data. Specifically, both the liner in-flight aspect ratio and the observed width of the encapsulant-filled helical gaps during implosion in ALEGRA simulations agree more closely with radiography data compared to previous GORGON simulations. Although simulations fail to precisely reproduce the measured internal axial magnetic field production, improved agreement with radiography data inspired the evaluation of potential design improvements with newly developed modeling protocols. Three-dimensional MHD simulation studies focused on improving AutoMag target designs, specifically seeking to optimize the axial magnetic field production and enhance the cylindrical implosion uniformity for MagLIF. Importantly, by eliminating the driver current prepulse and reducing the initial inter-helix gap widths in AutoMag liners, simulations indicate that the optimal 30–50 T range of precompressed axial magnetic field for MagLIF on Z can be accomplished concurrently with improved cylindrical implosion uniformity.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Identification of Intraday False Data Injection Attack on DER Dispatch Signals

The urgent need for the decarbonization of power grids has accelerated the integration of renewable energy. Concurrently, increasing distributed energy resources (DER) and advanced metering infrastructure (AMI) have transformed the power grids into a more sophisticated cyber-physical system with numerous communication devices. While these transitions provide economic and environmental value, they also impose increased risk of cyber attacks and operation al challenges. This paper investigates the vulnerabilit y of the power grids with high renewable penetration against an intraday false data injection (FDI) attack on DER dispatch signals and proposes a kernel support vector regression (SVR) based detection model as a countermeasure. The intraday FDI attack scenario and the detection model are demonstrated in a numerical experiment using the HCE 187-bus test system.

Kim, Jip↗
DOE OSTI2019

High-throughput fabrication and semi-automated characterization of oxide thin film transistors

High throughput experimental methods are known to accelerate the rate of research, development, and deployment of electronic materials. For example, thin films with lateral gradients in composition, thickness, or other parameters have been used alongside spatiallyresolved characterization to assess how various physical factors affect material properties under varying measurement conditions. Similarly, multi-layer electronic devices that contain such graded thin films as one or more of their layers can also be characterized spatially in order to optimize the performance. In this work, we apply these high throughput experimental methods to thin film transistors (TFTs), demonstrating combinatorial device fabrication and semiautomated characterization using sputtered oxide TFTs as a case study. Here, we show that both extrinsic and intrinsic types of device gradients can be generated in a TFT library, such as channel thickness and length, channel cation compositions, and oxygen atmosphere during deposition. We also present a semi-automated method to measure the 44 devices fabricated on a 50x50mm substrate that can help to identify properly functioning TFTs in the library and finish the measurement in a short time. Finally, we propose a fully automated characterization system for similar TFT libraries, which can be coupled with high throughput data analysis. These results demonstrate that high throughput methods can accelerate the investigation of TFTs and other electronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Laminography as a tool for imaging large-size samples with high resolution

Despite the increased brilliance of the new generation synchrotron sources, there is still a challenge with high-resolution scanning of very thick and absorbing samples, such as a whole mouse brain stained with heavy elements, and, extending further, brains of primates. Samples are typically cut into smaller parts, to ensure a sufficient X-ray transmission, and scanned separately. Compared with the standard tomography setup where the sample would be cut into many pillars, the laminographic geometry operates with slab-shaped sections significantly reducing the number of sample parts to be prepared, the cutting damage and data stitching problems. In this work, a laminography pipeline for imaging large samples (>1 cm) at micrometre resolution is presented. The implementation includes a low-cost instrument setup installed at the 2-BM micro-CT beamline of the Advanced Photon Source. Additionally, sample mounting, scanning techniques, data stitching procedures, a fast reconstruction algorithm with low computational complexity, and accelerated reconstruction on multi-GPU systems for processing large-scale datasets are presented. The applicability of the whole laminography pipeline was demonstrated by imaging four sequential slabs throughout an entire mouse brain sample stained with osmium, in total generating approximately 12 TB of raw data for reconstruction.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Deep learning of experimental electrochemistry for battery cathodes across diverse compositions

Artificial intelligence (AI) has emerged as a tool for discovering and optimizing novel battery materials. However, the adoption of AI in battery cathode representation and discovery is still limited due to the complexity of optimizing multiple performance properties and the scarcity of high-fidelity data. Here, we present a machine learning model (DRXNet) for battery informatics and demonstrate the application in the discovery and optimization of disordered rocksalt (DRX) cathode materials. We have compiled the electrochemistry data of DRX cathodes over the past 5 years, resulting in a dataset of more than 19,000 discharge voltage profiles on diverse chemistries spanning 14 different metal species. Learning from this extensive dataset, our DRXNet model can capture critical features in the cycling curves of DRX cathodes under various conditions. Our approach offers a data-driven solution to facilitate the rapid identification of novel cathode materials, accelerating the development of next-generation batteries for carbon neutralization.

25 ENERGY STORAGE↗
DOE OSTI2025

Updating Nuclear Energy Cost Estimates for Net Zero World Initiative

Energy modeling of decarbonized scenarios in integrated energy systems requires nuclear energy parameters that are critical for forecasting, modeling and cost structure analysis. Using updated real-world data has always been a challenge to estimate current nuclear reactors costs and deployment scenarios. Given this, an updated set of parameters for overnight capital costs and operation and maintenance costs are estimated for the Net Zero World initiative using recent reports that provided a vast set of open sources data inputs. This paper follows the methodology developed in the Net Zero World report and applies the new ranges estimated in the Gateway for Accelerated Innovation in Nuclear report that address many of the current challenges in obtaining accurate cost data for advanced nuclear concepts. The final goal is to provide new estimates of the overnight capital costs and operational costs for different countries. The present paper improves the earlier capital cost estimations, building on recent literature that aims to obtain accurate data for modeling and simulation to enhance energy system evaluations and support decision-making in areas like de-carbonization and capacity expansion. Finally, the paper compares the new cost estimates with the old cost results.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Application of BISON to UO 2 MiniFuel fission gas release analysis

There has been a recent push to accelerate fuel qualification by developing revolutionary capabilities to reduce irradiation periods, and thereby, reduce the time required to qualify a new fuel system. One such capability is the MiniFuel irradiation capsule designed to miniaturize fuel samples and irradiate “mini” fuel samples under isothermal temperature conditions. MiniFuel allows steady-state irradiations to decouple the traditionally coupled fission rate (i.e., power) and temperature parameters to understand and generate microstructures observed in fuel operated in a commercial reactor. Furthermore, this process offers the possibility to gather in situ data as well as postirradiation or transient data such as thermal conductivity, specific heat, fission gas diffusion and release, etc. However, accelerating fuel qualification is not solely reliant on generating large amounts of data but also on developing an informed test matrix designed to rapidly generate impactful data. Additionally, this process is reliant on fuel performance codes, such as BISON, to evaluate MiniFuel irradiations using existing material models. This process pinpoints model/data gaps, identifies desired irradiation conditions, and subsequently supports model validation and development. This work describes the use of BISON to perform a number of sensitivity studies designed to understand conditions that lead to fission gas release (FGR) under steady-state isothermal irradiation conditions and temperature transient conditions. The model is applied to a UO 2 MiniFuel example and shows an overall good qualitative agreement with experimental FGR annealing tests under different temperature conditions. It also accounts well for microstructural effects on FGR. When quantitatively compared with FGR data from previously irradiated 103 MWd/kgU UO 2 discs under thermal annealing, the model shows a less satisfactory agreement with the experimental data. Finally, a UO 2 MiniFuel test matrix is proposed to help to extend the model's operational range and validate the new FGR model capabilities to higher burnups and transient conditions.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Spatiotemporal Modeling of Real World Backsheets Field Survey Data: Hierarchical (Multilevel) Generalized Additive Models

Assessing photovoltaic module backsheet durability is critical to increasing module lifetime. Laboratory-based accelerating testing has recently failed to predict large scale failures of widely adopted polymeric materials. Additionally, there is a growing concern on characterizing the non-uniformity of field exposure. Therefore, data from field surveys are critical to assess the performance of component lifetimes. Using a documented field survey protocol, 19 field surveys were conducted. The focus of this survey strategy is to investigate spatial continuity in degradation modes. By combining field survey data with real-time satellite weather data, stressor / response models have been trained. Generalized additive Models (GAM) model was created to predict the value of degradation based on measured predictors. Two different GAM constructions were testing using different implementations of basis splines. The model includes variables on the environmental stressors of the system and the location of each measurement in the PV mounting structure. The incorporation of hierarchical structure into the models allowed for material specific degradation rates, while maintaining the assumption of a global trend. The model performed well with an adjusted R2 of 0.975 for yellowness index prediction.

backsheet↗
DOE OSTI2022

Modeling Electron Acceleration and Transport in the Early Impulsive Phase of the 2017 September 10th Solar Flare

The X8.2-class limb flare on 2017 September 10 is among the best studied solar flare events owing to its great similarity to the standard flare model and the broad coverage by multiple spacecraft and ground-based observations. These multiwavelength observations indicate that electron acceleration and transport are efficient in the reconnection and flare looptop regions. However, there lacks a comprehensive model for explaining and interpreting the multi-faceted observations. In this work, we model the electron acceleration and transport in the early impulsive phase of this flare. We solve the Parker transport equation that includes the primary acceleration mechanism during magnetic reconnection in the large-scale flare region modeled by MHD simulations. We find that electrons are accelerated up to several MeV and fill a large volume of the reconnection region, similar to the observations shown in microwaves. The electron spatial distribution and spectral shape in the looptop region agree well with those derived from the microwave and hard X-ray emissions before magnetic islands grow large and dominate the acceleration. Future emission modelings using the electron maps will enable direct comparison with microwave and hard X-ray observations. These results shed new light on the electron acceleration and transport in a broad region of solar flares within a data-constrained realistic flare geometry.

79 ASTRONOMY AND ASTROPHYSICS↗