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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Choosing the best partition of the output from a large-scale simulation

Data partitioning becomes necessary when a large-scale simulation produces more data than can be feasibly stored. The goal is to partition the data, typically so that every element belongs to one and only one partition, and store summary information about the partition, either a representative value plus an estimate of the error or a distribution. Once the partitions are determined and the summary information stored, the raw data is discarded. This process can be performed in-situ; meaning while the simulation is running. When creating the partitions there are many decisions that researchers must make. For instance, how to determine once an adequate number of partitions have been created, how are the partitions created with respect to dividing the data, or how many variables should be considered simultaneously. In addition, decisions must be made for how to summarize the information within each partition. Because of the combinatorial number of possible ways to partition and summarize the data, a method of comparing the different possibilities will help guide researchers into choosing a good partitioning and summarization scheme for their application.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Development of a phonon-based sampling method for thermal neutron scattering data

Simulations of reactor systems require access to accurate nuclear data. For many systems, thermal neutron scattering data can have large effects on the eigenvalue and neutron flux distributions. Inelastic thermal neutron scattering can excite or de-excite vibrational, rotational, and translational modes in a material, so thermal scattering evaluations are often obtained by summing over the number of phonons created/destroyed by a scattering event. In recent years, the thermal scattering cross sections and angular distributions have greatly improved in accuracy, but the format in which this data is delivered to simulation codes has remained virtually unchanged. Thermal scattering data is typically either compiled into large tables and sorted by incoming neutron energy, outgoing neutron energy, scattering angle, and material temperature, or represented as cumulative distribution functions of momentum exchange or energy exchange. Either method can be quite memory intensive when fine bins are used. In an effort to decrease the amount of space that processed thermal scattering data requires, an alternate format is proposed. The phonon-based sampling method introduced here can sample the number of phonons excited for each collision, the change in neutron energy, and the scattering angle while avoiding pre-computed angular bins and limiting the amount of data that is dependent on incoming energy. Through this method, the generation and storage of large interpolation tables is avoided, which could have benefits in both memory storage and accuracy. While the initial implementation of this method is slower than current alternatives, it is significantly more resistant to grid coarseness errors and has good potential for improvement. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2018

Data Reduction Techniques for Simulation, Visualization and Data Analysis

Data reduction is increasingly being applied to scientific data for numerical simulations, scientific visualizations, and data analyses. It is most often used to lower I/O and storage costs, and sometimes to lower in-memory data size as well. With this work, we consider five categories of data reduction techniques based on their information loss: 1) truly lossless, 2) near lossless, 3) lossy, 4) mesh reduction, and 5) derived representations. We then survey available techniques in each of these categories, summarize their properties from a practical point of view, and discuss relative merits within a category. We believe, in total, this work will enable simulation scientists and visualization/data analysis scientists to decide which data reduction techniques will be most helpful for their needs.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Reduction of blob-filament radial propagation by parallel variation of flows: Analysis of a gyrokinetic simulation

Data from the XGC1 gyrokinetic simulation is analyzed to understand the three-dimensional spatial structure and the radial propagation of blob-filaments generated by quasisteady turbulence in the tokamak edge pedestal and scrape-off layer plasma. Spontaneous toroidal flows vary in the poloidal direction and shear the filaments within a flux surface resulting in a structure that varies in the parallel direction. Here, this parallel structure allows the curvature and grad-B induced polarization charge density to be shorted out via parallel electron motion. As a result, it is found that the blob-filament radial velocity is significantly reduced from estimates which neglect parallel electron kinetics, broadly consistent with experimental observations. Conditions for when this charge shorting effect tends to dominate blob dynamics are derived and compared with the simulation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Validation of the EDGES Low-band Antenna Beam Model

The response of the antenna is a source of uncertainty in measurements with the Experiment to Detect the Global Epoch of Reionization Signature (EDGES). We aim to validate the electromagnetic beam model of the low-band (50–100 MHz) dipole antenna with comparisons between models and against data. We find that simulations of a simplified model of the antenna over an infinite perfectly conducting ground plane are, with one exception, robust to changes in the numerical electromagnetic solver code or algorithm. For simulations of the antenna with the actual finite ground plane and realistic soil properties, we find that two out of three numerical solvers agree well. Applying our analysis pipeline to a simulated drift-scan observation from an early EDGES low-band instrument that had a 10 m × 10 m ground plane, we find residual levels after fitting and removing a five-term foreground model from the simulated data binned in local sidereal time (LST) average about 250 mK with ±40 mK variation between numerical solvers. A similar analysis of the primary 30 m × 30 m sawtooth ground plane reduced the LST-averaged residuals to about 90 mK with ±10 mK between the two viable solvers. More broadly we show that larger ground planes generally perform better than smaller ground planes. Simulated data have a power that is within 4% of real observations, a limitation of net accuracy of the sky and beam models. We observe that residual spectral structures after foreground model fits match qualitatively between simulated data and observations, suggesting that the frequency dependence of the beam is reasonably represented by the models. We find that a soil conductivity of 0.02 S m{sup -1} and relative permittivity of 3.5 yield good agreement between simulated spectra and observations. This is consistent with the soil properties reported by Sutinjo et al. for the Murchison Radio-astronomy Observatory, where EDGES is located.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Simulation of magnetic island dynamics under resonant magnetic perturbation with the TEAR code and validation of the results on T-10 tokamak data

Simulation of the magnetic island evolution under Resonant Magnetic Perturbation (RMP) in rotating T-10 tokamak plasma is presented with intent of TEAR code experimental validation. In the T-10 experiment chosen for simulation, the RMP consists of a stationary error field, a magnetic field of the eddy current in the resistive vacuum vessel and magnetic field of the externally applied controlled halo current in the plasma scrape-off layer (SOL). The halo-current loop consists of a rail limiter, plasma SOL, vacuum vessel, and external part of the circuit. Effects of plasma resistivity, viscosity, and RMP are taken into account in the TEAR code based on the two-fluid MHD approximation. Radial distribution of the magnetic flux perturbation is calculated with account of the externally applied RMP. A good agreement is obtained between the simulation results and experimental data for the cases of preprogrammed and feedback-controlled halo current in the plasma SOL.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

MPEX AI Digital Twins

All magnetically confined plasma fusion power plant concepts (Tokamak, Spherical Tokamak, Stellarator, Mirror, ...) must exhaust the heat and plasma from the core confinement region to the material walls. The primary channel for this exhaust is through a plasma divertor which directs plasma along open magnetic field lines to a material target. The Material Plasma Exposure eXperiment (MPEX) illustrated in Figure 1, is a high-power, steady-state linear plasma device designed to produce the plasma material interaction (PMI) conditions of the divertor of future magnetic confinement fusion power plants: energy flux 20MW/m 2 , ion fluence 1031/m 2 , pulse duration 106 sec. These goals of plasma exposure in MPEX are well beyond those achieved in magnetic fusion experimental devices. Successfully achieving these high power steady state conditions for long pulses requires operational control of the heating and particle sources and the plasma flux to the walls and target. The MPEX AI Hot Spot Controller, proposed in this project, will help achieve the operational milestones of MPEX. The MPEX device will begin commissioning at the end of FY26. A smaller proto-MPEX was operated for 14,666 plasma discharges and will resume operation in September of 2025 as proto-MPEX-lite, with reduced capability, to test a new window for the Helicon plasma source. The proto-MPEX data has undergone surrogate modeling with machine learning methods (R. Archibald, 2022 IEEE International Conference on Big Data). This proto-MPEX data will be used to begin development of the AI digital twins described in this white paper. The scientific mission of MPEX is to qualify materials of different composition for use in the high energy and plasma flux conditions of a fusion power plant. The materials exposed in MPEX will in some cases be exposed to high neutron fluxes at other ORNL facilities to measure the changes to their PMI properties. The targets exposed in MPEX will be transported under vacuum to a Surface Analysis Station (SAS). The SAS will be equipped with the following diagnostics: Focused Ion Beam (FIB) for trench milling, 100-400 angstrom resolution scanning electron microscope (SEM), surface mapping x-ray spectrometer, high resolution camera, and a future upgrade to a laser induced breakdown spectroscopy quadruple mass spectrometer (LIBS-QMS). The MPEX experiments will generate diverse pre- and post-exposure measurement data of detailed material properties down to the crystal grain level in 3D for post-exposure assessment of PMI damage (e.g. cracking, melting, erosion and redeposition of the material). Physics models for the PMI, and how the material composition and manufacturing impact its performance under high energy plasma exposure, need to be validated with MPEX data to guide the selection of new candidate materials. Our vision for the MPEX AI Digital Twins project is to supply experimental and physics model simulation data to train Artificial Intelligence (AI) models for data processing, analysis, operational control, PMI and materials simulation to maximize the scientific output of the MPEX device. Ultimately, an AI digital twin of MPEX material assessment metrics for tested and synthetic material types with simulated PMI will be trained by the AI Modeling Teams on the experimental and physics simulation data submitted to the American Science Cloud by this project. A purely empirical search for the best material is inefficient given the finite number of samples that can be tested on MPEX. In order to expand the material properties database for training the MPEX Material Assessment AI Digital Twin, and to gain physics understanding of the PMI processes, physics models of the material properties and PMI processes are required. The physics simulations provide detailed simulation data, like impact angles for plasma ions, sputtering yields, transport of the ionized sputtered target material in the plasma, and redeposition locations. This simulation data expands the measurement data for deeper physics understanding. The experimental data is essential to validate the PMI and material structure simulation models. The validated models can then be used to generate new simulation data of MPEX material assessments for synthetic material compositions that have not been exposed in MPEX. These predictive simulations, plus the whole experimental dataset, will be used to train the MPEX Material Assessment AI Digital Twin allowing a rapid generative AI search for new materials with reduced PMI damage by interpolating the domain of the training set. These new optimum materials can be simulated with the physics codes and/or tested in MPEX. The ability of AI neural networks to interpolate multi-dimensional parameter spaces and generate virtual data is exploited for a more efficient search for optimum materials. The advent of the Transformational AI Models Consortium (TAIMC) is an opportunity to engage with state of the art private and public AI developers to achieve the goals of the AI digital twins and AI accelerated physics models proposed in this project. Our partners at ORNL from the Advance Scientific Computing Research (ASCR) organization will collaborate in accelerating the integrated plasma material interaction simulation framework. This simulation framework will provide a platform for generating simulation data across a range of physical fidelities, including hybrid methods that produce multi-fidelity results. This data will be leveraged for AI model development, both for generation of surrogates and the automation of simulation campaigns. A part of the research below will include collaborative efforts with the TAIMC to (i) adapt data storage approaches to ensure AI-readiness, (ii) provide a protypical exemplar to inform and exercise constructed workflows, and (iii) generate and share data, using the TAIMC unified AI data standard, for foundational models that will be trained from multiple sources across the DOE complex. We will also collaborate with the TAIMC, as well as the planned AI modeling teams, to develop approaches for reducing the cost of data generation. These include tailored multi-fidelity approaches as well as fine-tuning strategies to augment general, large-scale foundational models.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

A Comparison of Monte-Carlo Simulations and Data from MicroBooNE

This note presents a first comparison of data and Monte-Carlo (MC) simulation at the MicroBooNE experiment, a surface-level liquid argon time projection chamber (LArTPC) located in the Booster Neutrino Beam (BNB) at Fermi National Accelerator Laboratory. Before any analysis can be validated, it is important to ensure understanding of both the performance of the detector and the reconstruction algorithms. Comparing data with simulation can contribute to this effort.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Arctic Tipping Points Triggering Global Change (LDRD Final Report)

The Arctic is warming and feedbacks in the coupled Earth system may be driving the Arctic to tipping events that could have critical downstream impacts for the rest of the globe. In this project we have focused on analyzing sea ice variability and loss in the coupled Earth system Summer sea ice loss is happening rapidly and although the loss may be smooth and reversible, it has significant consequences for other Arctic systems as well as geopolitical and economic implications. Accurate seasonal predictions of sea ice minimum extent and long-term estimates of timing for a seasonally ice-free Arctic depend on a better understanding of the factors influencing sea ice dynamics and variation in this strongly coupled system. Under this project we have investigated the most influential factors in accurate predictions of September Arctic sea ice extent using machine learning models trained separately on observational data and on simulation data from five E3SM historical ensembles. Monthly averaged data from June, July, and August for a selection of ice, ocean, and atmosphere variables were used to train a random forest regression model. Gini importance measures were computed for each input feature with the testing data. We found that sea ice volume is most important earlier in the season (June) and sea ice extent became a more important predictor closer to September. Results from this study provide insight into how feature importance changes with forecast length and illustrates differences between observational data and simulated Earth system data. We have additionally performed a global sensitivity analysis (GSA) using a fully coupled ultra- low resolution configuration E3SM. To our knowledge, this is the first global sensitivity analysis involving the fully-coupled E3SM Earth system model. We have found that parameter variations show significant impact on the Arctic climate state and atmospheric parameters related to cloud parameterizations are the most significant. We also find significant interactions between parameters from different components of E3SM. The results of this study provide invaluable insight into the relative importance of various parameters from the sea ice, atmosphere and ocean components of the E3SM (including cross-component parameter interactions) on various Arctic-focused quantities of interest (QOIs).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Compressing unstructured mesh data from simulations using machine learning

The amount of data output from a computer simulation has grown to terabytes and petabytes as increasingly complex simulations are being run on massively parallel systems. As we approach exaflop computing in the next decade, it is expected that the I/O subsystem will not be able to write out these large volumes of data. In this paper, we explore the use of machine learning to compress the data before it is written out. Despite the computational constraints that limit us to using very simple learning algorithms, our results show that machine learning is a viable option for compressing unstructured data. Furthermore, we demonstrate that by simply using a better sampling algorithm to generate the training set, we can obtain more accurate results compared to random sampling, but at no extra cost. Further, by carefully selecting and incorporating points with high prediction error, we can improve reconstruction accuracy without sacrificing the compression rate.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Portable interactive visualization of large-scale simulations in geotechnical engineering using Unity3D

Development in large-scale geotechnical engineering simulation places tremendous demand for efficient visualization of such simulation data. This study presents a lightweight software tool, i.e. Geotechnical Interactive Visualization (GIV), as a solution to this challenge, which achieves efficient interactive visualization of large-scale simulations data in geotechnical engineering. Visualization data flow and algorithms specifically optimized for common geotechnical engineering applications are implemented in GIV. GIV can visualize geotechnical structure models with time-varying attributes attached to mesh with fixed topology, and also models with time-varying mesh topologies but no attributes attached, the two most common visualization tasks in geotechnical engineering. Furthermore, challenges for large-scale simulation data visualization, including parallel simulation data redundancy, massive data size, dynamic user interaction, and portability are overcome via specifically designed algorithms for simulation data preprocessing and optimized visualization modules using the powerful 3D rendering and interactive game engine Unity3D. Comparison of GIV with several widely used visualization tools for the visualization of large-scale idealized datasets and realistic geotechnical simulations highlights the visualization efficiency, smooth interactivity, and lightweight features of GIV.

42 ENGINEERING↗
DOE OSTI2015

Architectural Improvements and New Processing Tools for the Open XAL Online Model

The online model is the component of Open XAL providing accelerator modeling, simulation, and dynamic synchronization to live hardware. Significant architectural changes and feature additions have been recently made in two separate areas: 1) the managing and processing of simulation data, and 2) the modeling of RF cavities. Simulation data and data processing have been completely decoupled. A single class manages all simulation data while standard tools were developed for processing the simulation results. RF accelerating cavities are now modeled as composite structures where parameter and dynamics computations are distributed. The beam and hardware models both maintain their relative phase information, which allows for dynamic phase slip and elapsed time computation.

Accelerator Control↗
DOE OSTI2017

Contextual Compression of Large-Scale Wind Turbine Array Simulations

Data sizes are becoming a critical issue particularly for HPC applications. We have developed a user-driven lossy wavelet-based storage model to facilitate the analysis and visualization of large-scale wind turbine array simulations. The model stores data as heterogeneous blocks of wavelet coefficients, providing high-fidelity access to user-defined data regions believed the most salient, while providing lower-fidelity access to less salient regions on a block-by-block basis. In practice, by retaining the wavelet coefficients as a function of feature saliency, we have seen data reductions in excess of 94 percent, while retaining lossless information in the turbine-wake regions most critical to analysis and providing enough (low-fidelity) contextual information in the upper atmosphere to track incoming coherent turbulent structures. Our contextual wavelet compression approach has allowed us to deliver interative visual analysis while providing the user control over where data loss, and thus reduction in accuracy, in the analysis occurs. We argue this reduced but contextualized representation is a valid approach and encourages contextual data management.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Deep learning to estimate permeability using geophysical data

Time-lapse electrical resistivity tomography (ERT) is a popular geophysical method to estimate three-dimensional (3D) permeability fields from electrical potential difference measurements. Traditional inversion and data assimilation methods are used to ingest this ERT data into hydrogeophysical models to estimate permeability. Due to ill-posedness and the curse of dimensionality, existing inversion strategies provide poor estimates and low resolution of the 3D permeability field. Recent advances in deep learning provide us with powerful algorithms to overcome this challenge. This paper presents a deep learning (DL) framework to estimate the 3D subsurface permeability from time-lapse ERT data. To test the feasibility of the proposed framework, we train DL-enabled inverse models on simulation data. Each measurement in both synthetic and field data is standardized by removing the mean and scaling the time-series to unit variance. This pre-processing step is necessary to bring simulation data closer to field observations. Subsurface process models based on hydrogeophysics are used to generate this synthetic data. Training performed on limited simulation data resulted in the DL model over-fitting. An advanced data augmentation based on mixup is implemented to generate additional training samples to overcome this issue. This mixup technique creates weakly labeled (low-fidelity) samples from strongly labeled (high-fidelity) data. The weakly labeled training data is then used to develop DL-enabled inverse models and reduce over-fitting. As both time-lapse ERT (1133048 features/realization) and 3D permeability (585453 features/realization) data samples are from a high-dimensional space, principal component analysis (PCA) is employed to reduce dimensionality. Encoded ERT and encoded permeability are generated using the trained PCA estimators. A deep neural network is then trained to map the encoded ERT to encoded permeability. This mixup training and unsupervised learning allowed us to build a fast and reasonably accurate DL-based inverse model under limited simulation data. Results show that proposed weak supervised learning can capture salient spatial features in the 3D permeability field. Quantitatively, the average mean squared error (in terms of the natural log) on the strongly labeled training, validation, and test datasets is less than 0.5. The R 2 -score (global metric) is greater than 0.75, and the percent error in each cell (local metric) is less than 10%. Finally, an added benefit in terms of computational cost is that the proposed DL-based inverse model is at least O(10 4 ) times faster than running a forward model once it is trained. Data generation, DL model training, and hyperparameter tuning to identify optimal neural network architectures utilized high-performance computing resources while the DL inference is performed on a standard laptop. Approximately, O(10 5 ) processor hours are used for generating data and DL tuning and training. We acknowledge that the data generation and DL model development are expensive. But once a DL model is trained, it can be re-used for inversion rapidly for the given system, with set physics and domain. Note that traditional inversion may require multiple forward model simulations (e.g., in the order of 10 to 1000), which are very expensive. This computational savings ≈ O(10 5 ) – O(10 7 )) makes the proposed DL-based inverse model attractive for subsurface imaging and real-time ERT monitoring applications due to fast and yet reasonably accurate estimations of permeability field.

58 GEOSCIENCES↗
DOE OSTI2020

E3SM Water Cycle Visualization Project (Final Report)

Motivated by the need to improve visualizations of Earth's complex water cycle, this team embarked on non-trivial tasks to push from traditional methods of viewing data from simulations as static line graphs and contour plots into new realms with multiple dimensions (three spatial dimensions and the time component) viewable at once. To do this, we chose to feature the extremes in the general circulation of the atmosphere because these Earth system elements are short-lived, but impactful events. We used simulation data produced by the Department of Energy's (DOE) Energy Exascale Earth System Model (E3SM),which is designed to answer DOE science questions using DOE computing facilities. The E3SM project includes three sets of simulation experiments: cryosphere, bio-geochemical cycles, and the water cycle. The water cycle experiment campaign includes a set of simulations designed to understand how the water cycle will change in coming decades under a changing climate.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

A Hybrid Method to Estimate Specific Differential Phase and Rainfall With Linear Programming and Physics Constraints

A hybrid method of combining linear programming (LP) and physical constraints is developed to estimate specific differential phase (K DP ) and to improve rain estimation. Moreover, the hybrid K DP estimator and the existing estimators of LP, least squares fitting, and a self-consistent relation of polarimetric radar variables are evaluated and compared using simulated data. Our simulation results indicate the new estimator's superiority, particularly in regions where backscattering phase (δ hv ) dominates. Further, a quantitative comparison between auto-weather-station rain-gauge observations and K DP -based radar rain estimates for a Meiyu event also demonstrate the superiority of the hybrid K DP estimator over existing methods.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Real-Time Movement-Based Traffic Volume Prediction at Signalized Intersections

The traffic volume of each movement at signalized intersections can provide valuable information on real-time traffic conditions that enable traffic control systems to dynamically respond to the fluctuated traffic demands. Real-time movement-based traffic volume prediction is challenging due to various nonlinear spatial relationships at different locations/approaches and the complicated underlying temporal dependencies. In this study, a novel deep intersection spatial-temporal network (DISTN) is developed for real-time movement-based traffic volume prediction at signalized intersections, which considers both spatial and temporal features by the convolutional neural network (CNN) and long short-term memory (LSTM), respectively. In addition, the within-day, daily, and weekly periodic trends of traffic volume are also considered in the proposed model. This is the first time that a deep-learning method has been applied for movement-based traffic volume prediction at signalized intersections. In the numerical experiment, the proposed model is evaluated using real-world data and simulation data to demonstrate its effectiveness. The impacts of various structures of traffic networks on the proposed model are also discussed. Results show that the proposed model outperforms some of the state-of-the-art volume prediction methods currently in the literature.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2016

Comparative Visualization of Vector Field Ensembles Based on Longest Common Subsequence

We propose a longest common subsequence (LCS) based approach to compute the distance among vector field ensembles. By measuring how many common blocks the ensemble pathlines passing through, the LCS distance defines the similarity among vector field ensembles by counting the number of sharing domain data blocks. Compared to the traditional methods (e.g. point-wise Euclidean distance or dynamic time warping distance), the proposed approach is robust to outlier, data missing, and sampling rate of pathline timestep. Taking the advantages of smaller and reusable intermediate output, visualization based on the proposed LCS approach revealing temporal trends in the data at low storage cost, and avoiding tracing pathlines repeatedly. Finally, we evaluate our method on both synthetic data and simulation data, which demonstrate the robustness of the proposed approach.

Liu, Richen↗