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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 1,369 records · Page 76
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Towards Trust-Augmented Visual Analytics for Data-Driven Energy Modeling

The promise of data-driven predictive modeling is being increasingly realized in various science and engineering disciplines, where experts are used to the more conventional, simulation-driven modeling practices. However, trust remains a bottleneck for greater adoption of machine learning-based models for domain experts, who might not be necessarily trained in data science. In this paper, we focus on the building energy domain, where physics-based simulations are being complemented or replaced by machine learning-based methods for forecasting energy supply and demand at various spatio-temporal scales. We study the trust problem in close collaboration with energy scientists and engineers and describe how visual analytics can be leveraged for alleviating this trust bottleneck for stakeholders with varying degrees of expertise and analytics goals in this domain.

Kandakatla, Akshith R.↗
DOE OSTI2020

The Analog Front-end for the LGAD Based Precision Timing Application in CMS ETL

The analog front-end for the Low Gain Avalanche Detector (LGAD) based precision timing application in the CMS Endcap Timing Layer (ETL) has been prototyped in a 65 nm CMOS mini-ASIC named ETROC0. Serving as the very first prototype of ETL readout chip (ETROC), ETROC0 aims to study and demonstrate the performance of the analog frontend, with the goal to achieve 40 to 50 ps time resolution per hit with LGAD (therefore reach about 30ps per track with two detector-layer hits per track). ETROC0 consists of preamplifier and discriminator stages, which amplifies the LGAD signal and generates digital pulses containing time of arrival and time over threshold information. This paper will focus on the design considerations that lead to the ETROC front-end architecture choice, the key design features of the building blocks, the methodology of using the LGAD simulation data to evaluate and optimize the front-end design. The ETROC0 prototype chips have been extensively tested using charge injection and the measured performance agrees well with simulation. The initial beam test results are also presented, with time resolution of around 33 ps observed from the preamplifier waveform analysis and around 41 ps from the discriminator pulses analysis. A subset of ETROC0 chips have also been tested to a total ionizing dose of 100 MRad with X-ray and no performance degradation been observed.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Verification of the Serpent-Griffin Workflow using the SNAP 8 Experimental Reactor

The Systems for Nuclear Auxiliary Power (SNAP) program accumulated extensive experimental measurements over a span of 15 years. This work builds upon previous studies which validated Serpent against experimental data for various criticality configurations of the SNAP 8 Experimental Reactor (S8ER). A 2-stage sequence is applied here with Serpent used for the generation of few-group cross sections and Griffin as the transport eigenvalue solver. Sensitivity studies are performed to qualify the effect and uncertainty of various parameters, comparing against reference models for the S8ER. The results from this work will then be expanded to create a generalized methodology for the Serpent-Griffin 2-stage approach for microreactor applications.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2021

Unusual Metal–Organic Framework Topology and Radiation Resistance through Neptunyl Coordination Chemistry

A Np(V) neptunyl metal–organic framework (MOF) with rod-shaped secondary building units was synthesized, characterized, and irradiated with γ rays. Furthermore, single-crystal X-ray diffraction data revealed an anionic framework containing infinite helical chains of actinyl–actinyl interaction (AAI)-connected neptunyl ions linked together through tetratopic tetrahedral organic ligands (NSM). NSM exhibits an unprecedented net, demonstrating that AAIs may be exploited to give new MOFs and new topologies. To probe its radiation stability, we undertook the first irradiation study of a transuranic MOF and its organic linker building block using high doses of γ rays. Diffraction and spectroscopic data demonstrated that the radiation resistance of NSM is greater than that of its linker building block alone. Approximately 6 MGy of irradiation begins to induce notable changes in the long- and short-range order of the framework, whereas 3 MGy of irradiation induces total X-ray amorphization and changes in the local vibrational bands of the linker building block.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

WiP Abstract: Edge-Based Privacy of Naturalistic Driving Data Collection

Collecting large driving datasets is important for data-driven transportation research and studied in naturalistic driving [3]. Due to the standard implementation of a Controller Area Network (CAN) bus for a vehicle’s inter-module communication, many off-the-shelf devices can easily transform a vehicle into a rich data collection utility [2]. Vehicles with Adaptive Cruise Control (ACC) are an example of a feature resulting in emergent traffic behavior when scaled [4]. While these utilities were designed with particular data use cases, data may be publicly shared to benefit other researchers through online tools like CyVerse [1]. However, such data should only be shared when any private information is removed. This private information may exist as a set of GPS coordinates, since the start and end points of a trip may designate a driver’s place of residence or work. When considering larger continuously-collected data sets with a focus on naturalistic driving, many drivers are needed to make data collection feasible. Removal of private information becomes much more of a challenge since every driver may uniquely define their geographic privacy. This project aims to build upon the foundation of libpanda [2] by adding features of edge-based data privacy enforcement. In it’s current form, libpanda uses a GPS in conjunction with a CAN interface to record data. Libpanda feature s a set of startup and shutdown scripts to perform automatic data collection and upload. With additional support hardware on a Raspberry Pi, the Pi can maintain power on vehicle shutdown to automatically upload data before shutdown.

Bunting, Matt↗
DOE OSTI2022

Open Reproducible Electron Microscopy Data Analysis

Electron microscopy (EM) is a cornerstone technique in the materials and biological sciences capable of imaging structures at nano- to atomic-scale resolution. Advances in technologies mean that one acquires datasets at increasing data rates and sizes. These advancements present enormous opportunities for researchers to understand complex systems. However, processing the resulting large-scale, complex data in a reproducible and shareable way is a real challenge for researchers. The building, managing, and maintaining complex workflows in a reproducible manner requires extensive knowledge in several areas outside the researchers’ core skill sets, such as software engineering, data science, and high-performance computing (HPC). Our work demonstrates an innovative approach to solving these problems, enabling reproducible EM data analysis through container encapsulated pipelines. Using modern container technologies, we encapsulate processing elements and connect them using shared memory. We expose user-friendly, advanced algorithms and tools to allow end users to utilize without expert programming skills. The platform enables reproducible, scalable, shareable pipelines for the analysis and visualization of EM data. Focusing on interoperability, we leverage the DOE and other agencies’ existing investments to provide a powerful software platform for EM data analysis.

Harris, Christopher↗
DOE OSTI2025

Statistical Analysis of Imaging Laser Scan Data of an Exhaust Tunnel at the SRS

• The SRS H-Canyon Building is a critical facility under the responsibility of DOE-EM. • It includes an Air Exhaust Tunnel (HCAEX) that allows for ventilation of the process airflow. • Inspections are performed remotely because of hazards, e.g. radioactivity, debris, high airflow, and nitric acid vapors.

Wells, William Willie [Savannah River National Lab↗
DOE OSTI2023

Automatic Point Cloud Building Envelope Segmentation (AutoCuBES)

The Auto-CuBES algorithm is based on unsupervised machine learning that automatically labels 3D point cloud data and reduces the time spent in manual segmentation. The algorithm can process high-resolution point clouds and generate a wire-frame building envelope model with a small set of calibration parameters. The algorithm inputs a 3D point cloud generated by commonly available surveying equipment and outputs a wire-frame model of the building envelope. Unsupervised machine learning methods were used to identify facades, windows, and doors while minimizing the number of calibration parameters.

Puente, BryanMaldonado↗
DOE OSTI2024

Exploring Li-Ion Transport Properties of Li 3 TiCl 6 : A Machine Learning Molecular Dynamics Study

We performed large-scale molecular dynamics simulations based on a machine-learning force field (MLFF) to investigate the Li-ion transport mechanism in cation-disordered Li 3 TiCl 6 cathode at six different temperatures, ranging from 25°C to 100°C. In this work, deep neural network method and data generated by ab − initio molecular dynamics (AIMD) simulations were deployed to build a high-fidelity MLFF. Radial distribution functions, Li-ion mean square displacements (MSD), diffusion coefficients, ionic conductivity, activation energy, and crystallographic direction-dependent migration barriers were calculated and compared with corresponding AIMD and experimental data to benchmark the accuracy of the MLFF. From MSD analysis, we captured both the self and distinct parts of Li-ion dynamics. The latter reveals that the Li-ions are involved in anti-correlation motion that was rarely reported for solid-state materials. Similarly, the self and distinct parts of Li-ion dynamics were used to determine Haven’s ratio to describe the Li-ion transport mechanism in Li 3 TiCl 6 . Obtained trajectory from molecular dynamics infers that the Li-ion transportation is mainly through interstitial hopping which was confirmed by intra- and inter-layer Li-ion displacement with respect to simulation time. Ionic conductivity (1.06 mS/cm) and activation energy (0.29eV) calculated by our simulation are highly comparable with that of experimental values. Overall, the combination of machine-learning methods and AIMD simulations explains the intricate electrochemical properties of the Li 3 TiCl 6 cathode with remarkably reduced computational time. Thus, our work strongly suggests that the deep neural network-based MLFF could be a promising method for large-scale complex materials.

Selvaraj, Selva Chandrasekaran (ORCID:000000029023↗
DOE OSTI2021

Computationally Efficient Multiscale Neural Networks Applied to Fluid Flow in Complex 3D Porous Media

Abstract The permeability of complex porous materials is of interest to many engineering disciplines. This quantity can be obtained via direct flow simulation, which provides the most accurate results, but is very computationally expensive. In particular, the simulation convergence time scales poorly as the simulation domains become less porous or more heterogeneous. Semi-analytical models that rely on averaged structural properties (i.e., porosity and tortuosity) have been proposed, but these features only partly summarize the domain, resulting in limited applicability. On the other hand, data-driven machine learning approaches have shown great promise for building more general models by virtue of accounting for the spatial arrangement of the domains’ solid boundaries. However, prior approaches building on the convolutional neural network (ConvNet) literature concerning 2D image recognition problems do not scale well to the large 3D domains required to obtain a representative elementary volume (REV). As such, most prior work focused on homogeneous samples, where a small REV entails that the global nature of fluid flow could be mostly neglected, and accordingly, the memory bottleneck of addressing 3D domains with ConvNets was side-stepped. Therefore, important geometries such as fractures and vuggy domains could not be modeled properly. In this work, we address this limitation with a general multiscale deep learning model that is able to learn from porous media simulation data. By using a coupled set of neural networks that view the domain on different scales, we enable the evaluation of large ( $$>512^3$$ > 512 3 ) images in approximately one second on a single graphics processing unit. This model architecture opens up the possibility of modeling domain sizes that would not be feasible using traditional direct simulation tools on a desktop computer. We validate our method with a laminar fluid flow case using vuggy samples and fractures. As a result of viewing the entire domain at once, our model is able to perform accurate prediction on domains exhibiting a large degree of heterogeneity. We expect the methodology to be applicable to many other transport problems where complex geometries play a central role.

36 MATERIALS SCIENCE↗
DOE OSTI2024

RECON Label Quality Report

The final quality of any AI/ML system is directly related to the quality of the input data used to train the system. In this case, we are trying to build a reliable image classifier that can correctly identify electrical components in x-ray images. The classification confidence is directly related to the quality of the labels in the training data, which are used in developing the AI/ML classifier. Incorrect or incomplete labels can substantially hinder the performance of the system during the training process, as it tries to compensate for variations that should not exist. Image labels are entered by subject matter experts, and in general can be assumed to be correct. However, this is not a guarantee, so developing ways to measure label quality and help identify or reject bad labels is important, especially as the database continues to grow. Given the current size of the database, a full manual review of each component is not feasible. This report will highlight the current state of the “RECON” x-ray image database and summarize several recent developments to try to help ensure high quality labeling both now and in the future. Questions that we hope to answer with this development include: 1) Are there any components with incorrect labels? 2) Can we suggest labels for components that are marked “Unknown”? 3) What kind of overall confidence do we have in the quality of the existing labels? 4) What systems or procedures can we put in place to maximize label quality?

42 ENGINEERING↗
DOE OSTI2023

DEEPEN Global Standardized Categorical Exploration Datasets for Magmatic Plays

DEEPEN stands for DE-risking Exploration of geothermal Plays in magmatic ENvironments. As part of the development of the DEEPEN 3D play fairway analysis (PFA) methodology for magmatic plays (conventional hydrothermal, superhot EGS, and supercritical), weights needed to be developed for use in the weighted sum of the different favorability index models produced from geoscientific exploration datasets. This was done using two different approaches: one based on expert opinions, and one based on statistical learning. This GDR submission includes the datasets used to produce the statistical learning-based weights. While expert opinions allow us to include more nuanced information in the weights, expert opinions are subject to human bias. Data-centric or statistical approaches help to overcome these potential human biases by focusing on and drawing conclusions from the data alone. The drawback is that, to apply these types of approaches, a dataset is needed. Therefore, we attempted to build comprehensive standardized datasets mapping anomalies in each exploration dataset to each component of each play. This data was gathered through a literature review focused on magmatic hydrothermal plays along with well-characterized areas where superhot or supercritical conditions are thought to exist. Datasets were assembled for all three play types, but the hydrothermal dataset is the least complete due to its relatively low priority. For each known or assumed resource, the dataset states what anomaly in each exploration dataset is associated with each component of the system. The data is only a semi-quantitative, where values are either high, medium, or low, relative to background levels. In addition, the dataset has significant gaps, as not every possible exploration dataset has been collected and analyzed at every known or suspected geothermal resource area, in the context of all possible play types. The following training sites were used to assemble this dataset: - Conventional magmatic hydrothermal: Akutan (from AK PFA), Oregon Cascades PFA, Glass Buttes OR, Mauna Kea (from HI PFA), Lanai (from HI PFA), Mt St Helens Shear Zone (from WA PFA), Wind River Valley (From WA PFA), Mount Baker (from WA PFA). - Superhot EGS: Newberry (EGS demonstration project), Coso (EGS demonstration project), Geysers (EGS demonstration project), Eastern Snake River Plain (EGS demonstration project), Utah FORGE, Larderello, Kakkonda, Taupo Volcanic Zone, Acoculco, Krafla. - Supercritical: Coso, Geysers, Salton Sea, Larderello, Los Humeros, Taupo Volcanic Zone, Krafla, Reyjanes, Hengill. **Disclaimer: Treat the supercritical fluid anomalies with skepticism. They are based on assumptions due to the general lack of confirmed supercritical fluid encounters and samples at the sites included in this dataset, at the time of assembling the dataset. The main assumption was that the supercritical fluid in a given geothermal system has shared properties with the hydrothermal fluid, which may not be the case in reality. Once the datasets were assembled, principal component analysis (PCA) was applied to each. PCA is an unsupervised statistical learning technique, meaning that labels are not required on the data, that summarized the directions of variance in the data. This approach was chosen because our labels are not certain, i.e., we do not know with 100% confidence that superhot resources exist at all the assumed positive areas. We also do not have data for any known non-geothermal areas, meaning that it would be challenging to apply a supervised learning technique. In order to generate weights from the PCA, an analysis of the PCA loading values was conducted. PCA loading values represent how much a feature is contributing to each principal component, and therefore the overall variance in the data.

15 GEOTHERMAL ENERGY↗
DOE OSTI2024

Coupling a recurrent neural network to SPAD TCSPC systems for real-time fluorescence lifetime imaging

Fluorescence lifetime imaging (FLI) has been receiving increased attention in recent years as a powerful diagnostic technique in biological and medical research. However, existing FLI systems often suffer from a tradeoff between processing speed, accuracy, and robustness. Inspired by the concept of Edge Artificial Intelligence (Edge AI), we propose a robust approach that enables fast FLI with no degradation of accuracy. This approach couples a recurrent neural network (RNN), which is trained to estimate the fluorescence lifetime directly from raw timestamps without building histograms, to SPAD TCSPC systems, thereby drastically reducing transfer data volumes and hardware resource utilization, and enabling real-time FLI acquisition. We train two variants of the RNN on a synthetic dataset and compare the results to those obtained using center-of-mass method (CMM) and least squares fitting (LS fitting). Results demonstrate that two RNN variants, gated recurrent unit (GRU) and long short-term memory (LSTM), are comparable to CMM and LS fitting in terms of accuracy, while outperforming them in the presence of background noise by a large margin. To explore the ultimate limits of the approach, we derive the Cramer-Rao lower bound of the measurement, showing that RNN yields lifetime estimations with near-optimal precision. To demonstrate real-time operation, we build a FLI microscope based on an existing SPAD TCSPC system comprising a 32 x 32 SPAD sensor named Piccolo. Four quantized GRU cores, capable of processing up to 4 million photons per second, are deployed on the Xilinx Kintex-7 FPGA that controls the Piccolo. Powered by the GRU, the FLI setup can retrieve real-time fluorescence lifetime images at up to 10 frames per second. The proposed FLI system is promising and ideally suited for biomedical applications, including biological imaging, biomedical diagnostics, and fluorescence-assisted surgery, etc.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Developing Decommissioning Cost Estimating Relationships and the Decommissioning Estimate Analysis Library Estimating System - 20423

DOE-EM's Consolidated Business Center (EM-CBC) Office of Cost Estimating has developed a system of Decommissioning Cost Estimating Relationships (CERs) and Models to improve the reliability and efficiency of its estimates. The development builds on the multi-year process of collecting and organizing historical cost data from DOEEMs decommissioning projects and estimate model development to support project and program-level decommissioning estimates. The latest work has extended these models down to project scope element and component building area levels, allowing the actual costs of work for these estimate components to be assembled into estimates that reflect specific projects. The CERs have been incorporated into two estimator-friendly products - as cost libraries in the MII estimating program and as an MS Excel-based model, and are available for DOE federal staff use. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2026

Data‐Efficient Generation of Synthetic Microstructures of Polymer‐Bonded Energetic Material With Fine‐Tuned Stable Diffusion

Among current deep learning approaches for synthetic image generation, diffusion-based models stand out in terms of algorithmic stability and ability to retain high-fidelity image features with detailed resolution. Here, in this work, we employ Dreambooth, a method for fine-tuning Stable Diffusion, on X-ray CT images of microstructure of the polymer-bonded form (PBX) of a commonly used high explosive, Pentaerythritol tetranitrate (PETN), which yields generative models for creating synthetic PBX images. The models developed here represent five classes (or ‘lots’) of microstructures and demonstrate successful generation of images of each class with high fidelity, as verified by computed classification accuracy of ∼ 94% or higher. Data augmentation afforded by such image synthesis can be used to more reliably decipher underlying statistics, build processing-structure correlations, recognize off-normal structural anomalies, and identify age-related changes. Ideas related to converting image data into appropriate density mapping and performing mesoscale simulation or surrogate modeling of detonation are also discussed.

Dreambooth↗
DOE OSTI2020

Building Large-Scale U.S. Synthetic Electric Distribution System Models

Rapid increases in distributed energy resources on distribution systems are prompting research efforts to improve and evaluate electric power distribution algorithms; however, there is a shortage of realistic, large-scale, U.S.-style test systems for the evaluation of such advanced algorithms. Some available tools to build large-scale test systems are of European style, and their application to studies focused on the United States might not be desirable given very different characteristics between the European and U.S. distribution designs. Motivated by this need, this paper develops detailed algorithms to build large-scale U.S. distribution systems and incorporates them in a new Reference Network Model, RNM-US. The approach starts with information from street maps and a catalog with electric equipment that includes power lines, transformers, voltage regulators, capacitors, and switching devices. The paper presents the algorithms through an illustrative case study of the different steps that comprise the process of building a synthetic distribution grid. Finally, the paper presents a medium- and a large-scale data set covering 10 million electrical nodes and 120,000 km of power lines, demonstrating the applicability of the proposed method to build very large-scale synthetic distribution systems.

27 ARPA - Advanced Research Projects Agency-Energy↗
DOE OSTI2025

I Can’t Read All That! Improving the Usability of Semantic Models Using Concise, Ontology-Agnostic, Building-Specific Schemas

Semantic ontologies have enabled the creation of formalized, machine-readable descriptions of heterogenous building systems by providing dictionaries of well defined concepts that can be applied to model them. Within a semantic model of a particular building, a subset of an ontology's concepts may be applied in different ways to represent a particular perspective of the building's systems. How the concepts were applied can only be understood by examining the large amount of instance data within a semantic model, which leads to usability challenges. We propose a concise, ontology-agnostic method for defining building-specific schema (b-schema) graphs that summarize the structure and content of a semantic model. This approach provides a queryable and concise representation of the model's contents, separate from the instance data within a model, that can mitigate the challenges posed by the size and complexity of semantic models in processes such as visualization, querying, validation, and the use of large language models (LLMs). We validate our approach on semantic models based on the Brick and ASHRAE S223 ontologies. Results demonstrate that b-schemas significantly reduce the complexity of visual interpretation, accelerate SPARQL queries and SHACL validation, and improve LLM-based knowledge graph question answering.

Paul, Lazlo [Lawrence Berkeley National Laboratory↗
DOE OSTI2022

A Search of the Full Six Years of the Dark Energy Survey for Outer Solar System Objects

We present a search for outer solar system objects in the 6 yr of data from the Dark Energy Survey (DES). The DES covered a contiguous 5000 deg 2 of the southern sky with ≈80,000 3 deg 2 exposures in the grizY filters between 2013 and 2019. This search yielded 812 trans-Neptunian objects (TNOs), one Centaur and one Oort cloud comet, 458 reported here for the first time. We present methodology that builds upon our previous search on the first 4 yr of data. All images were reprocessed with an optimized detection pipeline that leads to an average completeness gain of 0.47 mag per exposure, as well as improved transient catalog production and algorithms for linkage of detections into orbits. All objects were verified by visual inspection and by the “sub-threshold significance,” the signal-to-noise ratio in the stack of images in which its presence is indicated by the orbit, but no detection was reported. This yields a pure catalog complete to r ≈ 23.8 mag and distances 29 < d < 2500 au. The TNOs have minimum (median) of 7 (12) nights’ detections and arcs of 1.1 (4.2) yr, and will have grizY magnitudes available in a further publication. We present software for simulating our observational biases for comparisons of models to our detections. Initial inferences demonstrating the catalog’s statistical power are: the data are inconsistent with the CFEPS-L7 model for the classical Kuiper Belt; the 16 “extreme” TNOs (a > 150 au, q > 30 au) are consistent with the null hypothesis of azimuthal isotropy; and nonresonant TNOs with q > 38 au, a > 50 au show a significant tendency to be sunward of major mean-motion resonances.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗