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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 397 records · Page 22

Plasma confinement state classification in fusion power plants: Profile reflectometer and ensemble diagnostics

As Fusion Pilot Plants (FPPs) are increasingly viewed as within reach, many engineering challenges remain. Not many diagnostics are expected to be available in a reactor environment. Survivability, maintainability, and limited port space substantially restrict the number of FPP-relevant diagnostics. One remaining challenge is developing tools and devices to extract plasma state information necessary for controlling an FPP from a limited subset of diagnostics. This work is part of an overarching project to address this challenge. The specific diagnostic subset to be used in FPPs is still under debate. We take the approach of developing machine-learning-based tools for different significant plasma state parameters, using already known FPP-viable diagnostics. Previously we developed a plasma confinement mode classifier utilizing the Electron Cyclotron Emission (ECE) diagnostic. Here, we expand on this by developing a Profile Reflectometer (PR) based classifier with 97% test accuracy, and an ensemble model that combines the ECE and PR models into a single model, achieving 99% test accuracy.

Clark, Randall [Univ. of California, San Diego, CA↗

Machine-Learning for Battery Health Diagnosis

Battery health diagnosis often requires time-consuming measurements in laboratory conditions, but these types of measurements are unsuitable for use in real-world application such as electric vehicles. Instead, rapid measurements that can be conducted at varying environmental conditions need to be used to monitor battery health. Machine-learning techniques can then be utilized to connect these rapid measurements to health diagnostic information recorded in the lab. This presentation is a part of a tutorial on using machine-learning methods to analyze and predict battery state.

battery↗

MIDAS: Modeling Individual Differences using Advanced Statistics

This research explores novel methods for extracting relevant information from EEG data to characterize individual differences in cognitive processing. Our approach combines expertise in machine learning, statistics, and cognitive science, advancing the state-of-the art in all three domains. Specifically, by using cognitive science expertise to interpret results and inform algorithm development, we have developed a generalizable and interpretable machine learning method that can accurately predict individual differences in cognition. The output of the machine learning method revealed surprising features of the EEG data that, when interpreted by the cognitive science experts, provided novel insights to the underlying cognitive task. Additionally, the outputs of the statistical methods show promise as a principled approach to quickly find regions within the EEG data where individual differences lie, thereby supporting cognitive science analysis and informing machine learning models. This work lays methodological ground work for applying the large body of cognitive science literature on individual differences to high consequence mission applications.

97 MATHEMATICS AND COMPUTING↗

Predictive Engineering of Interfaces and Cathodes for High-Performance All Solid-State Lithium-Sulfur Batteries

The primary goal of this project is to leverage data-driven methods and machine learning strategies to develop accurate multi-physics models for all-solid-state Li-S battery (ASLSB) materials that can capture electrochemical and transport phenomena over atomic to mesoscopic length/timescales. These models will be rigorously validated by synthesis and advanced characterization experiments. The team will leverage the predictive power of these models, alongside synthesis/characterization experiments and battery fabrication to address longstanding issues at the electrode/electrolyte interfaces in ASLSBs. The project’s proposed technology involves the following: (1) halide-doped solid sulfide electrolytes that can concurrently provide high Li + ion conductivity and suppress dendrite growth; (2) novel mesoporous cathode composed of super-P and carbon nanotubes co-infiltrated with sulfur and sulfide electrolyte, which hold potential to allow high sulfur loading and optimal ion/electron pathways; and (3) functionalization of sulfide electrolyte with ionic liquids to improve physical contact and minimize impedance at the cathode/electrolyte interface. Successful development of proposed predictive models (at multiple scales) will bridge this knowledge gap and will advance fundamental understanding of reaction chemistry, kinetics, charge transfer, and dendrite growth at electrified SSIs. This will enable predictive design of effective strategies to mitigate interfacial problems in ASSLSBs, including poor interfacial contact, interfacial impedance to Li + ion transport, and poor electron/ion conduction within cathodes. Ultimately, the fundamental knowledge gained will lead to development of high-performance ASSLSBs.

25 ENERGY STORAGE↗

Environmentally Assisted Fatigue in Light Water Reactor Environment

This report summarizes the Environmentally Assisted Fatigue (EAF) research conducted at ANL under the US DOE Light Water Reactor Sustainability (LWRS) program. Starting from a rich background in theoretical and experimental EAF, ANL previously developed an approach to evaluate fatigue performance of reactor materials in light water reactor environments with the correction factor F en . The approach was based on a large body of experimental work performed at ANL and elsewhere, and was consistent with American Society of Mechanical Engineers (ASME)’s methodology governing the design and construction of reactor components. In recent years, the program was focused on component fatigue prediction and made several major and fundamental contributions in this area. These accomplishments help meet the needs identified by the industry concerning component level fatigue predictions in complex, transient conditions. The main contribution of the ANL program involved the development of a system-level model for estimating residual strain and life of nuclear reactor coolant system components under connected-system-thermal-mechanical boundary conditions. The goal was to predict the stress hotspots, strain residuals, strain amplitudes and the resulting fatigue lives. Thermal-mechanical stress analysis was performed considering thermal stratification and a design-basis reactor loading cycle. Based on the finite element (FE) model results, the strain residuals, strain amplitudes and resulting fatigue lives of reactor coolant system (RCS) components were predicted. The results show that some of the RCS components can have significantly different strain amplitudes, residual strain, and fatigue lives, despite having similar geometry and material. In addition, the simulated component-level strain profile can guide the selection of appropriate test inputs for conducting laboratory-scale EAF tests. Building upon the system-level model, ANL developed a digital twin (DT) framework to predict the structural states and associated fatigue life of components in real-time. This framework is a comprehensive system designed to predict the structural states and fatigue lives of reactor components. It includes multiple models and integrates artificial intelligence (AI), machine learning (ML), and FE based modeling tools to evaluate the structural states and fatigue lives.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Energy conserving and well-balanced discontinuous Galerkin methods for the Euler–Poisson equations in spherical symmetry

ABSTRACT This paper presents high-order Runge–Kutta (RK) discontinuous Galerkin methods for the Euler–Poisson equations in spherical symmetry. The scheme can preserve a general polytropic equilibrium state and achieve total energy conservation up to machine precision with carefully designed spatial and temporal discretizations. To achieve the well-balanced property, the numerical solutions are decomposed into equilibrium and fluctuation components that are treated differently in the source term approximation. One non-trivial challenge encountered in the procedure is the complexity of the equilibrium state, which is governed by the Lane–Emden equation. For total energy conservation, we present second- and third-order RK time discretization, where different source term approximations are introduced in each stage of the RK method to ensure the conservation of total energy. A carefully designed slope limiter for spherical symmetry is also introduced to eliminate oscillations near discontinuities while maintaining the well-balanced and total-energy-conserving properties. Extensive numerical examples – including a toy model of stellar core collapse with a phenomenological equation of state that results in core bounce and shock formation – are provided to demonstrate the desired properties of the proposed methods, including the well-balanced property, high-order accuracy, shock-capturing capability, and total energy conservation.

79 ASTRONOMY AND ASTROPHYSICS↗

A Smart Vision-Aided RICH (Robotic Interface Control and Handling) System for VULCAN

High-flux neutron beams and high-efficiency detectors enable rapid neutron diffraction measurements at the Engineering Materials Diffractometer (VULCAN) at the Spallation Neutron Source (SNS), Oak Ridge National Laboratory (ORNL). To optimize beam time utilization, efficient sample exchange, alignment, and automated measurements are essential. Recent advances in artificial intelligence (AI) have expanded the capabilities of robotic systems. Here, we report the development of a Robotic Interactive Control and Handling (RICH) system for sample handling at VULCAN, designed to support high-throughput experiments and reduce overhead time. The RICH system employs a six-axis desktop robot integrated with AI-based computer vision models capable of recognizing and localizing samples in real time from instrument and depth-resolving cameras. Vision algorithms combine these detections to align samples with designated measurement positions or place them within complex sample environments such as furnaces. This integration of machine learning-assisted vision with robotic handling demonstrates the feasibility of autonomous sample detection and preparation, offering a pathway toward fully unmanned neutron scattering experiments.

automation↗

High-dimensional anomaly detection with radiative return in $\mathcal{e}$⁺$\mathcal{e}$⁻ collisions

Experiments at a future $\mathcal{e}$⁺$\mathcal{e}$⁻ collider will be able to search for new particles with masses below the nominal centre-of-mass energy by analyzing collisions with initial-state radiation (radiative return). We show that machine learning methods that use imperfect or missing training labels can achieve sensitivity to generic new particle production in radiative return events. In addition to presenting an application of the classification without labels (CWoLa) search method in $\mathcal{e}$⁺$\mathcal{e}$⁻ collisions, our study combines weak supervision with variable-dimensional information by deploying a deep sets neural network architecture. We have also investigated some of the experimental aspects of anomaly detection in radiative return events and discuss these in the context of future detector design.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Mechanistic Insights into Copper(I) and Copper(II) Cation Exchange Reactions in CdSe Nanoplatelets

In this study, we investigated the synthesis of copper selenide nanoplatelets (NPLs) through a cation exchange reaction (CER) in 5-monolayer-thick CdSe NPLs using Cu(I) and Cu(II) precursors. We discovered that the exposure of CdSe NPLs to a Cu(I) precursor led to the transformation of NPLs into Cu 2-x Se while maintaining their nanoplatelet morphology. The replacement of Cd(II) with Cu(I) prevailed over the formation of doped structures. In the case of the Cu(II) precursor, we observed that Cu(II) was first reduced to Cu(I) before being intercalated into the host lattice, resulting in the synthesis of Cu 2-x Se, similar to CER with Cu(I) precursors but without preservation of the initial morphology of NPLs. Interestingly, the presence of oxygen was found to facilitate the cation exchange processes in CdSe NPLs, whereas a nitrogen atmosphere suppressed the CER. Further, despite the similar ionic sizes of Cu(I) and Cu(II), the substitution of Cd(II) with Cu(II) was found to be challenging, possibly due to the involvement of redox processes resulting in the significant deterioration of initial CdSe NPLs. We demonstrate that CER can achieve near-complete substitution of cadmium atoms with monovalent copper at room temperature. Understanding the processes involved in CERs is crucial for engineering more complex structures, such as high-entropy nanoparticles involving cation exchange with different oxidation states and development of material synthesis using machine learning and artificial intelligence approaches.

2D nanoplatelets↗

A Combined DFT, Energy Decomposition, and Data Analysis Approach to Investigate the Relationship Between Noncovalent Interactions and Selectivity in a Flexible DABCOnium/Chiral Anion Catalyst System

Developing strategies to study reactivity and selectivity in flexible catalyst systems has become an important topic of research. Herein, we report a combined experimental and computational study aimed at understanding the mechanistic role of an achiral DABCOnium cofactor in a regio- and enantiodivergent bromocyclization reaction. In this study, it was found that electron-deficient aryl substituents enable rigidified transition states via an anion–π interaction with the catalyst, which drives the selectivity of the reaction. In contrast, electron-rich aryl groups on the DABCOnium result in significantly more flexible transition states, where interactions between the catalyst and substrate are more important. An analysis of not only the lowest-energy transition state structures but also an ensemble of low-energy transition state conformers via energy decomposition analysis and machine learning was crucial to revealing the dominant noncovalent interactions responsible for observed changes in selectivity in this flexible system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Automatic speech recognition predicts contemporaneous earthquake fault displacement

Abstract Significant progress has been made in probing the state of an earthquake fault by applying machine learning to continuous seismic waveforms. The breakthroughs were originally obtained from laboratory shear experiments and numerical simulations of fault shear, then successfully extended to slow-slipping faults. Here we apply the Wav2Vec-2.0 self-supervised framework for automatic speech recognition to continuous seismic signals emanating from a sequence of moderate magnitude earthquakes during the 2018 caldera collapse at the Kīlauea volcano on the island of Hawai’i. We pre-train the Wav2Vec-2.0 model using caldera seismic waveforms and augment the model architecture to predict contemporaneous surface displacement during the caldera collapse sequence, a proxy for fault displacement. We find the model displacement predictions to be excellent. The model is adapted for near-future prediction information and found hints of prediction capability, but the results are not robust. The results demonstrate that earthquake faults emit seismic signatures in a similar manner to laboratory and numerical simulation faults, and artificial intelligence models developed for encoding audio of speech may have important applications in studying active fault zones.

58 GEOSCIENCES↗

Deep learning approaches for neural decoding across architectures and recording modalities

Decoding behavior, perception or cognitive state directly from neural signals is critical for brain–computer interface research and an important tool for systems neuroscience. In the last decade, deep learning has become the state-of-the-art method in many machine learning tasks ranging from speech recognition to image segmentation. The success of deep networks in other domains has led to a new wave of applications in neuroscience. In this article, we review deep learning approaches to neural decoding. Here, we describe the architectures used for extracting useful features from neural recording modalities ranging from spikes to functional magnetic resonance imaging. Furthermore, we explore how deep learning has been leveraged to predict common outputs including movement, speech and vision, with a focus on how pretrained deep networks can be incorporated as priors for complex decoding targets like acoustic speech or images. Deep learning has been shown to be a useful tool for improving the accuracy and flexibility of neural decoding across a wide range of tasks, and we point out areas for future scientific development.

59 BASIC BIOLOGICAL SCIENCES↗

ODI notebook additive_manufacturing_video_2022

Additive Manufacturing, video dataset Two-photon lithography (TPL) is a widely used 3D nanoprinting technique that uses laser light to create objects. Challenges to large-scale adoption of this additive manufacturing method include identifying light dosage parameters and monitoring during fabrication. A research team from LLNL, Iowa State University, and Georgia Tech is applying machine learning models to tackle these challenges-i.e., accelerate the process of identifying optimal light dosage parameters and automate the detection of part quality. Funded by LLNL's Laboratory Directed Research and Development Program, the project team has curated a video dataset of TPL processes for parameters such as light dosages, photo-curable resins, and structures. Both raw and labeled versions of the datasets are available on the links in the Open Data Initiative page. The code uses the labeled dataset. Notebook compiled by Nisha Mulakken (mulakken1@llnl.gov) for LLNL Open Data Initiative, Summer 2022. Original code provided by research team. Publications: X.Y. Lee, S.K. Saha, S. Sarkar, B. Giera. "Automated detection of part quality during two-photon lithography via deep learning." Additive Manufacturing 36, December 2020: doi.org/10.1016/j.addma.2020.101444 X.Y. Lee, S.K. Saha, S. Sarkar, B. Giera. "wo Photon lithography additive manufacturing: Video dataset of parameter sweep of light dosages, photo-curable resins, and structures." Data in Brief 32, October 2020. doi.org/10.1016/j.dib.2020.106119.

Mulakken, NishaJ↗

Redesign of the Timeline Generator at Fermilab using a web-based Flutter application, GraphQL API and an IOC

The control system at Fermilab is undergoing an evolution with a shift towards web-based applications with connections to the EPICS infrastructure. The Timeline Generator (TLG) is an application that serves to coordinate events across the lab using different timing links. These links include the Tevatron clock (TCLK), a 10 MHz serial link with events encoded at 20Hz and Machine Data (MDAT), a communication link with states encoded at 720Hz. This paper covers the redesign of the major components of the TLG. This includes a web-based Flutter application for building timelines. A placement service is in use that has a GraphQL interface and uses a timeline input to compute a schedule of events and states. The Flutter application sends this computed schedule to the TLG IOC via a GraphQL interface to the Data Pool Manager (DPM). The TLG IOC runs on an Arria FPGA, the Accelerator Clock Generator (ACLK-GEN), which is responsible for writing the events and states on to the different timing links.

Carmichael, Linden [Fermilab]↗

Peregrine Software Development: Report on the Code Conversion From Python to C++

This work package seeks to convert the Peregrine software tool from its original Python implementation to a production version based on the C++ language. Peregrine is a powerful research platform with a multitude of advanced data analytics and data visualization functionalities. Developed by scientists to explore multimodal and multidimensional data related to the production of components using powder bed additive manufacturing processes, the tool implements state-of-the-art algorithms to assist machine users in making build or part quality determinations. Given that Peregrine is data-intensive, the goal of this conversion is to enhance the tool’s flexibility and interactivity and reduce the number of code dependencies to facilitate its deployment as part of the ongoing technology transfer campaign. This brief document provides an overview of Peregrine’s functionalities and capabilities, along with a detailed description of the core functionalities that have been implemented to date in the new C++ version. This document serves as a development update at the end of the first year of the ongoing conversion and will be regularly updated as progress continues.

97 MATHEMATICS AND COMPUTING↗

SULI Oral Presentation

Furthering our understanding of the prevalence and severity of issues that customers face when charging their electric vehicles (EVs) is crucial in order to improve the charging experience across the United States. This project utilizes web-scraping, machine leaning (ML), and natural language processing (NLP) techniques to analyze and categorize user-generated reviews. Selenium was used to build a data collection tool that can scrape vast amounts of user review data from the PlugShare website. Sentiment analysis was employed on this dataset in order to filter out negative reviews for further analysis. NLP techniques such as tokenization and word embedding were then used to convert user-written comments into a numerical format that a ML model can interpret. Multiple ML approaches are currently being explored in order to identify and categorize the charging issues being talked about in each review. Ultimately, the results from the ML model will be visualized and explained in a report on customer pain points to be delivered to the ChargeX Consortium, therefore revealing specific areas for improvement in the customer charging experience.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

SULI Oral Presentation

Furthering our understanding of the prevalence and severity of issues that customers face when charging their electric vehicles (EVs) is crucial in order to improve the charging experience across the United States. This project utilizes web-scraping, machine leaning (ML), and natural language processing (NLP) techniques to analyze and categorize user-generated reviews. Selenium was used to build a data collection tool that can scrape vast amounts of user review data from the PlugShare website. Sentiment analysis was employed on this dataset in order to filter out negative reviews for further analysis. NLP techniques such as tokenization and word embedding were then used to convert user-written comments into a numerical format that a ML model can interpret. Multiple ML approaches are currently being explored in order to identify and categorize the charging issues being talked about in each review. Ultimately, the results from the ML model will be visualized and explained in a report on customer pain points to be delivered to the ChargeX Consortium, therefore revealing specific areas for improvement in the customer charging experience.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Development of a Convolutional Neural Network Classifier for Data Starved Spectra - 20199

The Institute for Clean Energy Technology (ICET) at Mississippi State University is exploring the utility of machine learning in augmenting its mobile radiation surveying platforms, which are currently being developed as means to survey depleted uranium contaminated areas in support of remediation and decommissioning efforts. Mobile survey platforms provide a means to efficiently scan large areas of interest while reducing human exposure to radiation and other hazards. The survey platforms can also be used for scanning for any gamma emitting isotope in addition to depleted uranium. The spectral data that the platforms collect may be data starved with relatively low counts and poorly defined spectral features depending on the speed of the platforms and scintillation detector selection. Such data-starved spectra are difficult to use for isotope identification, requiring advanced knowledge of the possible radionuclides that could be present and environmental factors that could attenuate signals or introduce background noise. These factors in combination with the volume of survey data increases the time it takes to perform analysis of survey data when the source type is unknown. There are a number of algorithms in the field of machine learning that can be used to classify data that would be challenging and time-consuming for a human to identify. Supervised machine learning algorithms train models based on extensive amounts of human-labeled training data. Once sufficiently trained, these models can be used to quickly make high-fidelity predictions on new data. Convolutional neural networks are machine learning algorithms that excel in learning representations of 'shapes'. They do this by taking numerical input data and convolving them with spatial feature detectors referred to as filters. These filters are incrementally adjusted to reduce the prediction error on the data during the backpropagation step of training. Discussed in this paper is the development of a convolutional neural network classifier (CNNC) that can utilize spectral survey data for source discrimination and isotope identification. Bench-top laboratory experiments data using LaBr{sub 3}(Ce) scintillation detectors were used to train and evaluate the performance of the developed CNNC. The CNNC is capable of discriminating a variety of gamma emitting source types, differentiating different forms of uranium (depleted vs. natural), and estimating the amount of uranium for a known geometry. The discussed CNNC may be useful in scenarios where survey systems are deployed in situations where hazardous radioactive material maybe present, but the type is unknown. When used in remediation applications the CNNC can be used to screen-out false positives, helping reduce remediation costs. (authors)

07 ISOTOPE AND RADIATION SOURCES↗