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DOE OSTI2022

Advancing Vision-based Feedback and Convolutional Neural Networks for Visual Outlier Detection

Machine learning has matured into a technology that has immediate applicability to the surveillance needs of nuclear material storage containers. These containers at LANL are the barrier preventing release of radioactive material to the workers, public, and environment during the storage period of the material. Annual surveillance activities can only provide coverage on a handful of containers. There is a significant need for surveillance tools to identify potential issues and precursors to containment failure that can be used during opportunistic inspections and, more generally, outside of annual surveillance activities. In this report we provide details on the advancement of our proposed embodiment that combines an automation system for taking pictures and a high-accuracy machine learning-driven object detection software. We further showcase the improvements on the software side with progress on extracting unique identification features and advances in detecting damage. The current state of the system captures subject matter expert training and a space-conscious design whose implementation is envisioned in the near future.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

DOE OSTI2026

REV-INR: Regularized Evidential Implicit Neural Representation for Uncertainty-Aware Volume Visualization

Applications of Implicit Neural Representations (INRs) have emerged as a promising deep learning approach for compactly representing large volumetric datasets. These models can act as surrogates for volume data, enabling efficient storage and on-demand reconstruction via model predictions. However, conventional deterministic INRs only provide value predictions without insights into the model’s prediction uncertainty or the impact of inherent noisiness in the data. This limitation can lead to unreliable data interpretation and visualization due to prediction inaccuracies in the reconstructed volume. Identifying erroneous results extracted from model-predicted data may be infeasible, as raw data may be unavailable due to its large size. To address this challenge, we introduce REV-INR, Regularized Evidential Implicit Neural Representation, which learns to predict data values accurately along with the associated coordinate-level data uncertainty and model uncertainty using only a single forward pass of the trained REV-INR during inference. By comprehensively comparing and contrasting REV-INR with existing well-established deep uncertainty estimation methods, we show that REV-INR achieves the best volume reconstruction quality with robust data (aleatoric) and model (epistemic) uncertainty estimates using the fastest inference time. Consequently, we demonstrate that REV-INR facilitates assessment of the reliability and trustworthiness of the extracted isosurfaces and volume visualization results, enabling analyses to be solely driven by model-predicted data.

Saklani, Shanu [Indian Institute of Technology, Ka↗

DOE OSTI2018

High-resolution 3D seismic acquisition at the Tomakomai CO2 storage project, offshore Hokkaido, Japan

Monitoring injected CO2 is an important part of assuring permanence of long term storage to mitigate atmospheric emissions. Three-dimensional (3D) seismic has been shown to be an effective technology for visualizing and measuring subsurface geology and fluids. In this study, we demonstrate the successful acquisition, processing and initial interpretation of a high-resolution 3D (HR3D) seismic survey in Tomakomai, offshore Japan, above an active offshore CO2 injection site. The successful deployment of this novel marine seismic monitoring technology validates HR3D as an appropriate characterization and monitoring tool for large- demonstration and commercial-scale offshore Carbon Capture and Storage (CCS) sites.

Carbon Capture and Storage (CCS)↗

DOE OSTI2017

High energy neutron transmission analysis of dry cask storage

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2018

Radiography of Dry Cask Storage for Used Nuclear Fuel

Since the U.S. currently only approves of storing used nuclear fuel in pools or dry casks, the demand for dry cask storage is on the rise due to the continuous operation of currently existing nuclear plants which are reaching or have reached the capacity of their used fuel pools. With the rising demand comes additional pressure to ensure the integrity of dry cask systems. Visual inspection is costly and man-power intensive, so alternative nondestructive testing techniques are desired to insure the continued safe and effective storage of fuel. Several approaches being investigated by the University of Florida and the larger multi-university Department of Energy (DOE) Nuclear Energy University Program (NEUP) Integrated Research Project (IRP) are gamma or neutron radiography, both transmission based and interior source emission. Additionally muon radiography is discussed. This work leverages the well-established techniques in medical image reconstruction and applies them to a significantly larger scale with additional considerations due to the dense nuclear materials which serves as effective shields for radiation. Emission source radiography relies on the radiation that is emitted from the used fuel. The main advantage of this technique is the passive nature of the measurement. The fuel is already emitting radiation and only detectors are needed. Transmission radiography uses an external source of radiation to penetrate the side of the cask. Challenges include selecting the external source spectrum to avoid overlap with the spectrum emitted from the fuel, and ensuring the radiation dose limits do not exceed those mandated by the Nuclear Regulatory Commission (NRC). Benefits of this technique include better understanding of the source location allowing for clear image reconstruction, and isolation of the signal from surrounding radiation sources. Muon radiography takes advantage of the natural background flux coming from the interaction of the atmosphere with cosmic radiation. The technique is particularly effective at interrogating large dense objects as the highly energetic muons have smaller cross sections than most typical sources and energies used in nuclear engineering. The various techniques are discussed individually then the conclusion compares them. Finally, future work is identified.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

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↗

DOE OSTI2016

A Model from the Mind to the Operating Facility - 16448

The reprocessing of Spent Magnox fuel has been undertaken at the Sellafield site in the United Kingdom (UK) for more than 50 years and is now entering the final few years of its operating programme. The age of this facility has resulted in additional operational challenges which have led to the need for a sustained programme of continuous improvement. It has therefore been necessary to assess what potential plant improvements are key to delivering a successful end to the operating programme. In 2003 the UK National Nuclear Laboratory (NNL) (then Nexia Solutions) worked with Sellafield Ltd to produce a visual discrete event simulation (DES) model. The DES approach models plant equipment (such as a storage pond crane or fuel element processing equipment), and the key processes that these items undertake. Process times, availability and process logic are all combined to provide a prediction of the plant performance. Through the use of 'what-if' scenarios, changes to any model parameter can be undertaken. The benefits of such an approach have been in the ability for Sellafield Ltd to understand which changes to make and which do not add value. This then allows the operating facility to focus the improvement programme on quantitatively underpinned benefits, thus increasing the potential to complete the reprocessing programme ahead of schedule, which is a key aim for Sellafield Ltd. Maximising the benefit of this model has required a close working relationship between NNL, Sellafield Ltd Technical and the Sellafield Ltd Operations teams to ensure that the model is using the correct information and is addressing the real issues at hand. Over the past 12 years many ideas have been assessed and three examples have been selected to demonstrate the range of use of the model, and the different approaches used to identify issues and opportunities, agree an approach and provide solutions. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2018

Slycat™ User Manual

Slycat™ is a web-based system for performing data analysis and visualization of potentially large quantities of remote, high-dimensional data. Slycat™ specializes in working with ensemble data. An ensemble is a group of related data sets, which typically consists of a set of simulation runs exploring the same problem space. An ensemble can be thought of as a set of samples within a multi-variate domain, where each sample is a vector whose value defines a point in high-dimensional space. To understand and describe the underlying problem being modeled in the simulations, ensemble analysis looks for shared behaviors and common features across the group of runs. Additionally, ensemble analysis tries to quantify differences found in any members that deviate from the rest of the group. The Slycat™ system integrates data management, scalable analysis, and visualization. Results are viewed remotely on a user’s desktop via commodity web clients using a multi-tiered hierarchy of computation and data storage, as shown in Figure 1. Our goal is to operate on data as close to the source as possible, thereby reducing time and storage costs associated with data movement. Consequently, we are working to develop parallel analysis capabilities that operate on High Performance Computing (HPC) platforms, to explore approaches for reducing data size, and to implement strategies for staging computation across the Slycat™ hierarchy. Within Slycat™, data and visual analysis are organized around projects, which are shared by a project team. Project members are explicitly added, each with a designated set of permissions. Although users sign-in to access Slycat™, individual accounts are not maintained. Instead, authentication is used to determine project access. Within projects, Slycat™ models capture analysis results and enable data exploration through various visual representations. Although for scientists each simulation run is a model of real-world phenomena given certain conditions, we use the term model to refer to our modeling of the ensemble data, not the physics. Different model types often provide complementary perspectives on data features when analyzing the same data set. Each model visualizes data at several levels of abstraction, allowing the user to range from viewing the ensemble holistically to accessing numeric parameter values for a single run. Bookmarks provide a mechanism for sharing results, enabling interesting model states to be labeled and saved.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2019

Evaluation of Geologic Carbon Storage Resource Estimates (SREs) of Cambrian Ordovician Units within the CarbonSAFE Prefeasibility Study Region Subtasks 4.2 and 4.3 – Topical Report

This report by the Indiana Geological & Water Survey (IGWS) assessed the storage resource estimate (SRE) of Cambrian-Ordovician stratigraphic units located within the CarbonSAFE prefeasibility area within the Illinois Basin. A comprehensive data set of wireline logs and petrophysical information was used. These data include core analysis for porosity and permeability, and existing well data including location and stratigraphic information. This report includes storage resource estimates (SREs) for four potential storage reservoirs (Upper Ordovician Trenton Limestone/Black River Group, Middle Ordovician St. Peter Sandstone, Lower Ordovician and Upper Cambrian Knox Supergroup, including a separate assessment for the lower Knox Potosi Dolomite. The resultant SREs volumes are displayed using georeferenced maps and boxplots. The latter allow for comparing data statistics (mean values and variability) between five methods employed for the SRE calculations. Differences observed in SRE results from the five methods are mainly attributable to differences in the data used for porosity in each method. ArcMap 10.5.1 software was used to portray SREs to help visualize spatial variance of estimates for each methodology, and more importantly, to highlight those areas having the greatest total storage potential estimates.

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2023

HERMES: A cyber-energy SAAS platform to provide real-time 2d and 3d interactive visualizations [SWR-23-15]

HERMES is a novel visualization SAAS platform for achieving real-time visualization of large-scale environments involving cyber-energy devices. The platform receives data from emulated environments which include physical hardware and network devices that represent a complex IT / OT system. The platform is capable of streaming, filtering, storing, and visualizing all data within the environment and scaling vertically and horizontally. This capability enables high fidelity visual analysis of events to be performed in real time as well as the collection and storage of historical data for forensic analysis.

Van Natta, Joshua↗

DOE OSTI2026

A Visual Understanding of Circular Dichroism Spectroscopy

Mapping chemical and structural properties to electronic and magnetic responses is critical to many applications such as quantum information science, where the precise storage and transmission of unique information is paramount. Specifically, constructing molecules and materials that provide strong polarized responses at tunable frequencies and with large anisotropies is key to optical processing of quantum information. Chiral molecules provide chiroptical response to circularly polarized light, making them attractive for quantum information science and other applications related to sensing, polarized photodetectors, and spintronics. Predicting a molecular design, a priori, with large anisotropies to circularly polarized light is challenging due to the complex interplay between electric and magnetic components of the optical response. In this work, we explore a visual representation of the electronic chiroptical response by decomposing the rotary strength into its constituent components. Here, we make use of the intuitive electronic oscillator framework to develop classical intuition regarding the rotary strength and its constituents. We explore three model chemical systems that exhibit local and global chirality. Our analysis reveals that local chirality necessarily exhibits competition between the local chiral center and chirality induced in other fragments of the molecule, resulting in both unexpected nonmonotonic trends and sign flips in chemically adjacent geometries. Furthermore, we can visually distinguish between local and global chirality via examination of the transition chiral tensor. Interestingly, we make strong connections to ferromagnetic and antiferromagnetic spin systems in that chiroptically inactive transitions exhibit antiferromagnetic-like alternating orbital patterns while active transitions show domain formation in an ferromagnetic-like alignment that produces a net chiroptical response.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Sandia Machine Learning Laboratory

Samlab provides a workflow and data storage for machine learning experiment inputs and outputs using mongodb, and a web service to manage, search, visualize, and analyze the results.

Shead, Timothy↗

DOE OSTI2019

High-resolution 3D marine seismic acquisition in the overburden at the Tomakomai CO2 storage project, offshore Hokkaido, Japan

Not provided.

Energy & Fuels↗

DOE OSTI2021

Favorable morphology and electronic conductivity of functional sublayers for highly efficient water splitting electrodes

Low electronic conductivities and improper morphologies of anode electrodes greatly limit the reaction area, catalyst utilization and efficiency in proton exchange membrane water electrolyzers. In this study, conductive sublayers with different conductivities and morphologies were introduced into anode electrodes in membrane-based water electrolyzers. In-situ and ex-situ investigation results showed that conductive sublayers (Au mesh and carbon nanotube (CNT) film) augmented the sheet conductivity of anode electrodes by up to 4000 times (from 2000 to 0.5 ohm square -1 ), and the ohmic resistance of water electrolyzers was reduced to 1/3 when inserting conductive sublayers. In addition, CNT film provided a higher electrochemical active area than Au mesh, because of favorable morphologies (large porosity and surface area) of CNT fibers on CNT films. Therefore, the current density of water splitting was increased by 3 times (from 4.55 mA cm -2 to 14.83 mA cm -2 ) at 2.5 V compared to a conventional anode electrode. Visualizations on bubble dynamics showed improved performances with conductive sublayers; this was mainly due to greatly increased number of reaction sites, highly spread reaction area (from 50 to 1000 um), and reduced activation overpotential. Therefore, a balance between high electronic conductivity and nanoporous morphology is essential to the anode electrode for larger reaction sites and areas in highly efficient water electrolyzers.

25 ENERGY STORAGE↗

DOE OSTI2024

Destructive Examination Protocol for 3013-Container-Package Storing Plutonium-Bearing Materials

The 3013-container-package consists of a convenience, inner and outer container and is used for long-term storage of plutonium-bearing materials. A destructive examination (DE) protocol has been developed to examine the container package visually and with microscopic aid to find any corrosion conditions that could result in the loss of the integrity of the container package over its lifetime. The DE protocol contains three main steps: initial container examination, helium (He) leak testing, and detailed imaging and analysis of the inner container closure weld region (ICCWR). The ICCWR has been determined to be bounding, defined as exhibiting worst case conditions for stress corrosion cracking (SCC) of the inner container. To assess SCC in the ICCWR, the inner container lid is cut into quarters and the weld and He-leak testing gasket are removed. Then a citric acid wash is performed to remove adherent chlorides from the ICCWR. The wash is then sent for analysis to determine the concentration of chlorides in the ICCWR. While the analysis for chloride concentration is being performed, the quarter sections are further sectioned into 1/8th subsections by cutting each section in half. These subsections are washed using nitric acid to remove corrosion products. Then each subsection is imaged using a Wide Angle 3-D Measurement System (WAMS). After analysis of microscope images for potential SCC, additional imaging can be performed, including subsurface imaging. After review, a determination is made of whether the container integrity may potentially affect the safe storage of the material.

container↗

DOE OSTI2022

GridDS: Data Science Toolkit for Energy Grid Data

According to the U.S. Energy Information Administration (EIA), the demand for energy is expected to increase 50% by the year 20501. While energy standards, such as the Institute of Electrical and Electronics Engineers (IEEE) Standard 1547, (Basso 2015) and monitoring with wide area management systems (WAMS) (Liu 2017, Zhou 2016) have enabled large scale data collection and storage, the application of this data in mitigating costs associated with increased consumer demand is an ongoing focus for energy research. This ubiquitous data collection presents a promising opportunity for machine learning and data science to improve efficiency of distributed energy resources (DERs). The GridDS software toolkit is designed to leverage advanced metering infrastructure (AMI), outage management systems data (OMS), Supervisory control Data Acquisition (SCADA), and geographic information systems (GIS) to forecast future energy demands and detect incipient grid failures. GridDS is a python software library designed to be modular and generalizable to data recorded by DERs. In adapting to disparate datasets recorded by various WAMS, GridDS provides a range of unique functionality not presently implemented in current WAMS which have highly specific software infrastructure by design. GridDS functionality ranges from data specification and preparation, to training and validation for state of the art machine learning, to interactive data visualization. For data intake, GridDS combines: Pandera: a library for creating data specifications. TimeScaleDB: a postgresSQL database infrastructure for efficient storage of timeseries data. Dataset class: A custom dataset class / interface that ensures modularity between a range of synthetic and live recorded datasets. Is

Ladd, Alexander↗

DOE OSTI2025

Leveraging public AI tools to explore systems biology resources in mathematical modeling

Predictive mathematical modeling is an essential part of systems biology and is interconnected with information management. Systems biology information is often stored in specialized formats to facilitate data storage and analysis. These formats are not designed for easy human readability and thus require specialized software to visualize and interpret results. Therefore, comprehending modeling and underlying networks and pathways is contingent on mastering systems biology tools, which is particularly challenging for users with no or little background in data science or system biology. To address this challenge, we investigated the usage of public Artificial Intelligence (AI) tools in exploring systems biology resources in mathematical modeling. We tested public AI’s understanding of mathematics in models, related systems biology data, and the complexity of model structures. Our approach can enhance the accessibility of systems biology for non-system biologists and help them understand systems biology without a deep learning curve.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2018

Scalable Data Management, Analysis, and Visualization (SDAV) Institute

Analytics-driven data layout optimizations and compression (NCSU): We have developed solutions that address challenges related to scientific data indexing, compression, and storage layout problems. Moreover, in addition to focusing on mainstream uniform mesh data, we have also addressed Adaptive Mesh Refinement (AMR) data.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗