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DOE OSTI2025

WELLS Interactive Application

The Wellbore Exploration and Location Logistic System (WELLS) Interactive Application is an interactive tool to enable easy exploration and visualization of the living national wellbore database (WELLS Database (https://edx.netl.doe.gov/dataset/wells_database)). The tool and underlying database were created and are maintained by the National Energy Technology Laboratory (NETL), providing visualization of the more than six million public wellbore records from more than 65 authoritative state, federal, and tribal resources. The WELLS Interactive Application serves up wellbore data from oil, gas, underground injection, research, geothermal, geotechnical, groundwater, and other types of wells in a single, standardized, unified system. In addition to the surface location of these wells, the underlying database combines select key attributes for features such as well age, depth, and operating status. The system also provides users with references back to the original sources used in this unified platform. The underlying data can be accessed through the WELLS Database: https://edx.netl.doe.gov/dataset/wells_database Additional Information: The WELLS Interactive Application (formerly titled CO2-Locate) enables visualization and access to the public wellbore records through an intuitive web-based mapping tool. The WELLS Interactive Application was designed to help users visualize, query, analyze, and download wellbore records. Public wellbore points are included as a layer in the Map page, called Public Wells. Additionally, a multivariate hexagon grid summarizing well density from proprietary well data, called Well Density, is included to identify data gaps between the public and proprietary well data. Filtering functionalities in the tool allow these two layers to be spatially filtered by state, county, or basin as well as by status, type, true vertical depth, and spud year. The WELLS Interactive Application also contains a Near Me tool can be used to search and explore wellbore data within a user-defined distance of a specified location on the map, which can also be downloaded. The Query tool allows users to query the selected or filtered wells in the Public Wells layer and export the data. For additional information on these tool functionalities, see the help documentation on the About page of the tool. Notes for Consideration: The Well Density layer provided in this application is derived from proprietary wellbore data, the records of which do not always contain values for key features (status, type, true vertical depth, or spud year). Therefore, data might not be available when layers are queried for all filter combinations. Additionally, visualizing layers and applying filters may take additional time to load (i.e., draw on the map) due to the large size of the data.

ccs↗

DOE OSTI2022

Legionella pneumophila modulates host energy metabolism by ADP-ribosylation of ADP/ATP translocases

The intracellular pathogen Legionella pneumophila delivers more than 330 effectors into host cells by its Dot/Icm type IV secretion system. Those effectors are essential for the biogenesis of the Legionella-containing vacuole (LCV) that permits its intracellular survival and replication. It has long been documented that the LCV is associated with mitochondria and a number of Dot/Icm effectors have been shown to target to this organelle. Yet, the biochemical function and host cell target of most of these effectors remain unknown. Here, we found that the Dot/Icm substrate Ceg3 (Lpg0080) is a mono-ADP-ribosyltransferase that localizes to the mitochondria in host cells where it attacks ADP/ATP translocases (ANTs) by ADP-ribosylation and blunts their ADP/ATP exchange activity. The modification occurs on the second arginine residue in the -RRRMMM- element, which is conserved among all known ADP/ATP carriers from different organisms. Our results reveal modulation of host energy metabolism as a novel virulence mechanism for L. pneumophila.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

Case Study: Applying the Idaho National Laboratory Resilience Framework to St. Mary’s, Alaska

The Idaho National Laboratory (INL) resilience framework has been developed to broadly apply to EEDS so that all elements of systems that contain distributed wind can be part of the resilience evaluation. The users or audience for this framework can include any stakeholders associated with the EEDS. Not all electrical energy systems have the same stakeholders; customers, owners, and operators are generally present but have different interests. Considering the broad electrical grid, customers, regulators, investors, utility planners, engineers, and operators each have an interest in system resilience driven from different motivating factors. This document focuses on the planning stage of the framework. In this document, each step is explained briefly before demonstrating its application to the St. Mary’s-Mt. Village system. The framework can be used for many types of resilience planning. It can be used to evaluate current overall resilience, or the resilience of certain subsystems. It can be used to explore existing resilience weak points and propose mitigations. It can also be used to evaluate the resilience benefits of a new investment. We use the latter application for this case study. Although the wind turbine in St. Mary’s has already been installed, the resilience benefits that the turbine provided were not well defined. It was installed with the main objective to generate electric power from a renewable resource in an effort to reduce the local dependency on fuel oil as the sole source of electric power generation, which is a resilience goal on its own, but there are other ways in which the turbine can add resilience to the system, as well as scenarios of interest to analyze how resilient the wind turbine itself is against different hazards. In this case study, we analyze the operation of the St. Mary’s power system both with the wind installed and without the wind installed during different resilience hazards of interest. This allows us to compare the performance with wind and without wind and to quantify the resilience benefits provided by wind. Our MIRACL partners at PNNL will then take the resilience benefits and assign value to the resilience provided by wind based on costs and costs avoided in the different scenarios.

17 WIND ENERGY↗

DOE OSTI2019

The Belle II Physics Book

The Belle II-Theory interface Platform (B2TiP) was created as a physics prospects working group of the Belle II collaboration in June 2014. It offered a platform where theorists and experimentalists work together to elucidate the potential impacts of the Belle II program, which includes a wide scope of physics topics: B physics, charm, τ, quarkonium physics, electroweak precision measurements and dark sector searches. It is composed of nine working groups (WGs), which are coordinated by teams of theory and experiment conveners: WG1) Semileptonic and leptonic B decays, WG2) Radiative and Electroweak penguins, WG3) φ1 and φ2 (time-dependent CP violation) measurements, WG4) φ3 measurement, WG5) Charmless hadronic B decay, WG6) Charm, WG7) Quarkonium(like), WG8) τ and lowmultiplicity processes, WG9) New Physics. We organised workshops twice a year from 2014 until 2016, which moved from KEK in Japan to Europe and the Americas, gathering experts in the respective fields to discuss with Belle II members. One of the goals for B2TiP was to propose so-called “golden- and silver-channels”: we asked each working group to choose among numerous possible measurements, those that would have the highest potential impact and to focus on them for the writeup. Theorists scrutinised the role of those measurements in terms of understanding the theory behind them, and estimated the theoretical uncertainties, now achievable as well as prospects for the future. For flavour physics, having tight control of hadronic uncertainties is one of the most crucial aspects in the field, and this is considered as an important criteria to determine the golden or silver-channels. Experimentalists, on the other hand, investigated the expected improvements with data from Belle II. For the channels where the errors are dominated by statistical uncertainties, or where systematic errors are reducible, the errors can decrease rapidly as more data becomes available. The impact of the upgraded performance from Belle II is a crucial element for reducing the uncertainties: we therefore include the latest available studies of the detector efficiency using Monte Carlo simulated events. We list the golden(silver)-channel table in this first chapter, as a guide for the chapters that follow. The book is not a collection of reports based on talks given at the workshops. The working group conveners endeavoured to construct a coherent document that can be used by Belle II collaborators, and others in the field of flavour physics, as a reference. There were two books of a similar type written in the past, “The BaBar book” [1] and “The Physics of the B factories” [2]. In order to avoid too much repetition with respect to those references, we refer to them as possible for introductory material. We would like to thank the section editors and contributing authors for the many stimulating discussions and their tremendous effort to bring the book together.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2025

Unlocking Scholarly Insights: Leveraging Machine Learning Approaches for Citation Analysis and Intent Classification

Publicly funded organizations, notably institutions like the Los Alamos National Laboratory (LANL), are deeply vested in acquiring robust productivity metrics to gauge the entirety of their research output. Motivated by the imperative to enhance institutional productivity assessment, this study investigates the utilization of Large Language Models (LLM) such as BERT-based models, as well as local LLaMa-30b-instruct and Mixtral-8x7b-instruct architectures for classifying type of URL referenced resources in academic papers such as software, dataset, as well as authorship intent. Challenges in discerning resource types from context are highlighted, along with the potential of BERT and LLMs to address these challenges. Through comprehensive analysis, this research unveils a notable surge in documents featuring URL citations, indicative of the escalating importance of digital resources in scholarly publications. Moreover, citations to datasets and software demonstrate consistent growth over time, underscoring their increasing significance. Our findings also reveal that LANL authors contribute substantially to accessible science, comprising about 10% of dataset and software mentions in LANL

Large Language Models, BERT, citation classificati↗

DOE OSTI2021

Matrix-Based Process Modeling in Microsoft Excel

The purpose of this document is to describe the theory and methodology of matrix-based process modeling and demonstrate its use through a generic process model within Microsoft Excel. This type of model allows a modeler to quickly query various metrics, such as total production time, for a specified production run. These matrix models tend to be quick to build and use, but come with certain limitations and are more suited for smaller processes.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Test Report for DPP-1 Regulatory Compliance Testing. Volume 1 - Main Report

Consolidated Nuclear Security, LLC (CNS), the management and operating contractor for the Y-12 National Security Complex (Y-12) for the National Nuclear Security Administration (NNSA), is currently responsible for the regulatory testing of a new Type B fissile material shipping package called the Defense Programs Package (DPP)-1. The DPP-1 is a drum packaging with an inner liner and a removable lid. Both the drum body and the lid are filled with an impact-limiting, thermal-insulating material that protects the inner containment vessel (CV) during normal conditions of transport (NCT) and hypothetical accident conditions (HAC) as defined by 10 US code of Federal Regulations (CFR) 71. In fiscal year 2021, the Oak Ridge National Laboratory (ORNL) Package Testing Program (PTP), located at the National Transportation Research Center (NTRC), conducted Type B performance tests as prescribed in Title 10 Code of Federal Regulations Part 71 (10 CFR 71) on seven DPP-1 prototype units. This test report documents test unit (TU) preparation, pretest condition, conditioning of each TU, NCT and HAC testing, and posttest measurements and observations made of the damage resulting from these tests.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2022

Generic National Nuclear Forensics Library Implementation

This document provides instructions for the database implementation for national nuclear forensic library (NNFL) using a relational database. While there are many software options that can be used to implement an NNFL database, in this document we reference an Oracle database for the implementation. The principles related here can be applied to any relational database structure. The design revolves around two main types of data: Samples and Results. Samples are materials or descriptions of materials; results are the results of analyses of those samples. All additional tables exist as a result of the normalization process. The remaining tables/entities have keys that are referenced by the Result/Sample tables via foreign key constraints. This allows for the enforcement of different relationships between the tables such as one-to-one, one-to-many, many-to-many. This process helps to ensure that valid data is entered, optimizes database performance and avoids data redundancies.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2025

AI for Interpreting Nuclear Power Plant Documents for Power Uprates

To reduce the cost and time needed for regulatory compliance, nuclear power plants (NPPs) can utilize artificial intelligence (AI) to assist in interpreting complex and voluminous documents that typically span thousands of pages. Usually, the process of interpreting a plant’s technical specifications (TSs) and associated documents is labor intensive. This study aims to understand what processes state-of-the-art large language models (LLMs) can automate and to identify the pitfalls associated with using LLMs to reduce human labor costs and time. This research uses a recent AI technology called retrieval augmented generation (RAG), which retrieves pages of information from TSs and associated documents to assist with NPP power uprates (cleared to produce more power). LLMs are integral to RAG because they create human-like responses based on the retrieved information, aiding in the interpretation and application processes. A baseline case demonstrates how LLMs can operate successfully for a power uprate application. Then five use cases show five types of potential failures: (1) RAG retrieving the incorrect information, (2) RAG misinterpreting the retrieved information, (3) RAG relying on knowledge not contained in the retrieved information, (4) RAG hallucinating, and (5) RAG refusing to answer. The results of the five use cases suggest that automating the human interpretation of TSs and associated documents with AI should be approached with caution. A subject-matter expert reviewed the AI outputs from the five use cases and concluded that an LLM can produce technical information that is needed to produce power uprate applications in certain instances.

21 - SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLAN↗

DOE OSTI2023

The variable influence of anthropogenic noise on summer season coastal underwater soundscapes near a port and marine reserve

Monitoring soundscapes is essential for assessing environmental conditions for soniferous species, yet little is known about sound levels and contributors in Oregon coastal regions. From 2017-2021, during June-September, two hydrophones were deployed near Newport, Oregon to sample 10-13,000Hz underwater sound. One hydrophone was deployed near the Port of Newport in a high vessel activity area, and another 17km north within a protected Marine Reserve. Vessel noise and whale vocalizations were detected at both sites, but whales were recorded on more days at the Marine Reserve. Median sound levels in frequencies related to noise from various vessel types and sizes (50-4,000Hz) were up to 6dB higher at the Port of Newport, with greater diel variability compared to the Marine Reserve. In addition to documenting summer season conditions in Oregon waters, these results exemplify how underwater soundscapes can differ over short distances depending on anthropogenic activity.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

An iterative learning and inference approach to managing dynamic cyber-vulnerabilities of complex systems

As modern systems become increasingly reliant on cyber-technologies and continue to be integrated with physical systems, managing risks from deliberate and non-deliberate sources is a significant research challenge. Unlike strictly physical systems, cyber-enabled physical systems are influenced by dynamic and evolving technologies, environments, and attack mechanisms. As a result, vulnerabilities are rapidly changing and difficult to detect and manage. While there is recent interest in the dynamic properties of performance through resilience analysis, limited research addresses the dynamic nature of cyber-system vulnerability. This paper presents a dynamic iterative learning approach to evaluate the state of health for systems as related to cyber-vulnerabilities. These time-varying system health characteristics may not be visible, but can be inferred using observable characteristics. The approach recognizes that multiple types of vulnerabilities need to be included in a holistic system health assessment. The methods are applied to the Common Vulnerability Scoring System database containing over 100,000 documented cybersecurity vulnerabilities. This work is the first to acknowledge the dynamic properties of cyber-vulnerability, while also inferring system health using observable data and hidden states of system health. This work will be of interest to managers of large-scale cyber-enabled physical systems who are seeking to prioritize system health investments.

Chatterjee, Samrat↗

DOE OSTI2025

Standardized nomenclature for photovoltaic connectors

Photovoltaic (PV) systems rely on discrete connectors for the efficient and safe flow of power from module to module and from strings to combiner boxes and inverters. Despite their functional importance, no common nomenclature for PV connectors currently exists, resulting in confusion and miscommunication. Misunderstood terms like "MC4 compatible", "cross-mating", "intermating", "female", and "male" can lead to installation and maintenance errors and compromise system reliability. We believe a standardized terminology will reduce confusion, help support installation best practices, aid in maintenance and repair, inform next-generation designs, and provide a technical basis for improved codes and standards. To that end, we are proposing a standardized glossary for 4 mm PV connectors (the most common type of connector used in PV applications) based on, and validated by, a Sandia National Laboratories' investigation that included the following sources: 1) a comprehensive review of official documents from 20 connector manufacturers, including schematics, datasheets, installation manuals, and catalogs, as well as relevant patents; 2) two rounds of surveys distributed to stakeholders, including connector manufacturers, engineers, asset owners, test labs, and researchers; and 3) visual examination of 25 different models of 4 mm single-pole DC PV connectors to document variations in design and functionality. This work provides a foundation for establishing a clear and consistent terminology for PV connectors that will in turn enable progress toward greater reliability and collaboration across the industry.

14 SOLAR ENERGY↗

DOE OSTI2024

MultiPEM Toolbox: User Manual [Rev. 2]

This document explains use of the Multi-Phenomenology Explosion Monitoring (Multi PEM) Toolbox, a collection of R scripts for estimating the unknown device parameters of a new event with uncertainty quantification. The methodology and application used for illustration in this user manual are fully documented in a Los Alamos National Laboratory technical report hereafter designated “WPA” for reference. Additional details on the application are found in a recent journal article. Two assessment types are available: rapid and complete. Rapid assessments are conducted in two stages, as described in Section 2. In the first stage, calibration data are used to estimate forward and error model parameters (WPA, §5.1) and (if relevant) errors-in-variables yield values for calibration sources (WPA, §3, Equation (3)). In the second stage, new event data are used to estimate the unknown new event device parameters (WPA, §5.2) with uncertainty quantification. Two options for treating the inferred first stage parameters in second stage Bayesian analysis are available: fixing them at their maximum likelihood estimate (default), or multiple imputation. Multiple imputation involves utilizing several posterior samples (imputations) of the first stage parameters as fixed values in the second stage posterior sampling of the new event device parameters. Second stage sampling is conducted across imputations in parallel to improve computational efficiency. This method produces improved uncertainty quantification of the new event device parameters compared with the default treatment of the first stage parameters, at the expense of additional computation. Complete assessments are conducted in a single stage, as described in Section 3. Calibration and (if relevant) new event data are used simultaneously to estimate all forward model, error model, and (if relevant) new event device parameters with uncertainty quantification on the latter. As the name suggests, rapid assessments generally run substantially faster than complete assessments (even with multiple imputation), because the results of first stage analysis can be stored and incorporated into estimating a relatively low-dimensional space of new event device parameters whenever relevant new event data becomes available. On the other hand, complete assessments must be run on the full set of model and device parameters with calibration and new event data every time the latter becomes available.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Review of In Situ Sensing for Directed Energy Deposition for Industrial Part Quality Assessment

As the use additive manufacturing (AM) processes continues to grow in critical industries, improved quality assurance methods are becoming increasingly sought after for qualification and certification of AM components. Traditional nondestructive evaluation of printed components is often unable to supply the required confidence in print quality to justify qualification and certification, but the layer-by-layer nature of AM provides unprecedented opportunities for in situ quality inspection. This document summarizes recent developments in process monitoring research specifically related to Directed Energy Deposition (DED). Particular attention is given to three aspects of the highlighted manuscripts: (1) the type of sensors used, (2) features extracted from each sensor modality, and (3) analysis of extracted features for AM quality assessment. Based on the review of the state-of-the-art, several observations have been made. First, none of the reviewed works have applied their trained models to real part geometries, with many of the works relying on single track experiments, thin-walled structures, and cubes. Similarly, there have not been any works demonstrating model generalizability, i.e., a model trained on data from one build allows for fruitful analysis of data from another build. Many works used machine learning techniques to distinguish different process regimes (i.e., normal, keyholing, lack-of-fusion), but very few papers have investigated stochastic variation in an already “optimized” process. Sensor fusion approaches are also limited in the DED sensing literature, but the few works that have employed such techniques have demonstrated the benefits. Finally, registration of in situ data to the build coordinate system is of paramount importance to producing industrially relevant in situ monitoring systems. Data registration allows direct correlations between process anomalies detected in the process monitoring data to localized departures in part quality, but such techniques are generally lacking in the current literature.

36 MATERIALS SCIENCE↗

DOE OSTI2026

MultiPEM Toolbox: User Manual

58 GEOSCIENCES↗

DOE OSTI2021

Evaluation of the Generation-2 Dechlorination Apparatus for Treating Salt Wastes

This document satisfies the requirements for two milestones, i.e., M2FT-21PN030103021 and M3FT-21PN030103026, which are described in detail below. Also, details for the work package at the Pacific Northwest National Laboratory (PNNL) are provided below. The goal of this milestone was to demonstrate the generation-2 dechlorination apparatus (G2DA) for removing Cl from chloride-based electrochemical salt simulants. The two salts chosen for this initial study were KCl to simulate a component from the eutectic salt (LiCl is harder to detect with analytical instruments) and CsCl to simulate a fission product chloride that might be present in these types of waste streams. The overall scope of this work included receiving, installing, and testing the G2DA. This new system was designed to address several shortcomings identified with the generation-1 apparatus (G1DA), which are described in detail within this document. The G2DA was designed to address all of these shortcomings. The studies presented in here show that the G2DA worked as intended and will help provide scaled-up batches for additional testing at Argonne National Laboratory.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2023

ComStock Reference Documentation (V.1)

The commercial building sector stock model, or ComStock™, is a highly granular, bottom-up model that uses multiple data sources, statistical sampling methods, and advanced building energy simulations to estimate the annual sub-hourly energy consumption of the commercial building stock across the United States. ComStock asks and answers two questions: how is energy used in the U.S. building stock and what are the impact of energy saving technologies. Specifically, ComStock identifies where energy is being consumed geographically, in what building types and end uses, and at what times of day. Simultaneously, it identifies the impact of efficiency measures: how much energy do efficiency measures save; where, or in what use cases do measures save energy; when, or at what time of day do savings occur; and which building stock segments have the biggest savings potential. This document contains the methodology and assumptions behind ComStock and serves as a guide to its use.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2021

Prevalence of typical operational problems and energy savings opportunities in U.S. commercial buildings

In the United States, as much as 30% of the 19 EJ that commercial buildings consume is considered excess. Much of the excess energy is due to the inability to manage building operations efficiently. Because almost 20% of the total primary energy consumption is associated with commercial buildings, significant energy reductions in this sector are needed to mitigate climate change. Therefore, many cities and states are mandating periodic “tune-ups” of these buildings to eliminate excess energy consumption. Although the benefits of tune-ups and retro-commissioning are clear, focusing these mandates to look for specific opportunities has been a challenge because of the lack of studies that document the prevalence of opportunities. Therefore, we analyzed building automation system data from 151 buildings across the United States to document common operational problems and opportunities to improve building operations. This analysis showed that opportunities to improve building operations exist in almost every building. These opportunities were not strongly correlated with building vintage or size, but were reflective of how the buildings are operated. The prevalence of the top 20 opportunities ranged between 74% and 23%, with 40% of these associated with air-handling units. The rest of the opportunities are associated with schedules, chilled and hot-water distribution, and zone controls. Of the 151 buildings, 69 of them implemented corrective actions of some or all opportunities that were identified. Implementation varied across the Re-tuning categories, with 60% for schedule opportunities, 50% for zone opportunities, over 40% for the air-handling unit and hot-water opportunities, and 35% of the chilled-water opportunities. There was wide variation in whole building energy savings, ranging from 0 to 50% and 0 to 18 $/m2 with median percent annual whole building savings of 12% and median normalized annual cost savings of $1.75/m2. In addition to documenting these key findings, the paper provides a list of opportunities that can be automatically and continuously identified and corrected and offers a list of those opportunities that should be the focus of the mandates.

Katipamula, Srinivas↗