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At least 613 records · Page 34

Composite-dimensional topological codes with boundaries and defects

We introduce new algorithms and provide example constructions of stabilizer models for the gapped boundaries, domain walls, and 0D defects of Abelian composite-dimensional twisted quantum doubles. Using the physically intuitive concept of condensation, our algorithm explicitly describes how to construct the boundary and domain-wall stabilizers starting from the bulk model. This extends the utility of Pauli stabilizer models in describing nontranslationally invariant topological orders with gapped boundaries. To highlight this utility, we provide a series of examples, including a new family of quantum error-correcting codes where the double of ℤ4 is coupled to instances of the double semion (DS) phase. We discuss the codes' utility in the burgeoning area of quantum error correction with an emphasis on the interplay between deconfined anyons, logical operators, error rates, and decoding. We also augment our construction, built using algorithmic tools to describe the properties of explicit stabilizer layouts at the microscopic lattice level, with dimensional counting arguments and macroscopic-level constructions building on pants decompositions. The latter outlines how such codes' representation and design can be automated. Our results are validated by a series of error-correcting threshold calculations comparing our codes' performance with that of standard surface codes. To do so, we introduce a composite-dimensional belief-propagation decoder with ordered statistics that utilizes combination sweeps. Going beyond our worked-out examples, we expect our explicit step-by-step algorithms to pave the path for higher-dimensional codes to be discovered and implemented in near-future architectures that take advantage of various hardware platforms.

Mousa, Mohamad [Purdue University]↗

Mesoscale Science Data Analytics

This is software that will be used to do data analytics in experimental workflows for x-ray mesoscale science. This tool set will provide a mechanism for supporting experiments in many ways, from collecting calibration information and raw data, to managing and viewing data to extracting crystallographic and physical parameters. It will eventually include development of a fully automated workflow that will include statistical information and prediction capabilities to support the scientists in decision-making and replanning their experiments when necessary.

Sweeney, Christine↗

PVmesh [SWR-24-123]

PVmesh is an open-source Python tool for generating high-fidelity, adaptive finite-element meshes for photovoltaic modules. It supports multilayer panel geometries, frame details, and mounting zones that are often difficult to mesh robustly with generic workflows. Built on Gmsh, PVmesh automates geometry construction, partitioning, domain/boundary tagging, and export for downstream finite-element solvers.

He, Xin [National Laboratory of the Rockies (NLR),↗

Optode Images, and Dissolved Oxygen Data from Sand and Sediment Flow-through Column Experiments associated with: "2-D Imaging of Dissolved Oxygen Concentration in Flow-Through Sediment Columns"

This data package is associated with the publication "2-D Imaging of Dissolved Oxygen Concentration in Flow-Through Sediment Columns" submitted to Frontiers in Water (Garayburu-Caruso et al., 2022). This work presents a novel application of planar optode technology to sediment columns that allows the study of well-constrained flow fields without the need to assume completely homogeneous flow. We introduce a flow-through column with the interior coated in an oxygen sensing film and a series of sampling ports as a unique tool capable of capturing changes in dissolved oxygen (DO) at high frequency (10 s) and spatial (< 1 mm) resolution across the length of a column. In addition, we provide custom scripts that allows image processing steps to be automated and consistently reproduced over a variety of experimental conditions. This dataset is comprised of four folders (1) 01_Riverbed_Sediment_Experiment, (2) 02_Sand_Experiment, (3) 01_Riverbed_Sediment_Raw_Images, and (4) 02_Sand_Experiment_Raw_Images. 01_Riverbed_Sediment_Experiment contains (1) a subfolder with csv files that contain statistical parameters from the linear regressions applied to each optode image, (2) a subfolder with csv files from DO data measured by in-line sensors, (3) a subfolder with csv files containing column and injection specific input parameters for the image processing script, and (4) a subfolder with scripts used to process the images and create associated figures. 02_Sand_Experiment contains (1) a subfolder with csv files containing column and injection-specific input parameters for the image processing script, and (2) a subfolder with scripts used to process the images and create associated figures. 01_Riverbed_Sediment_Raw_Images (spited in 3 parts due to size) contains a subfolder with raw red, and green images from the optode system during the MilliQ Injection, Vanillin Injection or Vanillin + Sampling Injection respectively. 02_Sand_Experiment_Raw_Images contains a subfolder with raw red, and green images from the optode system. Outside of the main folders there is a csv containing file-level metadata and a csv data dictionary defining column headers for all csv files contained in the data package.

54 ENVIRONMENTAL SCIENCES↗

Search for Electron Neutrino Anomalies with the MicroBooNE Detector

The Micro Booster Neutrino Experiment (MicroBooNE) is a Liquid Argon Time Projection Chamber (LArTPC) located in the Booster Neutrino Beam at Fermi National Accelerator Laboratory. The experiment was devised to investigate a series of observed anomalies concerning short-baseline neutrino oscillation physics. The LArTPC technology enables the experiment to study neutrino-argon scattering with unprecedented detail.This thesis presents a cosmic-ray characterisation and rate measurement. The understanding of cosmic activity in the detector - MicroBooNE's dominant background - is then used to develop cosmic rejection tools. A flavour-agnostic neutrino selection is constructed, which forms the cornerstone of this and further analyses. Inclusive muon and electron charged-current neutrino interaction selections with unprecedented purity and efficiency are presented.The first fully-automated characterisation of electron neutrinos in a muon neutrino beam with the LArTPC detector technology is performed. The Booster Neutrino Beam has an energy peaking around 1GeV and an intrinsic electron content of approximately 0.5%. The analysis investigates electrons produced in charged-current electron neutrino interactions. The kinematics of the electrons are measured along with comparisons to simulation. Most of the systematic uncertainties are constrained using a data-driven sample of charged-current muon neutrino events. The measurement of electron neutrinos originating from the Booster Neutrino Beam is a crucial component towards understanding the nature of the observed excess of low-energy electromagnetic-like events at its predecessor, MiniBooNE.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Advanced Computing, Data Science, and Artificial Intelligence Research Opportunities for Energy-Focused Transportation Science

The Energy Efficient Mobility Systems (EEMS) technology landscape is complex and rapidly evolving, which provides both tremendous opportunities and formidable challenges. Significant alterations to the mobility landscape are underway due to the advent of vehicle and infrastructure connectivity, autonomous driving, and rapid passenger- and freight-vehicle electrification. Advanced computing will play an increasingly important role in enabling the EEMS program to understand and identify the most important levers to improve the energy productivity of future integrated mobility systems. It is also driving new approaches to mobility and the research to unlock an affordable, efficient, safe, and accessible transportation future. Driving much of this change is the collection, analysis, and strategic use of massive amounts of diverse, complex data from infrastructure and vehicles with on-board sensors and data storage and transmission capabilities. Diverse and representative data are key to implementing approaches to maximize mobility energy productivity. While high-fidelity modeling of integrated transportation networks has strengthened our understanding of dynamic movement and behavior patterns, existing tools must be expanded beyond their current focus. This work necessitates data infrastructure investments (e.g., secure-streaming data platforms driven by ubiquitous sensors and video analytics) as well as investments in critical capabilities for large-scale automated analysis and organization using modern machine learning, statistics, and artificial intelligence. Other chief needs include agile, large-scale storage that can be quickly searched and queried for relevant data to support validation and model development, data-sharing agreements, and formatting standards for key data types. The future of public transit must be explored in greater detail, research must inform design, and opportunities must be identified for improving the mobility productivity of public transit in both urban and rural America.

33 ADVANCED PROPULSION SYSTEMS↗

A Modularized Urban Scale Building Energy Modeling Framework Designed with An Open Mind

In recent years, physics-based building energy modeling (BEM) has started being used to evaluate the performance of buildings in the context of connected communities and on an urban scale to study their aggregated energy use, interactions, and impacts on the energy supply infrastructure and environment. The development of urban-scale BEM solutions needs extensive effort. Existing attempts tend to focus on different aspects of BEM on an urban scale, such as collecting as-built building data from different information sources, integrating geometry modeling with geographic information systems (GISs), representing operational and occupancy profiles, automating workflow, processing and visualizing the results, and conducting large-scale simulations. Urban-scale BEM development would benefit from multi-disciplinary research areas and from an open platform to adopt advancements on data sources and tools. For these purposes, this research proposes a modularized bottom-up model creation and simulation framework that is built on the state-of-the-art BEM tools and can accommodate different building stock data. This framework uses a standardized schema to describe building design and operational characteristics, and it can be instantiated from different building survey datasets with heterogeneous structures. The paper demonstrates how thousands of surveyed buildings from the 2012 U.S. Energy Information Administration’s Commercial Buildings Energy Consumption Survey (CBECS) were one-to-one converted to EnergyPlus models through the schema and the model generation process, then simulated with distributed computing, and their results are summarized.

Lei, Xuechen↗

NRIC Asset Suite Engineering and Operations Data Integration Plan

The National Reactor Innovation Center (NRIC), established by the U.S. Department of Energy (DOE) in August 2019, accelerates the demonstration and deployment of advanced nuclear energy through its mission to inspire stakeholders and the public, empower innovators, and deliver successful outcomes through efficient coordination of partners and resources. NRIC is a national program led by Idaho National Laboratory (INL), enabling collaborators to harness the world-class capabilities of the U.S. National Laboratory System. Committed to demonstrating advanced reactors by the end of 2025, NRIC is designed to bridge the gap between research, development, and the marketplace to help convert some of the Nation’s most promising advanced nuclear reactors into commercial applications by 2030. To meet these needs, NRIC is developing two reactor demonstration test beds at Idaho National Laboratory (INL), the Laboratory for Operation and Testing in the United States (LOTUS) and the Demonstration and Operation of Microreactor Experiments (DOME) test bed. Each test bed involves the modification of existing facilities at INL’s Materials and Fuels Complex (MFC). Retrofitting these facilities to accommodate novel reactors, as well as subsequent but similar NRIC projects, is a non-trivial engineering task and is expected to generate a significant amount of new and revised documentation. Leveraging digital engineering practices, this documentation will be managed in a purpose-built data management tool to facilitate origination, review, and approval while coordinating with the design contractor. The subsequent upload and review of documentation to INL’s existing document control system comprises a long and unnecessarily manual task. An opportunity exists to automate this upload process and save job-hours while continuing to adhere to INL/MFC document management procedures.

99 GENERAL AND MISCELLANEOUS↗

Geothermal Power Systems Analysis: Outcome of Industry Stakeholders Workshop: Preprint

Geothermal cost and performance evaluation implemented via technoeconomic assessment (TEA) modeling is critical for the Department of Energy (DOE) and other geothermal industry stakeholders in assessing the current state of geothermal technologies and to identify existing hurdles to commercially viable geothermal development. The Geothermal Electricity Technology Evaluation Model (GETEM) is a major TEA tool used in estimating the economic feasibility and levelized cost of energy (LCOE) of conventional hydrothermal systems and enhanced geothermal systems (EGS). Since 2021, GETEM has been transitioning from an intricate spreadsheet model to a user-friendly tool within the System Advisor Model (SAM) developed by the National Renewable Energy Laboratory (NREL). Apart from enabling an expanded visibility of the geothermal model among other renewable resources, having GETEM in SAM has the advantage of simulation automation, better usability, updates tracking, active user inputs/feedback, and extended financial modeling. GETEM is used in developing supply curves for the Annual Technology Baseline (ATB). The ATB data are inputs to the Renewable Energy Potential (reV) and the Regional Energy Deployment System (ReEDS) models. The geothermal module in NREL’s reV model assesses the geothermal energy potential in the conterminous United States by defining the geospatial intersection of geothermal resources with existing grid infrastructure within the constraint of land use characteristics. The ReEDS model is a capacity expansion model used for simulating the long-term build-out and operation of the US generation and transmission system based on current energy costs and policies. To ensure enhanced representation of current industry trends in our model transitions and development, we organized a two-day virtual workshop to elicit geothermal industry stakeholder input and recommendations on our current approaches and assumptions on technoeconomic, resource assessment, and deployment scenarios modeling of geothermal technologies. Participants included developers, operators, investors, regulatory agencies, system modelers, national laboratory researchers, consultants, and other stakeholders. In this workshop, we gained stakeholder insights on current geothermal plant performance (i.e., capacity factors), updated drilling costs and learning curves, and next generation technologies such as closed loop and superhot rock geothermal. Other outcomes from this workshop and its impact on future geothermal development feasibility, resource availability, and capacity expansion studies are compiled and discussed.

Annual Technology Baseline↗

Geothermal Power Systems Analysis: Outcome of Industry Stakeholders Workshop

Geothermal cost and performance evaluation implemented via techno-economic assessment (TEA) modeling is critical for the U.S. Department of Energy (DOE) and other geothermal industry stakeholders in assessing the current state of geothermal technologies and to identify existing hurdles to commercially viable geothermal development. The Geothermal Electricity Technology Evaluation Model (GETEM) is a major TEA tool used in estimating the economic feasibility and levelized cost of energy (LCOE) of conventional hydrothermal systems and enhanced geothermal systems (EGS). Since 2021, GETEM has been transitioning from an intricate spreadsheet model to a user-friendly tool within the System Advisor Model (SAM) developed by the National Renewable Energy Laboratory (NREL). Apart from enabling an expanded visibility of the geothermal model among other renewable resources, having GETEM in SAM has the advantage of simulation automation, better usability, updates tracking, active user inputs/feedback, and extended financial modeling. GETEM is used in developing supply curves for NREL's Annual Technology Baseline (ATB), which provides inputs to the Renewable Energy Potential (reV) and the Regional Energy Deployment System (ReEDS) models. The geothermal module in NREL's reV model assesses the geothermal energy potential in the conterminous United States by defining the geospatial intersection of geothermal resources with existing grid infrastructure within the constraint of land use characteristics. The ReEDS model is a capacity expansion model used for simulating the long-term build-out and operation of the U.S. generation and transmission system based on current energy costs and policies. To ensure enhanced representation of current industry trends in our model transitions and development, we organized a two-day virtual workshop to elicit geothermal industry stakeholder input and recommendations on our current approaches and assumptions on techno-economic, resource assessment, and deployment scenarios modeling of geothermal technologies. Participants included developers, operators, investors, regulatory agencies, system modelers, national laboratory researchers, consultants, and other stakeholders. In this workshop, we gained stakeholder insights on current geothermal plant performance (i.e., capacity factors), updated drilling costs and learning curves, and next-generation technologies such as closed-loop and superhot rock geothermal. Other outcomes from this workshop and its impact on future geothermal development feasibility, resource availability, and capacity expansion studies are compiled and discussed.

annual technology baseline↗

Resilience Development for Electric Energy Delivery Sytems (ResDEEDS): A Tool for Power System Resilience Planning (Rev. 1)

The INL Resilience Framework is built to be customized to a particular system’s characteristics, resilience goals, and hazards that it is likely to face. The challenge with a framework that is built to be customized is that it requires more effort from the user to understand the framework and apply it correctly to a particular system. The goal of the web application described here is to automate the framework application as much as possible. Inputs from users are standardized into a common format, but the modeling platform used is a modular framework built to adapt to any system. Baseline effects from common hazards are programmed with stochastic variables to allow for quick exploration of hazard impacts, but can be customized down to component-level impact if a user desires a high level of detail and specificity.

17 WIND ENERGY↗

OFraMP: a fragment-based tool to facilitate the parametrization of large molecules

Abstract An Online tool for Fragment-based Molecule Parametrization (OFraMP) is described. OFraMP is a web application for assigning atomic interaction parameters to large molecules by matching sub-fragments within the target molecule to equivalent sub-fragments within the Automated Topology Builder (ATB, atb.uq.edu.au) database. OFraMP identifies and compares alternative molecular fragments from the ATB database, which contains over 890,000 pre-parameterized molecules, using a novel hierarchical matching procedure. Atoms are considered within the context of an extended local environment (buffer region) with the degree of similarity between an atom in the target molecule and that in the proposed match controlled by varying the size of the buffer region. Adjacent matching atoms are combined into progressively larger matched sub-structures. The user then selects the most appropriate match. OFraMP also allows users to manually alter interaction parameters and automates the submission of missing substructures to the ATB in order to generate parameters for atoms in environments not represented in the existing database. The utility of OFraMP is illustrated using the anti-cancer agent paclitaxel and a dendrimer used in organic semiconductor devices. Graphical abstract OFraMP applied to paclitaxel (ATB ID 35922).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Comparison of automated chemical-guided segmentation and human annotation of soil organic matter in X-ray microcomputed tomography imaging in contrasted soil types

Soil organic matter (OM) formation and persistence is strongly influenced by the spatial distribution of organic substrates and microscale soil heterogeneity by dictating OM accessibility to microorganisms. However, traditional size and/or density fractionation techniques disrupt aggregate architecture, eliminating spatial information needed to fully understand intra-aggregate OM distribution. To quantify three-dimensional OM spatial distribution and automate segmentation in X-ray microcomputed tomography (µCT) imaging without human annotation bias, we developed an iodine gas vapor (I2) based staining workflow that eliminates labor-intensive manual annotation while maintaining segmentation accuracy, using aggregates from four taxonomically diverse soils (Xerofluvent, Haploxeroll Sphagnofibrist, Palehumult) with an 8-fold range of soil organic carbon. Human annotation of 10 µCT slices by the experienced and inexperienced annotators resulted in variations up to 3% in the Dice similarity coefficient (DSC), reflecting a degree of inherent subjectivity of manual labeling. Such inconsistencies are expected to compound as the number of manually annotated slices increases. Dual-energy µCT imaging at 33.1 keV (below the iodine (I) K-edge) and 33.2 keV (above the I K-edge) was used to resolve aggregate microstructure following I2 staining. The automated image subtraction pipeline identified OM regions by the I Kedge induced brightness increases, achieving DSC values of 0.58–0.83 relative to an experienced annotator. Sensitivity analyses revealed that the reconstruction alpha value—optimized via the open-source tool TomocuPy—and the 3D registration slice count were the primary determinants of accuracy, providing a novel benchmark for dual-energy soil imaging. The pipeline without GPU acceleration achieved 9.6 to 43.2 times faster than manual annotation. Using GPU-accelerated image post-processing and affine transformation matrices, the pipeline successfully segmented OM elements for large-scale datasets (3232×3232 pixel, 2048 slices) within ~5200 s from raw file acquisition to segmented output. The high-throughput approach enables the quantification of OM spatial distribution across diverse and heterogeneous soil.

Soil microbial biomass↗

Production Operations Management System (POMS) for Fermilab Experiments

The Production Operations Management System (POMS) software allows production teams and analysis groups across multiple Fermilab experiments to launch, modify and monitor large scale campaigns of related Monte Carlo or data processing jobs, and currently manages the majority of production computing of experiments at Fermilab.POMS provides a web service interface that enables automated job submission on distributed resources according to customers’ requests, as well as subsequent monitoring of those submissions as well as recovery of failed submissions, debugging and record keeping.POMS interfaces with existing HEP data access, processing, movement and monitoring tools at Fermilab, including Jobsub (for job submission), SAM (for data management), and Landscape (for monitoring), and in combination with them handles the creation of intermediate datasets of files for multistage campaigns.POMS visualizes these campaigns with an interactive GUI interface. An important feature of POMS is a one-to-one connection between the GUI campaign visualizer and a text based representation of the complete campaign configuration. An extensible library of template campaign configurations is available. The templates are user modifiable and map cleanly to and from the GUI description of the campaign.This paper will discuss the current usage, history, and some technical details of POMS, as well as planned future extensions, particularly interfacing with Rucio as well as SAM for file movement.

Mengel, Marc↗

DOE COVID-19 Data Curation Effort: Overview of Initial Data Collection Coverage (March - June 2020)

During the COVID-19 pandemic of 2020, major case reporting outlets quickly coalesced around two or three primary vendors. Johns Hopkins University and The New York Times were among the more prominent, and all were of great value to the nation, particularly during the uncertain early stages of the pandemic. They primarily focused on three major attributes: number of new cases, deaths, and recovery, but only at the state level. Recognizing that many states were reporting very detailed data sets (e.g., hospital beds) at a count level or finer, the ORNL Pandemic Modeling team embarked on a major data curation effort from March to June 2020 for the purpose of capturing this wealth of detailed data. The challenge of curating this data was daunting. The number of attributes reported by the states grew on almost on a weekly basis. States were routinely shifting their web tool strategies away from easily parsable HTML-based formatting to new Tableau and ArcGIS content. This growth in the sheer number of attributes combined with the unpredictable shifts in data format meant an aggressive and agile combination of automated scripting and manual scraping was required to capture new daily streams. To keep up, the team had to scale up staff and widen its approach for capture and storage. The DOE COVID-19 data collection effort resulted in over 11 million data points being collected, covering over 13,000 unique geographies and over 2,000 unique attributes that spanned predominantly from early March through the end of June 2020.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Community-Centric Microgrid Feasibility Analysis Framework to Accelerate Resilience of Island Communities

Marine energy offers a reliable energy solution for island and coastal communities, which often lack traditional local generation, to support their transition to energy independence and reduce reliance on externally imported fuels. Successful deployment of new technologies in these isolated locations requires community acceptance and approval from the outset, as these communities typically lack the financial and technical resources to operate and maintain new systems. This report presents a community-centric microgrid planning framework for remote coastal and island communities. Community engagement is integrated as the first step in the planning process, incorporating community profiles and visions into energy development scenarios. A case study was conducted in St. George, Pribilof Islands, Alaska, which relies entirely on diesel yet has significant wind and wave energy potential. Community engagement revealed a unique history and current economic status, with an interest in adopting advanced energy technologies despite past failures. Various microgrid configurations were optimized, considering different technologies to meet current and future energy needs while balancing cost and energy resilience. Wave energy converters (WECs) were a key component, integrated with other energy sources using the Xendee optimization tool. The Marine Energy Microgrid Toolkit, developed as part of this work, uses commercial power system analysis tools to optimize and analyze microgrid scenarios. The developed framework and toolkit can be applied to island and coastal communities to enhance resilience and support microgrid deployments. Future enhancements will include incorporating new marine resources, developing dynamic models, and automating the integration of Xendee and PowerFactory simulations.

02 PETROLEUM↗

Open Building Operating System: An Open-Source Grid Responsive Control Platform for Buildings

Grid-interactive efficient buildings (GEBs) with flexible loads are a promising method to decarbonize buildings, shift loads during peak hours, and lower energy use and electricity costs. Despite the promising benefits of GEBs, automation systems that manage flexible loads in response to energy prices or other grid signals are still uncommon in small and medium commercial buildings. Recent literature demonstrates such control solutions, but they often rely on custom integrations lacking the tools and drivers needed for scalability. To address these gaps, our team has created a fully open-source software stack capable of integrating heterogeneous flexible building loads and implementing integrated portable control applications called the Open Building Operating System (OpenBOS). The software can be deployed over existing control architecture with a small capital cost. OpenBOS leverages semantic models, which have been the subject of recent investigations to facilitate application portability. The use of semantic data reduces the labor and expense required to deploy and update smart control applications, increasing scalability. In this paper, the semantic modeling schema "Brick" was used, but the proposed approach can also be applied to ASHRAE standard 223P, when released. This paper describes the methodology and software components of OpenBOS and demonstrates its functionality with a rule-based demand flexibility control application configured using a semantic model. This application was tested at a real building in NY that uses a dual-fuel heating system made up of five ductless heat pump mini-splits and a central furnace serving a single zone. The demonstration reduced electricity costs at the site by 27%, demand during a shed event by 49%, and furnace usage by 35%.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Energy Management Information Systems Cybersecurity Best Practices

Energy management information systems (EMIS) are a broad and rapidly evolving family of tools that monitor, analyze, and control building energy use and system performance. Critical systems are often integrated with or operate on the same networks as EMIS scope systems, necessitating stable, continuous, and secure communication. When connecting EMIS to building automation and utility control systems, there are also many physical assets that could cause harm to the building and its occupants if a malicious act or human error were introduced. It is imperative to ensure all EMIS scope systems are connected securely to the EMIS and do not open vulnerable pathways to other facility networks and operations. The Federal Energy Management Program (FEMP) promotes best practices for impactful utilization of EMIS at federal facilities. This best practice document is part of a series of fact sheets created to help accelerate the market adoption and use of EMIS in the federal sector. It provides an overview of required EMIS cybersecurity standards for compliance and authority to operate along with additional recommendations.

cybersecurity↗