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PV Validation Hub

The Validation Hub will be a clearinghouse for the transfer of novel algorithms and software from the PV research community to industry. Potential algorithms tested in the Hub could include the estimation of various PV loss factors and the detection of various operational issues. The primary function of the Hub will be for developers to submit executable code which will run on hosted data sets. Developers will receive private reports on the accuracy and performance (e.g., run-time) of the submitted algorithms, and public high level summaries will be hosted. These summaries will indicate the organization who submitted the algorithm (e.g., links to GitHub pages, documentation websites, etc.), high-level accuracy metrics, and standardized performance metrics. These results will be stored in a publicly available database, accessible through the Hub, with the ability for users to sort and filter the results. In short, the Hub will be presented to public users as a collection of interactive leaderboards, organized around specific analysis tasks pertinent to the PV data science community. These tasks include things such as the estimation of various PV loss factors and the detection of various operational issues. We will present progress on the development of this hub, including preliminary results of comparative validation of PV data science algorithms and progress towards building the platform itself.

algorithm↗

Interactive Mobility Landscape App

This is the companion repository to NREL's Interactive Mobility Data Landscape (SEE: DOE Code ID 61284. NREL SWR-21-09). The landscapeapp is an upstream NPM module that supports building interactive landscape websites such as the CNCF Cloud Native Landscape (source) and the LF Artificial Intelligence Landscape (source). The application is managed by Dan Kohn of CNCF and is under active development by Andrey Kozlov (who did most of the development to date, 9/13/2021) and Jordi Noguera.

Shankari, Kalyanaraman↗

NSUF 2016 Annual Report

The Nuclear Science User Facilities (NSUF) and its partner facilities represent a prototype laboratory that utilizes a distributed partnership, with each facility bringing exceptional capabilities to the relationship including reactors, beamlines, state-of-the-art instruments, hot cells, and equally important, expertise. These capabilities and people together create a nationwide infrastructure that allows the best ideas to be tested using the most advanced capabilities. Through the NSUF, researchers and their collaborators are building on current knowledge to better understand the complex behavior of materials and fuels in a nuclear reactor. The NSUF’s partnership program in 2016 included eight universities, one research and education consortium, three national laboratories, and one industry partner. The avenues opened through these partnerships facilitate cooperative research across the country, matching people with capabilities and students with mentors. The NSUF in 2016 included Idaho National Laboratory (INL) and the following institutions: • Argonne National Laboratory • Center for Advanced Energy Studies (a research and education consortium between Boise State University, INL, Idaho State University, University of Idaho, and University of Wyoming) • Illinois Institute of Technology • Massachusetts Institute of Technology • North Carolina State University • Oak Ridge National Laboratory • Pacific Northwest National Laboratory • Purdue University • University of California, Berkeley • University of Michigan • University of Nevada, Las Vegas • University of Wisconsin • Westinghouse Materials Center of Excellence. This report contains details on new capabilities brought into the NSUF in 2016, the evidence of the increasing research facilitated by the NSUF, and new tools and activities to propel nuclear research and development forward to meet energy reliability and security needs. Learn about the NSUF Nuclear Fuels and Materials Library and the Nuclear Energy Infrastructure Database, and how the robust NSUF website continues to evolve to support new tools. Read about how the NSUF supports Department of Energy (DOE) missions through efforts like the 2016 NSUF Ion Beam Options Workshop, which led to a prioritiza-tion of ion beam facilities according to their ability to support Department of Energy Office of Nuclear Energy (DOE-NE) missions.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

National Wind Technology Center-Characterization of Atmospheric Conditions

Data provided by the instrumentation located at the National Wind Technology Center (NWTC) is compiled below for the purposes of characterizing the atmospheric operating conditions at the National Renewable Energy Laboratories (NREL) wind site. Conditions are presented conditioned on month of the year to show seasonal variation, and based on characteristic quantities seen in the atmospheric flow including, bulk wind speed, direction, and atmospheric stability. All data reported and analyzed in the following document were collected from instrumentation mounted on the 135 m-tall masts erected at the NWTC near Boulder, Colorado. Each of the two met-masts (named M4 and M5) were sited specifically to measure the inflow wind to several of the utility-scale turbines at the NWTC. The construction, operation, and maintenance of the masts has been supported since their commissioning in 2011 by the Department of Energy, Office of Energy Efficiency and Renewable Energy, Wind and Water Power Program. Data from the masts are publicly available for download or basic visualization, hosted on NREL's website (https://nwtc.nrel.gov/135mData). Data from the masts have been used in the past for a wide range of projects including wind turbine power performance measurements, high fidelity model development and validation, and atmospheric science research. An interactive visualization platform has been developed on NREL's Open Energy Information platform and can be used to reproduce many of the graphics included in the current work. This report describes in detail the atmospheric conditions recorded by M5, the inflow mast for the DOE-owned GE 1.5 MW wind turbine. The report focuses on data recorded from August 2012 to May 2018 and includes: an introduction to the wind climate at the NWTC; a physical description of the met masts; a review of installed instrumentation; and data collection, processing, and quality control methods. In addition to a concise description of the instrumentation from the met masts and the data channels they provide, this report characterizes the behavior of the atmospheric resource first in a cumulative sense, discussing mainly the distributions wind speeds, flow directions and thermodynamic properties at several heights along the towers. Periodicity in atmospheric conditions is then detailed through analysis of diurnal and annual cycles of the data streams. Periods of both low turbulence and extreme atmospheric events that are of interest in terms of wind turbine operation and wind energy research are detailed in the final chapter of this report. Low turbulence events are somewhat rare at the NWTC and are of interest from the perspective of validating the operation of new wind turbine and blade designs. Similarly, the NTWC is known for a relatively higher rate of occurrence of extreme weather events.

17 WIND ENERGY↗

U.S. Hydropower Market Report 2023

This is the fourth complete edition of the U.S. Hydropower Market Report (the previous editions, published in 2015, 2018, and 2021, are available here). In intervening years between publishing the full report, updated data are also summarized and released and can be found at the Oak Ridge National Laboratory HydroSource website. This report combines data from public and commercial sources and research findings from other U.S. Department of Energy (DOE) R&D projects to provide a comprehensive picture of developments in the U.S. hydropower and pumped storage hydropower (PSH) fleet and industry trends. Prior to the first Hydropower Market Report being published, there was a noted lack of publicly available and easily accessible information about hydropower in the United States and other important trends affecting this important sector of the energy industry. New and valuable types of information are constantly being developed as part of DOE research activities and, in a rapidly evolving energy industry, it is important that these data be made available in a predictable and consistent manner for use by all different types of stakeholders and decision-makers.

13 HYDRO ENERGY↗

BindingDB in 2024: a FAIR knowledgebase of protein-small molecule binding data

Abstract BindingDB (bindingdb.org) is a public, web-accessible database of experimentally measured binding affinities between small molecules and proteins, which supports diverse applications including medicinal chemistry, biochemical pathway annotation, training of artificial intelligence models and computational chemistry methods development. This update reports significant growth and enhancements since our last review in 2016. Of note, the database now contains 2.9 million binding measurements spanning 1.3 million compounds and thousands of protein targets. This growth is largely attributable to our unique focus on curating data from US patents, which has yielded a substantial influx of novel binding data. Recent improvements include a remake of the website following responsive web design principles, enhanced search and filtering capabilities, new data download options and webservices and establishment of a long-term data archive replicated across dispersed sites. We also discuss BindingDB’s positioning relative to related resources, its open data sharing policies, insights gleaned from the dataset and plans for future growth and development.

Liu, Tiqing↗

PDB‐101: Molecular Explorations through Biology and Medicine

PDB‐101 is an online portal for teachers, students, and the general public to promote exploration of the structural biology of proteins and nucleic acids ( pdb101.rcsb.org ). Learning about the diverse shapes and functions of these biological macromolecules helps to understand all aspects of biomedicine and agriculture, from protein synthesis to health and disease to biological energy. Why PDB‐101? Researchers around the world are studying these molecules at the atomic level. These 3D structures are freely available at the Protein Data Bank (PDB), the central storehouse of biomolecular structures. This website builds introductory materials to help beginners get started in the basics of biomolecular structure and function (“101”, as in an entry level course) as well as resources for extended learning. Since 2011, PDB‐101 has been developed by the RCSB PDB , a global resource for the advancement of research and education in biology and medicine. Along with our Worldwide PDB collaborators, RCSB PDB curates, annotates, and makes publicly available the PDB data deposited by scientists around the globe. The RCSB PDB then provides a window to these data through a rich online resource with powerful searching, reporting, and visualization tools for researchers. This information is then streamlined for students and teachers at PDB‐101. Features include the ongoing Molecule of the Month series, educational materials such as paper models, posters, molecular animations, educational curricula and more. The section “Guide to Understanding PDB Data” is a primer for detailed PDB‐specific information: PDB Data, Visualizing Structures, Reading Coordinate Files, scientific methods for structure determination, and more. PDB‐101 also runs annual Video Challenges for high school students. Participants create short videos that tell molecular stories that connect structural biology and medicine. Previous topics have included HIV/AIDS, diabetes, and antimicrobial resistance. The 2022 challenge will focus on Molecular Mechanisms of Cancer. PDB‐101 activities are evaluated using user surveys, feedback from in‐person activities, and website analytics. In 2020, PDB‐101 hosted >850,000 users and >2.6 million page views.

Zardecki, Christine↗

eQuilibrator 3.0: a database solution for thermodynamic constant estimation

Abstract eQuilibrator (equilibrator.weizmann.ac.il) is a database of biochemical equilibrium constants and Gibbs free energies, originally designed as a web-based interface. While the website now counts around 1,000 distinct monthly users, its design could not accommodate larger compound databases and it lacked a scalable Application Programming Interface (API) for integration into other tools developed by the systems biology community. Here, we report on the recent updates to the database as well as the addition of a new Python-based interface to eQuilibrator that adds many new features such as a 100-fold larger compound database, the ability to add novel compounds, improvements in speed and memory use, and correction for Mg2+ ion concentrations. Moreover, the new interface can compute the covariance matrix of the uncertainty between estimates, for which we show the advantages and describe the application in metabolic modelling. We foresee that these improvements will make thermodynamic modelling more accessible and facilitate the integration of eQuilibrator into other software platforms.

59 BASIC BIOLOGICAL SCIENCES↗

Proceedings of the 6th US/German Workshop on Salt Repository Research, Design, and Operation

The 6th US/German Workshop on Salt Repository Research, Design, and Operation was held in Dresden. Germany on September 7-9, 2015. Over seventy participants helped advance the technical basis for salt disposal of radioactive waste. The number of collaborative efforts continues to grow and to produce useful documentation, as well as to define the state of the art for research areas. These Proceedings are divided into Chapters, and a list of authors is included in the Acknowledgement Section. Also in this document are the Technical Agenda, List of Participants, Biographical Information, Abstracts, and Presentations. Proceedings of all workshops and other pertinent information are posted on websites hosted by Sandia National Laboratories and the Nuclear Energy Agency Salt Club. The US/German workshops provide continuity for long-term research, summarize and publish status of mature areas, and develop appropriate research by consensus in a workshop environment. As before, major areas and findings are highlighted, which constitute topical Chapters in these Proceedings. In total, the scientific breadth is substantial and while not all subject matter is elaborated into chapter format, all presentations and abstracts are published in this document. In the following Proceedings, six selected topics are developed in detail.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

U.S. Hydropower Market Report

The January 2021 edition of the U.S. Hydropower Market Report is the third complete edition of this report (the first two were the 2014 and 2017 Hydropower Market Report published in 2015 and 2018, respectively). In intervening years between publishing the full report, updated data are also summarized and released, and can be found at the Oak Ridge National Lab (ORNL) HydroSource website. This report combines data from public and commercial sources, as well as research findings from other U.S. Department of Energy (DOE) R&D projects to provide a comprehensive picture of developments in the U.S. hydropower and pumped-storage hydropower fleet and industry trends. The report highlights developments in 2017–2019 (the years for which new data has become available since the publication of the 2017 Hydropower Market Report), and contextualizes this information compared to evolving high-level trends over the past 10–20 years. Apart from presenting trends over time, the report discusses differences in those trends by region, plant size, owner type, or other attributes.

13 HYDRO ENERGY↗

Documentation of operational protocol for the use of MAMA software

Image analysis of Scanning Electron Microscope (SEM) micrographs is a complex process that can vary significantly between analysts. The factors causing the variation are numerous, and the purpose of Task 2b is to develop and test a set of protocols designed to minimize variation in image analysis between different analysts and laboratories, specifically using the MAMA software package, Version 2.1. The protocols were designed to be “minimally invasive”, so that expert SEM operators will not be overly constrained in the way they analyze particle samples. The protocols will be tested using a round-robin approach where results from expert SEM users at Los Alamos National Laboratory, Lawrence Livermore National Laboratory, Pacific Northwest National Laboratory, Savannah River National Laboratory, and the National Institute of Standards and Testing will be compared. The variation of the results will be used to quantify uncertainty in the particle image analysis process. The round-robin exercise will proceed with 3 levels of rigor, each with their own set of protocols, as described below in Tasks 2b.1, 2b.2, and 2b.3. The uncertainty will be developed using NIST standard reference material SRM 1984 “Thermal Spray Powder – Particle Size Distribution, Tungsten Carbide/Cobalt (Acicular)” [Reference 1]. Full details are available in the Certificate of Analysis, posted on the NIST website (http://www.nist.gov/srm/).

97 MATHEMATICS AND COMPUTING↗

U.S. Hydropower Market Report (January 2021 edition)

This is the third complete edition of the U.S. Hydropower Market Report (the first two were the 2014 and 2017 Hydropower Market Report published in 2015 and 2018, respectively). In intervening years between publishing the full report, updated data are also summarized and released, and can be found at the Oak Ridge National Lab (ORNL) HydroSource website. This report combines data from public and commercial sources as well as research findings from other Department of Energy (DOE) R&D projects in order to provide a comprehensive picture of developments in the U.S. hydropower and PSH fleet and industry trends. Prior to the first Market Report being published, there was a noted lack of publicly available and easily accessible information about hydropower in the United States and other important trends affecting this important sector of the energy industry. New and valuable types of information are constantly being developed in the course of DOE research activities and, in a rapidly evolving energy industry, it is important that these data be made available in a predictable and consistent manner for use by all different types of stakeholders and decision-makers.The report highlights developments in 2017–2019 (the years for which new data has become available since the publication of the 2017 Hydropower Market Report), and contextualizes this information compared to evolving high-level trends over the past 10–20 years. Apart from presenting trends over time, the report discusses differences in those trends by region, plant size, owner type, or other attributes.

13 HYDRO ENERGY↗

Resource Characterization for Community Scale Tidal Instream Energy in Maine [Abstract]

Coastal and island communities in Maine are seeking solutions to increase the resiliency of their electrical grid while also reducing their carbon footprint. Unfortunately, many community scale tidal resources identified on the Maine coast have not been rigorously evaluated; previous studies identified numerous hot spots but left many of them unevaluated or under evaluated (e.g., only power density was assessed in many cases). The primary objective of this TEAMER project is to evaluate selected community scale tidal instream resources to demonstrate their potential for contributing to the renewable energy needs of nearby coastal communities. The methods developed in this study will enable the total community scale tidal instream energy resource along the Maine coast to be evaluated in follow-on studies. The study will also enable turbine developers to understand how to scale and optimize their devices for deployment in turbine farms at community scale sites. Data from the study will be shared publicly through MHKDR or relevant community websites.

16 TIDAL AND WAVE POWER↗

Funding for the 2ND IAEA technical meeting on fusion data processing, validation and analysis

The International Atomic Energy Agency (IAEA) will organize the second Technical Meeting on Fusion Da Processing, Validation and Analysis from 30 May to 02 June, 2017, in Cambridge, MA USA. The meeting w be hosted by the MIT Plasma Science and Fusion Center (PSFC). The objective of the meeting is to provide a platform where a set of topics relevant to fusion data processing, validation and analysis are discussed with the view of extrapolation needs to next step fusion devices such as ITER. The validation and analysis of experimental data obtained from diagnostics used to characterize fusion plasmas are crucial for a knowledge based understanding of the physical processes governing the dynamics of these plasmas. The meeting will aim at fostering, in particular, discussions of research and development results that set out or underline trends observed in the current major fusion confinement devices. General information on the IAEA, including its mission and organization, can be found at the IAEA websit Uncertainty quantification (UQ) Model selection, validation, and verification (V&V) Probability theory and statistical analysis Inverse problems & equilibrium reconstru ction Integrated data analysis Real time data analysis Machine learning Signal/image proc essing & pattern recognition Experimental design and synthetic diagnostics Data management

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

45Q Carbon Oxide Utilization LCA Training Workshop: Toolkit Overview

This training workshop was offered to inform stakeholders and LCA professionals of the tools and resources available from the Department of Energy’s National Energy Technology Laboratory (NETL) to support the development of an LCA that is compliant with the 45Q requirements. This presentation provides a descriptive overview which preceded a demonstration of the new and existing tools, available to view on the USEA website. A description and recording on USEA website here: https://usea.org/event/doenetl-45q-carbon-oxide-conversion-lca-training-workshop-hybrid.

Krynock, Michelle↗

The Weak Form Is Stronger Than You Think

The weak form is a ubiquitous, well-studied, and widely-utilized mathematical tool in modern computational and applied mathematics. In this work we provide a survey of both the history and recent developments for several fields in which the weak form can play a critical role. In particular, we highlight several recent advances in weak form versions of equation learning, parameter estimation, and coarse graining, which offer surprising noise robustness, accuracy, and computational efficiency. We note that this manuscript is a companion piece to our October 2024 SIAM News article of the same name. Here we provide more detailed explanations of mathematical developments as well as a more complete list of references. Lastly, we note that the software with which to reproduce the results in this manuscript is also available on our group's GitHub website https://github.com/MathBioCU .

26A33, 35D30, 62FXX, 62JXX, 65L09, 65M32, 68Q32,↗

A public website for the automated assessment and validation of SARS-CoV-2 diagnostic PCR assays

Abstract Summary Polymerase chain reaction-based assays are the current gold standard for detecting and diagnosing SARS-CoV-2. However, as SARS-CoV-2 mutates, we need to constantly assess whether existing PCR-based assays will continue to detect all known viral strains. To enable the continuous monitoring of SARS-CoV-2 assays, we have developed a web-based assay validation algorithm that checks existing PCR-based assays against the ever-expanding genome databases for SARS-CoV-2 using both thermodynamic and edit-distance metrics. The assay-screening results are displayed as a heatmap, showing the number of mismatches between each detection and each SARS-CoV-2 genome sequence. Using a mismatch threshold to define detection failure, assay performance is summarized with the true-positive rate (recall) to simplify assay comparisons. Availability and implementation The assay evaluation website and supporting software are Open Source and freely available at https://covid19.edgebioinformatics.org/#/assayValidation, https://github.com/jgans/thermonucleotide BLAST and https://github.com/LANL-Bioinformatics/assay_validation. Supplementary information Supplementary data are available at Bioinformatics online.

59 BASIC BIOLOGICAL SCIENCES↗

Site-Directed Research & Development Annual Report Overview FY 2020

The SDRD program’s annual report for fiscal year 2020 consists of two parts: the program overview, which contains three major sections, Program Description, Program Accomplishments, and Program Value, and individual project report summaries published electronically on the Nevada National Security Site’s website, www.nnss.gov/pages/programs/sdrd.html. Complete technical reports for concluding projects are available from the Office of Scientific and Technical Information (OSTI) or the principal investigator.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗