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DOE OSTI2016

Construction and Skilled Trades (CAST) Test Preparation, Final Report for period 10/1/2016 - 03/31/2017

Within the energy and utilities sectors, the most significant barrier for consideration and submittal of diverse applicants for skilled labor opportunities is their inability to successfully pass the industry’s Construction And Skilled Trades (CAST) examination. The exam is collectively accepted as the benchmark for prospective candidates and assess if they have the baseline skills and knowledge to apply for skilled positions within those industries. It is an exam that was created by the Edison Electric Institute. Students were taught for a full 40-hr week M-F. We conducted one class in each of the following locations: Philadelphia, Chicago and Washington, DC. The students learned and practiced curriculum prepared by the utility industry for increased success for the examination. They were also taught how to successfully navigate the final barrier of employment opportunity: behavior-based interviewing. They were then directed to the website in order to apply for the positions they desired, and then scheduled to take the exam. We were targeting at least 70% of those who sit for the exam to pass the first time. If they were unsuccessful, candidates could re-test within 3 months. We then sent their resumes directly to the hiring recruiters and managers so that they received prime consideration. Our target number of applicants who were successful in being invited for interviews was 15 candidates.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2023

Surface Complexation/Ion Exchange Hybrid Model for Radionuclide Sorption to Clay Minerals (M4SF-23LL010301062)

This progress report (Level 4 Milestone Number M4SF-23LL010301062) summarizes research conducted at Lawrence Livermore National Laboratory (LLNL) within the Argillite International Collaborations Activity Number SF-23LL01030106. The activity is focused on our long-term commitment to engaging our partners in international nuclear waste repository research. The focus of this milestone is the establishment of international collaborations for surface complexation modeling and the associated impacts of unlocking larger, community-based datasets. More specifically, we are developing a database framework for Spent Fuel and Waste and Science Technology (SFWST) that is aligned with the Helmholtz Zentrum Dresden Rossendorf (HZDR) sorption database development group in support of the database needs of the SFWST program. In our FY22 effort, we described a detailed analysis of U(VI) sorption to quartz through both traditional surface complexation modeling and through a hybrid ML framework. In FY23, effort was placed on publication of these results and expansion of the LLNL surface complexation and ion exchange database (L-SCIE) in order to assess mineral-based radionuclide retardation under a wider variety of geochemical conditions (e.g., ionic strength, varying electrolyte compositions). Efforts were initiated to expand L-SCIE to include radionuclide surface complexation and ion exchange to clays that are relevant to subsurface geochemical processes occurring at nuclear waste repositories. In particular, a large source of sorption data for clays resides at the Paul Scherrer Institute (PSI) (work primarily by Bradbury and Baeyens) and we initiated discussions on how to retrieve those data and apply FAIR principles to those datasets. In addition to L-SCIE development, two hybrid models that incorporate AI/ML were investigated and compared to discern the most promising approaches for accurate and precise estimations of radionuclide retardation. Key considerations for future model development include (1) the ability to reduce computational burden on determining retardation coefficients for PA and (2) the ability to quantify and predict radionuclide-mineral partitioning at a more efficient, rapid pace due to automated workflows. Upon the careful consideration of the most effective modeling approaches, we are identifying ways to implement these approaches into PA. Ultimately, the data science-based workflows will provide a major incentive for other institutions to adopt a FAIR-formatted, interoperable database. LLNL will play a key role in disseminating sorption data and acting as good data stewards by updating the database in a consistent format and assessing the quality of the newly assimilated data in an organized fashion. To this end, all data and workflows are open access and made available on the LLNL Seaborg research website (https://seaborg.llnl.gov/resources/geochemical-databases-modeling-codes).

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2014

Strengthening Retrofit Markets for Comprehensive Savings in Multifamily Buildings (Interim Final Report)

Energy efficiency is vitally important in Maine. Nearly 70% of Maine households rely on fuel oil as their primary energy source for home heating, a higher share than in any other state. Coupled with the state's long, cold winters, Maine's dependence on oil renders homeowners particularly vulnerable to fluctuating fuel costs. With $\$$4.5 million in seed funding from the Energy Department's Better Buildings Neighborhood Program, the Governor's Energy Office (GEO), through Efficiency Maine Trust (the Trust), is spurring Maine landlords to lower their monthly energy bills and improve comfort for their tenants during the state's cold winter months and increasingly warmer summers. Maine's aging multifamily housing stock can be expensive to heat and costly to maintain. It is not unusual to find buildings with little or no insulation, drafty windows, and significant air leaks, making them ideal candidates for energy efficiency upgrades. Maine modeled its Multifamily Efficiency Program (MEP) after the state's highly successful Home Energy Savings Program (HESP) for single-family homes. HESP provided cash incentives and financing opportunities to owners of one-to four-unit structures, which resulted in thousands of energy assessments and whole-house energy upgrades in 225 communities. Maine's new MEP multifamily energy efficiency upgrade and weatherization initiative focuses on small to medium-sized (i.e., five to 20 units) apartment buildings. The program's energy efficiency upgrades will provide at least 20% energy savings for each upgraded multifamily unit. The Trust’s MEP relies on a network of approved program partners who help move projects through the pipeline from assessment to upgrade. MEP has two components: benchmarking and development of an Energy Reduction Plan (ERP). Using the ENERGY STAR® Portfolio Manager benchmarking tool, MEP provides an assessment of current energy usage in the building, establishes a baseline for future energy efficiency improvements, and enables tracking and monitoring of future energy usage at the building— all at no cost to the building owner. The ERP is developed by a program partner using either the Trust’s approved modeling or prescriptive tools; it provides detailed information about the current energy related conditions in the building and recommends energy efficiency, health, and safety improvements. The Trust's delivery contractor provides quality assurance and controls throughout the process. Through this effort, MEP's goal is to establish a self-sustaining, market-driven program, demonstrating the value of energy efficiency to other building owners. The increasing value of properties across the state will help incentivize these owners to continue upgrades after the grant period has ended. Targeting urban areas in Maine with dense clusters of multifamily units—such as Portland, Lewiston- Auburn, Bangor, and Augusta—MEP engaged a variety of stakeholder groups early on to design its multifamily program. Through direct emails and its website, program officials invited lending institutions, building professionals, engineering firms, equipment distributors, and local property owners associations to attend open meetings around the state to learn about the goals of the multifamily program and to help define its parameters. These meetings helped program administrators understand the diversity of the customer base: some owners are individuals with a single building, while other owners are groups of people or management companies with an entire portfolio of multifamily buildings. The diversity of the customer base notwithstanding, owners see MEP as an opportunity to make gains in their respective properties. Consistently high turnouts at stakeholder meetings fueled greater customer interest as awareness of the program spread through word of mouth. The program also gained traction by utilizing the program partner networks and building on the legacy of the Trust’s successful HESP for single-family residences. MEP offers significant incentives for building owners to participate in the upgrade program. Wholebuilding benchmarking services are available to most multifamily housing buildings free of charge. The service provides the building owner with an assessment of the building's current energy efficiency as compared to other multifamily buildings on a national scale, establishes a baseline to measure future improvements, and enables owners to track monthly energy consumption using the ENERGY STAR Portfolio Manager. Once the benchmarking process is complete, the program links building owners with approved program partners (e.g., energy professionals, home performance contractors) to identify and implement specific energy-saving opportunities in the building. Program partners can also provide project quotes with estimated financing incentives and payback period calculations that enable building owners to make informed decisions. What's more, the Trust provides two financial incentives for successful completion of program milestones. The first is a per-unit incentive for completion of an approved ERP (i.e., $\$$100 per unit if a prescriptive path is followed, and $\$$200 per unit for a modeled ERP). Upon final inspection of the installed project scope of work, an incentive of $\$$1,400 per unit or 50% of installed cost—whichever is less—is paid. The Trust originally established a $\$$1 million loan-loss reserve fund (LLRF) to further enhance financing opportunities for qualified multifamily building owners. This funding mechanism was designed to connect building owners with lenders that retain the mortgages for their properties and encourages the lenders to offer financing for energy efficiency improvements. However, there has been no interest in the LLRF and therefore the LLRF has been reduced. Ultimately, MEP plans to build an online tool for building owners to assess opportunities to make upgrades in their multifamily units. The tool will include a performance rating system to provide a way for building owners to more easily understand energy use in their building, and how it could be improved with energy efficiency upgrades. Prospective tenants will also be able to use the rating system to make informed decisions about where to rent. Furthermore, the rating can be incorporated into real estate listings as a way for prospective home buyers and the real estate financial community to evaluate a home's operating costs. The Trust’s MEP has identified the state's most experienced energy professionals, vendors, suppliers, and contractors that install energy efficiency equipment in the multifamily sector to be qualified program partners. To be eligible for partnership, energy assessment professionals and contractors are required to have demonstrated experience in the multifamily sector and hold associated professional certifications, such as Building Operator Certification (BOC), Certified Energy Manager (CEM), Professional Engineer (PE), or Building Performance Institute (BPI) Multifamily Building Analyst. Widespread program interest has enabled the Trust to redirect funds that might otherwise be needed for program promotion to building capacity through contractor training. In addition to boosting professional training and certification opportunities, MEP teaches its partners how to market the multifamily program to prospective multifamily homeowners.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2016

MO-DE-BRA-06: 3D Image Acquisition and Reconstruction Explained with Online Animations

Purpose: Understanding the principles of 3D imaging and image reconstruction is fundamental to the field of medical imaging. Clinicians, technologists, physicists, patients, students, and inquisitive minds all stand to benefit from greater comprehension of the supporting technologies. To help explain the basic principles of 3D imaging, we developed multi-frame animations that convey the concepts of tomographic imaging. The series of free (gif) animations are accessible online, and provide a multimedia introduction to the main concepts of image reconstruction. Methods: Text and animations were created to convey the principles of analytic tomography in CT, PET, and SPECT. Specific topics covered included: principles of sinograms/image data storage, forward projection, principles of PET acquisitions, and filtered backprojection. A total of 8 animations were created and presented for CT, PET, and digital phantom formats. In addition, a free executable is also provided to allow users to create their own tomographic animations – providing an opportunity for interaction and personalization to help foster user interest. Results: Tutorial text and animations have been posted online, freely available to view or download. The animations are in first position in a google search of “image reconstruction animations”. The website currently receives approximately 200 hits/month, from all over the world, and the usage is growing. Positive feedback has been collected from users. Conclusion: We identified a need for improved teaching tools to help visualize the (temporally variant) concepts of image reconstruction, and have shown that animations can be a useful tool for this aspect of education. Furthermore, posting animations freely on the web has shown to be a good way to maximize their impact in the community. In future endeavors, we hope to expand this animated content, to cover principles of iterative reconstruction, as well as other phenomena relating to imaging.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

The joint automated repository for various integrated simulations (JARVIS) for data-driven materials design

The Joint Automated Repository for Various Integrated Simulations (JARVIS) is an integrated infrastructure to accelerate materials discovery and design using density functional theory (DFT), classical force-fields (FF), and machine learning (ML) techniques. JARVIS is motivated by the Materials Genome Initiative (MGI) principles of developing open-access databases and tools to reduce the cost and development time of materials discovery, optimization, and deployment. The major features of JARVIS are: JARVIS-DFT, JARVIS-FF, JARVIS-ML, and JARVIS-tools. To date, JARVIS consists of ≈40,000 materials and ≈1 million calculated properties in JARVIS-DFT, ≈500 materials and ≈110 force-fields in JARVIS-FF, and ≈25 ML models for material-property predictions in JARVIS-ML, all of which are continuously expanding. JARVIS-tools provides scripts and workflows for running and analyzing various simulations. We compare our computational data to experiments or high-fidelity computational methods wherever applicable to evaluate error/uncertainty in predictions. In addition to the existing workflows, the infrastructure can support a wide variety of other technologically important applications as part of the data-driven materials design paradigm. The JARVIS datasets and tools are publicly available at the website: https://jarvis.nist.gov .

36 MATERIALS SCIENCE↗
DOE OSTI2015

Final technical report for: Insertional Mutagenesis of Brachypodium distachyon DE-AI02-07ER64452

Several bioenergy grasses are poised to become a major source of energy in the United States. Despite their increasing importance, we know little about the basic biology underlying the traits that control the utility of grasses as energy crops. Better knowledge of grass biology (e.g. identification of the genes that control cell wall composition, plant architecture, cell size, cell division, reproduction, nutrient uptake, carbon flux, etc.) could be used to design rational strategies for crop improvement and shorten the time required to domesticate these species. The use of an appropriate model system is an efficient way to gain this knowledge. Brachypodium distachyon is a small annual grass with all the attributes needed to be a modern model organism including simple growth requirements, fast generation time, small stature, small genome size and self-fertility. These attributes led to the recommendation in the DOE’s “Breaking the Biological Barriers to Cellulosic Ethanol: A Joint Research Agenda” report to propose developing and using B. distachyon as a model for energy crops to accelerate their domestication. Strategic investments (e.g. genome sequencing) in B. distachyon by the DOE are now bearing fruit and B. distachyon is being used as a model grass by hundreds of laboratories worldwide. Sequence indexed insertional mutants are an extremely powerful tool for both forward and reverse genetics. They allow researchers to order mutants in any gene tagged in the collection by simply emailing a request. The goal of this project was to create a collection of sequence indexed insertional mutants (T-DNA lines) for the model grass Brachypodium distachyon in order to facilitate research by the scientific community. During the course of this grant we created a collection of 23,649 B. distachyon T-DNA lines and identified 26,112 unique insertion sites. The collection can be queried through the project website (http://jgi.doe.gov/our-science/science-programs/plant-genomics/brachypodium/brachypodium-t-dna-collection/) and through the Phytozome genome browser (http://phytozome.jgi.doe.gov/pz/portal.html). The collection has been heavily utilized by the research community and, as of October 23, 2015, 223 orders for 12,069 seeds packets have been filled. In addition to creating this resource, we also optimized methods for transformation and sequencing DNA flanking insertion sites.

09 BIOMASS FUELS↗
DOE OSTI2014

Information products and communication materials for NGOs

The Southeast Regional Carbon Sequestration Partnership (SECARB) Phase III Anthropogenic Test is a full integrated carbon dioxide (CO 2 ) capture, transportation, and geologic storage project located in southern Alabama. The CO 2 for the Anthropogenic Test is obtained from a demonstration-scale, post-combustion CO 2 capture facility at Southern Company's subsidiary Alabama Power's existing 2,657 Megawatt (MW) Barry Electric Generating Plant in Mobile County, Alabama. A small amount of flue gas from Plant Barry (equivalent to the amount produced when generating 25 MW of electricity) is being diverted from the plant's #5 coal burning unit and captured using a process developed by Mitsubishi Heavy Industries (MHI) to produce high purity CO 2 . The captured CO 2 is compressed at Plant Barry and transported approximately 19 kilometers (12 miles) by dedicated pipeline to the injection location at Citronelle Field. Public outreach and education associated with the Anthropogenic Test is critical to promoting public acceptance and eventual deployment of CCS technologies near large CO 2 sources in the Southeast. Southern Company, with support from the project team, has kept NGO communities informed of project status through press releases, public meetings, and presentations since site selection was announced on May 200, 2009. Maintaining good community relationships with neighbors and customers near its facilities is a priority. Goals are to educate NGO's about the demonstration, request that they inform their constituencies, and learn about their concerns related to CCS. The following report documents outreach activities by Southern Company and the project team through websites, press releases, local outreach, and presentations and outreach events.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2021

The Value of Diversity in the Renewable Energy Industry and Research Community

Part of creating a successful solar industry is developing a capable workforce. It has been repeatedly shown that organizations and companies are more productive when they have diverse and inclusive cultures. The solar industry in the U.S. performs well in some aspects (non-white workforce, positive work environment) but drastically under-performs in many others. We discuss these metrics and how this impacts the renewable energy industry and the solar research community. We highlight some initial actions which are necessary to begin to remediate these deficiencies, such as demographic tracking, recruiting strategies, and mentoring. We also present the historical and ongoing efforts to improve the diversity and inclusion of the Photovoltaic Specialists Conference, particularly through the work of this year’s Diversity and Inclusion (D&I) oversight committee. This year’s D&I committee is implementing diversity tracking, a women’s lunch, a diversity lunch, childcare resources, pronouns on badges, gender-neutral restrooms, addressing accessibility issues, and publishing a diversity statement and code of conduct to the PVSC website.

diversity↗
DOE OSTI2014

SU-E-CAMPUS-T-01: Automation of the Winston-Lutz Test for Stereotactic Radiosurgery

Purpose: To optimize clinical efficiency and shorten patient wait time by minimizing the time and effort required to perform the Winston-Lutz test before stereotactic radiosurgery (SRS) through automation of the delivery, analysis, and documentation of results. Methods: The radiation fields of the Winston-Lutz (WL) test were created in a “machine-QA patient” saved in ARIA for use before SRS cases. Images of the BRW target ball placed at mechanical isocenter are captured with the portal imager for each of four, 2cm×2cm, MLC-shaped beams. When the WL plan is delivered and closed, this event is detected by in-house software called EventNet which automates subsequent processes with the aid of the ARIA web services. Images are automatically retrieved from the ARIA database and analyzed to determine the offset of the target ball from radiation isocenter. The results are posted to a website and a composite summary image of the results is pushed back into ImageBrowser for review and authenticated documentation. Results: The total time to perform the test was reduced from 20-25 minutes to less than 4 minutes. The results were found to be more accurate and consistent than the previous method which used radiochromic film. The images were also analyzed with DoseLab for comparison. The difference between the film and automated WL results in the X and Y direction and the radius were (−0.17 +/− 0.28) mm, (0.21 +/− 0.20) mm and (−0.14 +/− 0.27) mm, respectively. The difference between the DoseLab and automated WL results were (−0.05 +/− 0.06) mm, (−0.01 +/− 0.02) mm and (0.01 +/− 0.07) mm, respectively. Conclusions: This process reduced patient wait times by 15–20 minutes making the treatment machine available to treat another patient. Accuracy and consistency of results were improved over the previous method and were comparable to other commercial solutions. Access to the ARIA web services is made possible through an Eclipse co-development agreement with Varian Medical Systems.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

2020 Exascale Computing Project Annual Meeting (Executive Summary Report)

The Exascale Computing Project (ECP) delivers specific applications, software products, and outcomes on DOE computing facilities. Integration across these elements for specific hardware technologies for exascale system instantiations is fundamental to ECP success. The outcome of the ECP is the delivery of a capable exascale computing ecosystem to provide breakthrough solutions addressing our most critical challenges in scientific discovery, energy assurance, economic competitiveness, and national security. This outcome is not a matter of ensuring more powerful computing systems. The ECP is designed to create more valuable and rapid insights from a wide variety of applications (“capable”), which requires a much higher level of inherent efficacy in all methods, software tools, and ECP-enabled computing technologies to be acquired by DOE laboratories (“ecosystem”). The ECP annual meeting provides a unique opportunity for the core technical expertise in the United States focused on achieving this next plateau of computational science and computing performance to engage in direct discussions on project execution. Face-to-face gatherings in technical communities like this are common and needed for the exchange of scientific ideas and technical performance. The ECP annual meeting stands apart from other technical conferences and meetings in the computing community as it is uniquely and solely focused on the execution of the ECP and the integration of technical activities leading to the creation of the exascale computing ecosystem for the future. The direct interaction of key critical technical staff, who are leaders in their respective fields, and the resulting give-and-take between software, applications, and hardware and the technical co-design therein, is unique and essential to the effective execution of the ECP. The first annual meeting was held in Knoxville, Tennessee, January 31 – February 2, 2017 and brought together, for the first time, a diverse collection of researchers from 16 DOE national laboratories as well as university computer and computational science researchers to discuss shared problems and joint solutions for the development of a capable exascale computing ecosystem. These interactions resulted in focused technical plans and an energized community centered on advances for ECP. The second annual meeting was held in Knoxville, Tennessee, February 5–9, 2018. It included 643 individual thought leaders and performers in application development, software research and deployment, and hardware research and integrators, all of whom are part of the multifaceted, billion dollar HPC community. This meeting provided a platform to discuss and disseminate numerous examples where researchers with common goals and synergistic solutions came together for the first time to deliver tangible results. Additionally, at the 2018 meeting, ECP researchers had the opportunity to digest all US HPC vendor R&D product roadmaps pointing to exascale – not only to learn how their research can play a role, but, more importantly, to influence those roadmaps to ensure successful delivery on DOE applications that will contribute to (if not solve) problems of national interest in national security, science, energy, and health, as well as growing security threats. The third annual meeting was held in Houston, Texas, January 14–17, 2019. With a 19% increase in the number of registrations (768 people), and the change in location, the third annual meeting was considered the most impactful of the three at the time. The new website provided a better platform for the dissemination of the content, the new venue as a meeting hotel instead of a conference center facilitated interactions and discussions after event hours, and the addition of an award-winning mobile event conference app (Whova) transformed dramatically the attendee experience at the event. This fourth annual meeting was held in Houston, Texas, February 3-7, 2020. This meeting had an increase in the number of attendees for a total of 824 people registered (782 attendees) and included numerous enhancements based on feedback and lessons learned from previous meetings, some of which are listed here: Improved quality of the sessions, their material and the whole program.; Had more industry participation and addition of external collaborators from overseas.; Published the full agenda earlier to better accommodate attendance and travel plans based on schedule.; Centralized all sessions in one venue.; Provided additional hotels and room blocks for the attendees.; Improved communication with the audience (links, material, directions, notifications, etc.) to go paperless.; Enhanced side meeting scheduling, management and user experience.; Made available additional space and tables for impromptu meetings and side discussions.; Improved IT and A/V solutions for speakers. In addition, our final survey captured the following points as opportunities for improvement in future meetings: consider a different meeting location that is more pedestrian friendly, reduce talks during working meals to allow more collaboration and informal time, adapt the agenda to acknowledge attendees from different timezones, consider recording some of the tutorials and/or sessions to share broadly with the HPC community, have a larger poster room, provide additional power strips, and improve the WiFi.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

DOE Data Days 2023 Report

The DOE Data Days (D3) workshop brings together data managers, developers, researchers, and program managers across the Department of Energy (DOE) and national laboratories to highlight data management successes, identify potential synergies and common problems, and establish channels for collaboration across the DOE data management community. The fourth D3 workshop was held on October 24th to 26th, 2023 held entirely in-person at Lawrence Livermore National Laboratory (LLNL). The workshop was organized by a multi laboratory committee in an effort to bring data management practitioners at the DOE laboratories together to share their work and results, facilitating knowledge transfers and best practices across project teams. Tools and platforms to support data management and analysis are rapidly evolving and provide enormous opportunities. This report summarizes the important discussions and recommendations from the different working sessions and contains the agenda, submitted abstracts, presentations with links to recorded presentations, breakout session summaries, list of registered attendees, and lessons learned for future organizing committee. The report will be distributed to the DOE, each participating institution’s programmatic stakeholders, and attendees. The dedicated D3 website will host presentations, agenda, and report that is accessible by all labs.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2023

Year-long buoy-based observations of the air–sea transition zone off the US west coast

Abstract. Two buoys equipped with Doppler lidars owned by the US Department of Energy (DOE) were deployed off the coast of California in autumn of 2020 by Pacific Northwest National Laboratory. The buoys collected data for an entire annual cycle at two offshore locations proposed for offshore wind development by the Bureau of Ocean Energy Management. One of the buoys was deployed approximately 50 km off the coast near Morro Bay in central California in 1100 m of water. The second buoy was deployed approximately 40 km off Humboldt County in northern California in 625 m of water. The buoys provided the first-ever continuous measurements of the air–sea transition zone off the coast of California. The atmospheric and oceanographic characteristics of the area and estimates of annual energy production at both the Morro Bay and Humboldt wind energy areas show that both locations have a high wind energy yield and are prime locations for future floating offshore wind turbines. This article provides a description and comprehensive analysis of the data collected by the buoys, and a final post-processed dataset is uploaded to a data archive maintained by the DOE. Additional analysis was conducted to show the value of the data collected by the DOE buoys. All post-processed data from this study are available on the Wind Data Hub website: https://a2e.energy.gov/data# (last access: 14 September 2023). Near-surface, wave, current, and cloud datasets for Humboldt and Morro Bay are provided at https://doi.org/10.21947/1783807 (Krishnamurthy and Sheridan, 2023b) and https://doi.org/10.21947/1959715 (Krishnamurthy and Sheridan, 2023a), respectively. Lidar datasets for Humboldt and Morro Bay are provided at https://doi.org/10.21947/1783809 (Krishnamurthy and Sheridan, 2023d) and https://doi.org/10.21947/1959721 (Krishnamurthy and Sheridan, 2023c), respectively.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

HERO WEC V1 Upgrade - 2023 Laboratory Testing (Raw Data)

This submission contains the original, unprocessed data from the 2023 Large Amplitude Motion Platform (LAMP) testing of NREL's Hydraulic and Electric Reverse Osmosis Wave Energy Converter (HERO WEC). This data serves as a companion to MHKDR #520. Data was collected using NREL's Modular Ocean Data AcQuisition (MODAQ) system in TDMS format. Specifications of TDMS files can be found on the NI website. The TDMS files have been separated into zip files corresponding to either Drivetrain, Hydraulic, or Electric configuration runs representing the respective test cases that were run. The drivetrain runs were used to characterize the drivetrain only (no pump or generator). The Hydraulic runs represent the configuration when the seawater pump is installed, and the Electric runs represents the configuration when the generator is installed. The following sub-categories of data are included for each type: - DW - Deep water (monochromatic sine wave) profile (not run in drivetrain configuration) - Heave - Heave only (monochromatic sine wave) profile - Heave_NoRO (hydraulic configuration only) - Heave_ACC (hydraulic configuration only) - IR - Surge and heave irregular wave profile (not run in drivetrain configuration) - RW - Heave only profile created from real world encoder data (not run in drivetrain configuration) Reference documents: - "HERO WEC Lamp Test Run Log.xlsx": contains specifications for each test run - "Lamp Data Description.docx": provides detailed information about data types and processing methods For those interested in the processed data the authors have created a separate submission, MHKDR #520, linked below. This data set has been developed by the National Renewable Energy Laboratory, operated by Alliance for Sustainable Energy, LLC, for the U.S. Department of Energy (DOE) under Contract No. DE-AC36-08GO28308. Funding provided U.S. Department of Energy Office of Energy Efficiency and Renewable Energy Water Power Technologies Office.

16 TIDAL AND WAVE POWER↗
DOE OSTI2022

Real-Time Monitoring of Gas-Phase and Dissolved CO 2 Using a Mixed-Matrix Composite Integrated Fiber Optic Sensor for Carbon Storage Application

Novel chemical sensors that improve detection and quantification of CO 2 are critical to ensuring safe and cost-effective monitoring of carbon storage sites. Fiber optic (FO) based chemical sensor systems are promising field-deployable systems for real-time monitoring of CO 2 in geological formations for long-range distributed sensing. Here, a mixed-matrix composite integrated FO sensor system was developed with a purely optical readout that reliably operates as a detector for gas-phase and dissolved CO 2 . A mixed-matrix composite sensor coating consisting of plasmonic nanocrystals and hydrophobic zeolite embedded in a polymer matrix was integrated on the FO sensor. The mixed-matrix composite FO sensor showed excellent reversibility/stability in a high humidity environment and sensitivity to gas-phase CO 2 over a large concentration range. This remarkable sensing performance was enabled by using plasmonic nanocrystals to significantly enhance the sensitivity and a hydrophobic zeolite to effectively mitigate interference from water vapor. The sensor exhibited the ability to sense CO 2 in the presence of other geologically relevant gases, which is of importance for applications in geological formations. A prototype FO sensor configuration which possesses a robust sensing capability for monitoring dissolved CO 2 in natural water was demonstrated. Reproducibility was confirmed over many cycles, both in a laboratory setting and in the field. More importantly, we demonstrated on-line monitoring capabilities with a wireless telemetry system, which transferred the data from the field to a website. The combination of outstanding CO 2 sensing properties and facile coating processability makes this mixed-matrix composite FO sensor a good candidate suitable for practical carbon storage applications.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Performance tuning of CEED software and 1st and 2nd wave apps

The goal of this milestone was the performance tuning of the CEED software, as well as the use and tuning of CEED to accelerate the first and second wave of targeted ECP applications. In this milestone, the CEED team developed optimization techniques and tuned for performance the CEED software to accelerate the first and second wave target ECP applications. Specifically, the focus was on the following: (1) Efficient use of the memory sub-system for managing data motion and interactions among different physics packages and libraries; this included integration of the new developments in a libCEED 0.5 software release; (2) Enhancing the CEED libraries with GPU and AMD GPU support in close interaction with vendors; (3) Optimal data locality and motion, and enhanced scalability and parallelism; this included vendors interactions for improvements in data motion and making strong scaling easier and more efficient; and (4) Continue boosting performance for the first-wave and second-wave of ECP target applications, including ExaSMR, ExaWind, Urban, MARBL, E3SM, and ExaAM. A main part of this milestone was the performance tuning of the CEED first-wave and second-wave ECP applications. This included the ExaSMR application – Coupled Monte Carlo Neutronics and Fluid Flow Simulation of Small Modular Reactors (ORNL), the MARBL application – Next-Gen Multi-physics Simulation Code (LLNL), and the ExaAM ExaConstit – a miniapp for the Transforming Additive Manufacturing through Exascale Simulation applications project (ExaAM), as well as ExaWind, Urban, and E3SM. The artifacts delivered include performance improvements in CEED’s 1st and 2nd wave of applications, and tuned CEED software for various architectures through a number of backends, freely available in the CEED’s repository on GitHub. See the CEED website, http://ceed.exascaleproject.org and the CEED GitHub organization, http://github.com/ceed for more details. In addition to details and results from the above R&D efforts, in this document we are also reporting on other project-wide activities performed in Q4 of FY19 including: CEED’s third annual meeting, MFEM GPU kernels scaling improvements, libCEED 0.5 and NekRS releases, an overview paper covering latest results on a set of bake-off high-order finite element problems (BPs), and other outreach efforts.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Development and Validation of Smart Building Technology Modules for Academic and Professional Education (Final Technical Report)

Smart building technologies can improve building energy efficiency and resilience, reduce carbon emissions, and provide load flexibility to the grid. However, in both college curricula and building professionals’ continuing education, there is a lack of systematic instruction on smart building technologies. Slipstream, partnering with Texas A&M University (TAMU), the Society of Building Science Educators (SBSE), and the National Institute of Building Sciences (NIBS), developed a semester-long smart building curriculum for college students and 16 training videos for building professionals and the general public. The education and training cover the drivers and benefits of smart building technologies, key building energy systems, the latest sensor technologies and IoT devices, and focus on topics related to smart building controls (i.e., energy management information systems, smart building control platforms, cybersecurity, grid-interactive-efficient buildings [GEBs], smart building control methods, and occupant-centric control). The smart building curriculum for college students was taught at TAMU in the Spring semester of 2024 as part of the validation process. Student feedback was collected and summarized in a validation report by TAMU. The curriculum material was also reviewed by SBSE faculty who are interested in teaching smart building technology-related courses. Suggestions on revisions and better adoption of the materials by other faculty across the architectural, engineering, and construction (AEC) domains were compiled in a distinct validation report by SBSE. The SBSE validation report was used to create structured subsets of the curriculum material for adoption at different levels in different sub-disciplines. These subsets are categorized and offered on the SBSE website (https://www.sbse.org/courses/Smart-Building-Technologies). The 16 training videos for building professionals and the general public were previewed by 17 industry experts, and feedback and suggested changes were incorporated into the final version of these videos. The videos are organized into a smart building technology training course and published on the Whole Building Design Guide website (https://www.wbdg.org/ce/doe/bto/sbtt), which is hosted by the National Institute of Building Sciences (NIBS). Project team members created marketing materials to promote the awareness of these free, publicly available education and training resources. Outreach and marketing activities included creating short promotional videos, building project webpages, making project announcements on social media, conducting an email campaign, and directly reaching out to faculties and building professionals. This report describes the project approach, provides outlines of the training materials, along with links to resources, and identifies lessons learned in creating the content. We also suggest ways to scale the instruction of smart building concepts to empower the workforce to accelerate the adoption of smart building technologies in the real world.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2024

JARVIS-Leaderboard: a large scale benchmark of materials design methods

Abstract Lack of rigorous reproducibility and validation are significant hurdles for scientific development across many fields. Materials science, in particular, encompasses a variety of experimental and theoretical approaches that require careful benchmarking. Leaderboard efforts have been developed previously to mitigate these issues. However, a comprehensive comparison and benchmarking on an integrated platform with multiple data modalities with perfect and defect materials data is still lacking. This work introduces JARVIS-Leaderboard, an open-source and community-driven platform that facilitates benchmarking and enhances reproducibility. The platform allows users to set up benchmarks with custom tasks and enables contributions in the form of dataset, code, and meta-data submissions. We cover the following materials design categories: Artificial Intelligence (AI), Electronic Structure (ES), Force-fields (FF), Quantum Computation (QC), and Experiments (EXP). For AI, we cover several types of input data, including atomic structures, atomistic images, spectra, and text. For ES, we consider multiple ES approaches, software packages, pseudopotentials, materials, and properties, comparing results to experiment. For FF, we compare multiple approaches for material property predictions. For QC, we benchmark Hamiltonian simulations using various quantum algorithms and circuits. Finally, for experiments, we use the inter-laboratory approach to establish benchmarks. There are 1281 contributions to 274 benchmarks using 152 methods with more than 8 million data points, and the leaderboard is continuously expanding. The JARVIS-Leaderboard is available at the website: https://pages.nist.gov/jarvis_leaderboard/

36 MATERIALS SCIENCE↗
DOE OSTI2024

Characterization of Soil and Rock Magnetic Properties along Multiple Hillslope Transects at Teller Road Site, Seward Peninsula, Alaska, 2018 and 2023

The magnetometer data was collected in multiple directions across the watershed hillslope at the NGEE Arctic Teller Road site at mile marker 27 (TL_MM27) on the Seward Peninsula, Alaska over multiple years in March 2018 and April 2023. The magnetic data were collected using a Geometrics Inc. G-858 gradiometer and G-857 base station in 2018 and the G-864 gradiometer and G857 base station in 2023. The data was collected (in all instances) by towing the gradiometer behind a snow machine around the watershed with the two sensors in a vertical profile with constant spacing during the continuous survey in that specific year. Magnetic total field measurements were collected by gradiometer and base station, and the data processing was performed in Geometrics MagMap2000 software. The processing steps were limited to removal of data spikes (despiking), reading dropouts, and correction/removal of bad GPS points. All offsets between sensors and GPS are stated within the data files and metadata, alongwith the processed and raw data. The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska.Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).In this data submission there are two sets of raw magnetic data (.bin and .stn for 2018 and base for 2023; raw rover mag for 2023 is in .csv) inside two .zip files that identify the year the mag data was collected. The data are proprietary format to Geometrics and can be opened and processed with MagMap2000 which can be downloaded for free at Geometrics website. There are also two processed data files *.csv for each year and two metadata files *.csv.

54 ENVIRONMENTAL SCIENCES↗