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DOE OSTI2022

Bioimaging Science Program: 2022 Principal Investigator Meetings Proceedings

The mission of the U.S. Department of Energy’s (DOE) Biological and Environmental Research (BER) program’s Bioimaging Science Program (BSP) is to understand the translation of genomic information into the mechanisms that power living cells, communities of cells, and whole organisms. The goal of BSP is to develop new imaging and measurement technologies to visualize the spatial and temporal relationships of key metabolic processes governing phenotypic expression in plants and microbes. The extended goal of dynamic imaging is to functionally connect cellular components and interdependent organisms. Information about the time and place of chemical reactions in situ can identify causal relationships between biological activators and downstream effectors. BSP held its annual PI meeting virtually February 28–March 1. Contributing investigators are convened to review progress and current state-of-the-art bioimaging research. Holding the 2022 BSP meeting as part of the broader Genomic Science Program (GSP) PI meeting allowed researchers to interact with the extended GSP community. This convergence provided a platform for networking and exchange of ideas with experts in other technologies and in target BSP application areas, helping to forge new multidisciplinary collaborations among investigators from the sister programmatic areas within BER’s Biological Systems Science Division. An important highlight of the BSP meeting was the keynote presentation by Nobel Laureate Dr. Joachim Frank on Time-Resolved Macromolecular Imaging using Cryo-EM. He discussed microfluidic mixing and fast freezing to capture nonequilibrium intermediate states during molecular binding and conformational changes. The action of molecular machines can be captured at nanometer resolution and millisecond discrimination. BSP PIs made presentations describing their research focus and progress in plenary sessions on bioimaging science and on quantum-enabled bioimaging science research projects. BSP research at universities and DOE laboratories is presented in this report. A final discussion of the BSP was organized by meeting plenary session chairs, who prepared the following Executive Summary of current BSP research, research challenges, future opportunities, and potential ideas for expanding the BSP’s impact and interactions.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Nanoporous Materials Genome Center Final Technical Report

Nanoporous materials (NPMs), including zeolites/zeotypes, metal-organic frameworks (MOFs), covalent organic frameworks, polymers with intrinsic microporosity, and molecular cages, possess enormous potential in diverse areas relevant to the DOE Office of Science Basic Energy Sciences (BES) mission and objectives. The Nanoporous Materials Genome Center (NMGC) has developed exascale-ready software, computational/theoretical chemistry methods, and data-driven science approaches that enable (i) the de-novo design of functional NPMs for chemical separation and catalysis tasks of increasing complexity, (ii) the discovery of the most promising functional NPMs from databases of synthesized and hypothetical adsorbent structures and the optimization of process conditions for specific applications, and (iii) the microscopic-level understanding of the fundamental interactions underlying the function of NPMs including hierarchical architectures, composite materials, responsive frameworks that may undergo phase transitions or post-synthetic modifications, and materials containing defects, partial disorder, or interfaces. A pivotal part of the NMGC project has been a tight collaboration between leading experimental groups for synthesis and characterization of NPMs and of computational groups that allowed for iterative feedback. The NMGC project has resulted in the publication of more than 290 research and review articles including more than 60 publications in high-impact journals and more than 15 journal covers. NMGC publications have already received more than 20,000 citations (with more than 3,000 citations per year in 2021, 2022, and 2023) and contribute to an h-index of more than 72. The NMGC award has supported collaborative research involving 28 research groups and contributed to the training of more than 40 postdocs, more than 60 graduate students, and more than 20 undergraduate students with broad expertise in data-driven science approaches, computational chemistry methods, and high-performance computing, in addition to the skills to thrive in an integrated experimental and computational research environment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

WEST full tungsten operation with an ITER grade divertor

The mission of WEST (tungsten-W Environment in Steady-state Tokamak) is to explore long pulse operation in a full tungsten (W) environment for preparing next-step fusion devices (ITER and DEMO) with a focus on testing the ITER actively cooled W divertor in tokamak conditions. Following the successful completion of phase 1 (2016-2021), phase 2 started in December 2022 with the lower divertor made entirely of actively cooled ITER-grade tungsten mono-blocks. A boronization prior the first plasma attempt allowed for a smooth startup with the new divertor. Despite the reduced operating window due to tungsten, rapid progress has been made in long pulse operation, resulting in discharges with a pulse length of 100 s and an injected energy of around 300 MJ per discharge. Plasma startup studies were carried out with equatorial boron nitride limiters to compare them with tungsten limiters, while Ion Cyclotron Resonance Heating assisted startup was attempted. High fluence operation in attached regime, which was the main thrust of the first campaigns, already showed the progressive build up of deposits and appearance of dust, impacting the plasma operation as the plasma fluence increased. In total, the cumulated injected energy during the first campaigns reached 43 GJ and the cumulated plasma time exceeded 5 h. Demonstration of controlled X-Point Radiator regime is also reported, opening a promising route for investigating plasma exhaust and plasma-wall interaction issues in more detached regime. This paper summarises the lessons learned from the manufacturing and the first operation of the ITER-grade divertor, describing the progress achieved in optimising operation in a full W environment with a focus on long pulse operation and plasma wall interaction.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Performance Analysis of PIConGPU: Particle-in-Cell on GPUs using NVIDIA’s NSight Systems and NSight Compute

PIConGPU, Particle In Cell on GPUs, is an open source simulations framework for plasma and laser-plasma physics used to develop advanced particle accelerators for radiation therapy of cancer, high energy physics and photon science. While PIConGPU has been optimized for at least 5 years to run well on NVIDIA GPU-based clusters, there has been limited exploration by the development team of potential scalability bottlenecks using recently updated and new tools including NVIDIA’s NVProf tool and the brand-new NVIDIA NSight Suite (Systems and Compute) tools. PIConGPU is a highly optimized application that runs production jobs at scale on a system Oak Ridge Leadership Facility’s (OLCF) Summit supercomputer (using the full machine at 4600 nodes; at 98% of GPU utilization on all ~28000 NVIDIA Volta GPUs). PIConGPU has been selected as one of the the eight applications for OLCF’s coveted Center for Accelerated Application Readiness (CAAR) program aimed at the facility’s Frontier supercomputer (OLCF’s first exascale system to launch in 2021), to partner with our vendors (primary vendors: AMD and Cray/HPE) ensuring that Frontier will be able to perform large-scale science when it opens to users in 2022. To this effect, performance engineers on the PIConGPU team wanted to dive deep into the application to understand at the finest granularity, which portions of the code could be further optimized to exploit the hardware on Summit at it’s maximum potential and also to elucidate which key kernels should be tracked and optimized for the CAAR effort to port this code to Frontier. Any bottlenecks that are observed via performance profiling on Summit are likely to also impact scalability on the Frontier-dev system and the Frontier Early Access (EA) system. Additionally, the engineers wanted to take a closer look at the newest NVIDIA profiling tools which allows us to identify the most useful features on these tools and will provide an opportunity to compare it to new AMD and Cray’s performance analysis tool releases and provide feedback to our vendor partners on what features are most important and mission critical for CAAR efforts. The primary goal of this report is to focus on the evaluation of PIConGPU’s most time-intensive kernels using NVProf and NSight Suite. Three kernels, Current Deposition (also known as Compute Current), Particle Push (Move and Mark), and Shift Particles are known to be some of the most time-consuming kernels in PIConGPU. The Current xi Deposition kernel and Particle Push kernel both set up the particle attributes for running any physics simulation with PIConGPU, so it is crucial to improve the performance of these two kernels. In this report, we measure single GPU metrics for the three kernels, offer high level takeaways from the conducted analysis, and compare the profiling data from NSight Compute to that of NVProf. This analysis was performed using a grid size of 240 x 272 x 224, and 10 time steps with the Mid-November Figure of Merit (FOM) run setup. The Traveling Wave Electron Acceleration (TWEAC) science case used in this run is a representative science case for PIConGPU. This execution can also be used for baseline analysis on AMD MI50/ MI60 systems. As of the time of writing, the PIConGPU application has limited use for features of NSight Systems, so this report will mainly focus on insights garnered from NSight Compute. For this analysis, we run the “full” metric set available in NSight Compute version 2020.1.2 and use NSight Systems version 2020.3.1 to generate the application timeline.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

ICE Calculator 2.0: Final Report for Phase 1 of the National Initiative to Update the Interruption Cost Estimate (ICE) Calculator

In 2021, Berkeley Lab and Resource Innovations, Inc. launched the “ICE 2.0 Initiative” – a national study to refresh the underlying data and enhance the functionality of the ICE Calculator. The Initiative involves Berkeley Lab contracting with sponsoring utilities to administer identical, updated and comprehensive interruption cost surveys to statistically representative samples of each utility’s customers. Berkeley Lab and Resource Innovations then pool the survey results across the utilities and use them to update the analytical engines that drive the ICE Calculator. The ICE 2.0 Initiative is being conducted in phases. Each phase involves the administration of interruption cost surveys to the customers of sponsoring utilities, followed by an update to the ICE Calculator based on analysis of the pooled survey results. This report describes the activities and findings from Phase 1 of the ICE 2.0 Initiative. Phase 1 was sponsored by eight utilities: American Electric Power, Commonwealth Edison, Dominion Energy, Duke Energy, DTE Electric, Exelon, National Grid, and Puget Sound Energy. Phase 1 involved 11 customer interruption cost survey activities representing a total of 24 electricity distribution service territories, 23 of them located in the Eastern and Midwestern regions of the U.S. and one located in the Pacific Northwest. ICE 2.0 vs. 1.0 Comparison This memorandum compares customer power interruption costs estimated using the recently updated Interruption Cost Estimate (ICE) Calculator (“ICE 2.0”) to the original ICE Calculator (“ICE 1.0”). ICE 1.0 was developed in 2009 based on 15 independent power interruption cost surveys conducted by 10 electric utilities between 1989 and 2012. ICE 2.0 was developed in 2025 through a national initiative based on a consistent set of power interruption cost surveys and 11 surveying efforts conducted across 24 electric utility service territories between 2022 and 2024.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

Puck and Puck/SAW Loop Seals (Final Report)

Tamper-indicating devices (TIDs), also known as seals, play a crucial role in various sectors including international nuclear safeguards, arms control, domestic security, and commercial products, by ensuring that monitored or high-value items are not accessed undetected. These devices do not block access but alert to unauthorized tampering. With adversaries' capabilities evolving, there's a pressing need for seals to advance in terms of effectiveness (e.g., better tamper indication and unique identification), and new technology can improve the efficiency of installation and verification. Passive loop seals, widely used in international nuclear safeguards to ensure that continuity of knowledge is maintained on declared items, face stringent International Atomic Energy Agency (IAEA) requirements that surpass those met by commercial products. The metal cup seal (Figure 1, left), a staple IAEA seal, is robust but requires significant resources for post-use verification – specifically, the seal’s unique identity can only be verified at IAEA headquarters after removal from facilities. Further, the seal has been in use for decades and seal types should periodically be replaced to counter adversarial efforts for defeating seals. In 2020, the IAEA outlined about 40 requirements for a new passive loop seal, aiming for in-situ verification, minimal external tool use, unique identification (UID), and clear tamper indication. In response, research and development efforts focused on creating a new passive loop seal that meets these criteria and in 2022 the IAEA announced the completion of the Field Verifiable Passive Loop Seal (FVPS) (Figure 1, right). Concurrently to the IAEA’s efforts, Sandia National Laboratories (SNL) and Oak Ridge National Laboratory (ORNL) designed, developed, and tested two seal versions – Puck and Puck/SAW, with Puck based on the IAEA’s requirements and including a novel visually-obvious tamper response, and Puck/SAW adding additional beneficial capabilities like the ability to receive a unique identifier from a standoff distance and monitoring the wire integrity. Puck/SAW was specifically designed and developed to address sealing applications in dry spent fuel storage facilities, where the number of sealed spent fuel containers results in heavy verification burden and inspector safety issues related to radiation exposure. These efforts are described in this Executive Summary.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2022

Annual Stormwater Report for the Y-12 National Security Complex Oak Ridge, Tennessee

This is the ninth annual stormwater report prepared in accordance with the modified National Pollutant Discharge Elimination System permit issued to the Y-12 National Security Complex (Y-12) on April 1, 2014. This modified permit removed the authorization to augment flow in East Fork Poplar Creek (EFPC) and thus removed the requirement to sample this effluent in conjunction with other major outfalls on EFPC. There are several construction and demolition activities currently in progress at Y-12. These include the construction of the Uranium Processing Facility (UPF), the Mercury Treatment Facility (MTF) on EFPC, the site-wide power grid upgrade, construction of an Emergency Operations Center, construction of a new Fire Station, Security Improvement Revitalization Program (SIRP), West End Protection Area Reduction (WEPAR) Project, and the demolition of the Biology Complex. Current stormwater protections have proven effective in 2021. However, moving forward, challenges to protect stormwater will continue from these projects. Therefore, oversight of these activities, and all other construction and demolition projects, will continue to be a priority in 2022. Y-12 will continue to implement appropriate Best Management Practices and reduce outside material storage areas where possible.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2026

Measurements of the inclusive W and Z boson production cross sections and their ratios in proton-proton collisions at $\sqrt{s}=13.6$ TeV

Measurements are presented of the W and Z boson production cross sections in proton-proton collisions at a center-of-mass energy of 13.6 TeV. Data collected in 2022 and corresponding to an integrated luminosity of 5.01 fb −1 with one or two identified muons in the final state are analyzed. The results for the products of total inclusive cross sections and branching fractions for muonic decays of W and Z bosons are 11.93 ± 0.08 (syst) ± 0.17 (lumi) $^{+0.07}_{−0.07}$ (acceptance) nb for W + boson production, 8.86 ± 0.06 (syst) ± 0.12 (lumi) $^{+0.05}_{−0.06}$ (acceptance) nb for W − boson production, and 2.021 ± 0.009 (syst) ± 0.028 (lumi) $^{+0.011}_{−0.013}$ (acceptance) nb for the Z boson production in the dimuon mass range of 60–120 GeV, all with negligible statistical uncertainties. Furthermore, the corresponding fiducial cross sections, as well as cross section ratios for both fiducial and total phase space, are provided. The ratios include charge-separated results for W boson production (W + and W − ) and the sum of the two contributions (W ± ), each relative to the measured Z boson production cross section. Additionally, the ratio of the measured cross sections for W + and W − boson production is reported. All measurements are in agreement with theoretical predictions, calculated at next-to-next-to-leading order accuracy in quantum chromodynamics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Screening Tool for Equitable Adoption and Deployment of Solar (STEADy Solar)

The Screening Tool for Equitable Adoption and DeploYment of Solar (STEADy Solar) is a database and mapping tool designed to promoting clean energy investments for low-income communities across the United States. The tool indicates locations that may be eligible for the Investment Tax Credit bonus adders defined in the 2022 Inflation Reduction Act (IRA) and combines this information with demographics, social vulnerability, solar technical potential, solar economics (modeled net present value), and building counts by use-type. It can be used by states, municipalities, community-based organizations, developers, and researchers to identify sites where solar projects may be economical and where federal incentives may be available to support equitable adoption of solar. Specific values include: Areas eligible for the Energy Communities Tax Credit Bonus Program (including brownfield site counts) Areas eligible for the Low Income Communities Bonus Credit Program (including Tribal Lands, and covered affordable housing project counts) Areas categorized as disadvantaged by Justice40 Commercial and Residential Solar economics characterized by the Net Present Value and Simple Payback Period Total Population, Race, and Ethnicity Median Household Income, Poverty rate, Household Tenure Social Vulnerability Count of buildings, developable rooftop solar capacity (in kWdc) and estimated annual generation potential (in kWh) on four building types: Government General Services, Government Emergency Response, Grade Schools, and Colleges/Universities. The linked report describes the STEADy dataset metadata and presents high level insights from the data. The downloadable and formatted excel dataset makes it easy for users to gain insights for their locations. Supporting .csv and shapefiles provide users with the full data to run their own analyses on equitable solar siting.

14 SOLAR ENERGY↗
DOE OSTI2022

Simulation, Challenge Testing and Validation of Solutions for Residential and Commercial Occupancy Sensing/Counting and CO2 Sensing (Final Report)

Carbon dioxide sensors used for monitoring and control applications in buildings are known to be sensitive to long term drift and can be affected by variations in temperature, humidity, other gas interferents, pressure and other factors that cannot be corrected through the typical auto-calibration methods often embedded in the sensor electronics. This investigation was part of the Category D defined in the ARPA-E Saving Energy Nationwide in Structures With Occupancy Recognition (SENSOR) Financial Assistance Funding Opportunity Announcement No. DE-FOA-0001737, FFDA No. 81.135, January 18, 2017. The FOA defined target criteria for the evaluation of the Category C commercial CO2 sensors selected for review and development through the ARPA-E SENSOR program and charged the Iowa State Category D team with developing an evaluation methodology for Category C sensors in accordance with these criteria. As part of the work, the Iowa State team chose to engage the standards community in the development of the evaluation methodology. Standard development work in the D22.05 Indoor Air and D22.03 Ambient Atmospheres and Source Emissions subcommittees of ASTM International Committee D22 on Air Quality on the evaluation of low cost sensors and provision of guidance for using indoor carbon dioxide concentrations to evaluate indoor air quality and ventilation is of particular relevance to the Category D efforts. To date, three draft standards with specific input by the Iowa State Category D team have passed the subcommittee balloting stage and are being balloted in December 2022 and January 2023 in the main D22 committee. In addition to the aforementioned standards to which the PI was a contributing author, intellectual property developed in this project pertaining to “An Automated System for Evaluation of the Long Term Performance of Carbon Dioxide Sensors” and “An Automated Ground Truth System for Real-Time Reliability Assessment, Capture of Control Decisions and Energy Savings Measurements for Occupancy Recognition Systems and Other Applications” are the other major deliverables of the project. These standards and the developed intellectual property are expected to benefit the public in a number of ways stemming from their provision of means to benchmark the performance of carbon dioxide and other sensor systems. In particular, there is high interest in techniques to demonstrate the performance of low-cost carbon dioxide sensors which can be used for typical HVAC applications (e.g., demand controlled ventilation, outdoor and indoor air monitoring, estimation of occupancy, etc.).

42 ENGINEERING↗
DOE OSTI2022

2022 GETEM Geothermal Drilling Cost Curve Update: Preprint

The Geothermal Electricity Technology Evaluation Model (GETEM) is an essential tool for the Department of Energy's (DOE) Geothermal Technology Office (GTO) to understand the performance and cost of technologies it is seeking to improve. This detailed model is used for supply curve analyses, assessing the current economic feasibility and Levelized Cost of Energy (LCOE) of hydrothermal geothermal systems and EGS, and evaluating the potential impact of advanced geothermal technologies. GETEM can be used to estimate the performance and costs of currently available U.S. geothermal power systems. It is also used to estimate the costs of technologies 5 to 20 years in the future, given the direction of potential research, development, and demonstration (RD&D) projects. The model is intended to help GTO determine which proposed RD&D programs and projects might offer the most efficient improvement when using taxpayer funding. The model requires annual updates as well as revisions to reflect the current state of the art. Drilling costs are a significant portion of total geothermal development costs. The current GETEM drilling cost inputs rely on drilling data from 2009 and require an updated analysis of more recent data to ensure they remain representative of current technologies. An updated, more accurate understanding of costs could help the geothermal industry secure project development financing and investment funding and better allow the oil and gas (O&G) industry (both operators and service companies) weigh potential geothermal market participation and customization. This report details recent drilling improvements from the Utah Frontier Observatory for Research in Geothermal Energy (FORGE) and O&G, comparing drilling performance and costs with values in GETEM, particularly the baseline drilling cost curves. Though drilling performance at FORGE has improved significantly, we did not find associated cost decreases that would justify lowering the GETEM baseline cost curves as of now.

API↗
DOE OSTI2022

International Intercomparison for Nuclear Accident Dosimetry Using Godiva-IV

During the week of August 22, 2022, Integral Experiment Request (IER) 538, an international blind intercomparison for nuclear accident dosimetry (NAD) exercise, was completed using the Godiva-IV critical assembly at the National Criticality Experiments Research Center (NCERC) located in the Device Assembly Facility (DAF) at the Nevada National Security Site (NNSS). This exercise builds upon a series of experiments that include the characterization the radiation fields around Godiva (IER-147) and Flattop (IER-252) and follow up intercomparisons of dosimetry around both Godiva IV and Flattop (IER-148 and IER-253, respectively). The participants consisted of seven Department of Energy laboratories and one laboratory each from the US Navy, United Kingdom, and France. The participants of the exercise were Lawrence Livermore National Laboratory (LLNL); Los Alamos National Laboratory (LANL); Sandia National Laboratory (SNL); Savannah River Site (SRS); Hanford Site, Missions Support and Test Services (MSTS); Y-12 National Security Complex (Y-12); Naval Dosimetry Center (NDC); Atomic Weapons Establishment (AWE); and Institut de Radioprotection et de Sûreté Nucléaire (IRSN). MSTS dosimeters were included in the irradiations but not reported for evaluation. This report primarily discusses the performance of the 24 hour results submitted by participants, though available final results are briefly discussed. Information for each irradiation performed is provided for participating laboratories to produce their own final report which will be incorporated into the CED-4a report.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Biochemical Conversion of Lignocellulosic Biomass to Hydrocarbon Fuels and Products: 2022 State of Technology and Future Research

The annual State of Technology (SOT) assessment is a key activity for biochemical platform research. It allows the impact of research progress (both directly achieved in-house at the National Renewable Energy Laboratory [NREL] and indirectly extrapolated from available public data) to be quantified in terms of economic improvements in the overall cellulosic biofuel production process for a particular conversion pathway. As such, initial benchmarks can be established for currently demonstrated performance and progress can be tracked toward out-year goals to ultimately demonstrate cost-competitive biofuel technology. Building upon efforts to progress NREL's biochemical platform R&D work toward ultimate 2030 goals to demonstrate less than $2.50/gallon gasoline equivalent (GGE) fuel selling prices, experimental and techno-economic analysis (TEA) activities have primarily focused on "advanced" biochemical processing strategies to fuels and coproducts, guided by TEA modeling to highlight key barriers and priorities toward achieving this goal across a number of potential bioconversion pathways. The purpose of the present effort is to benchmark the latest experimental developments for these pathways as quantified by modeled minimum fuel selling prices (MFSPs), as a measure of current status relative to those final targets. For this SOT, TEA models were run for two separate biological conversion pathways to fuels, based on available data for integrated biomass deconstruction and hydrolysate processing; namely carboxylic acids (primarily butyric acid) and diols (2,3-butanediol [BDO]), reflecting NREL's recently published 2018 biochemical design report focused on those two pathways. The models were run across two scenarios for lignin utilization, namely combustion and conversion to value-added coproducts.

09 BIOMASS FUELS↗
DOE OSTI2021

Ex Situ Catalytic Fast Pyrolysis of Lignocellulosic Biomass to Hydrocarbon Fuels: 2020 State of Technology

Biomass catalytic fast pyrolysis (CFP) research was funded by the Bioenergy Technologies Office (BETO) of the U.S. Department of Energy (DOE) to enable technical breakthroughs to help reduce the cost of conversion of biomass to liquid hydrocarbon fuels. The key goals were to achieve a mature plant modeled Minimum Fuel Selling Price of $3/GGE, with greater than 60% greenhouse gas (GHG) reduction over petroleum derived gasoline by 2022. Experimental results at NREL and PNNL, along with lifecycle analysis by ANL show that we achieved these goals based on performance at the bench scale. A Pt/TiO2 catalyst was used in a fixed bed reactor for upgrading pyrolysis vapors from an upstream fast pyrolysis reactor (ex-situ configuration) to produce CFP oil with 16.5% oxygen content. Subsequent co-hydrotreating of 10 vol% of CFP oil with 90 vol% straight run diesel (SRD) at the bench scale yielded greater than 95% carbon efficiency for the CFP oil portion of the feed. Light oxygenated coproducts were recovered from the off gases from the CFP process via adsorption and subsequent desorption. Aspen Plus modeling of purification of the desorbed stream using the UNIFAC property method showed that acetone and methyl-ethyl-ketone can be purified to chemicals grade and sold as coproducts to benefit the economics and reduce GHG emissions attributed to the fuel product. Some of the key risks and uncertainties associated with this process, and potential future work are mentioned in this report.

09 BIOMASS FUELS↗
DOE OSTI2023

Texas A&M University Mobile Facility Measurements during TRACER (Field Campaign Report)

One of the main goals of the U.S Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) Tracking Aerosol Convection Interactions Experiment (TRACER) near Houston, Texas is to improve understanding of how meteorology and aerosols impact storm dynamical and microphysical processes in deep convection to better constrain and improve their model representation. The Houston area is strongly influenced by sea- and bay-breeze circulations that generate convergence and help to initiate and organize deep convection. To properly isolate and understand the roles of varied meteorological conditions and cloud condensation nuclei (CCN) and ice nucleation particles (INP) distributions in different air masses, co-located thermodynamic, kinematic, and aerosol vertical profile observations are needed. The focus of this campaign was to provide key measurements in air masses both in front of and behind sea/bay breeze fronts moving through the greater Houston area to sample the airmass heterogeneity. The overarching scientific goal of this campaign is to understand how the vertical distributions of both CCN and INP correspond to the inflow layer of deep convection in maritime, background continental, and polluted continental air masses, and how these variations influence deep convection. To fully sample the heterogeneity in both meteorological conditions and aerosols across the sea-breeze front (SBF), Texas A&M University (TAMU) deployed a InterMet 3050A 403 MHz mobile unit launching iMet-4 radiosondes and the new Rapid Onsite Atmospheric Measurement Van (ROAM-V) for aerosol sampling during the TRACER intensive operational period (IOP) from June to September 2022. The suite of instruments deployed on ROAM-V included a condensation particle counter (CPC; GRIMM Model 5.403 CPC), scanning mobility particle sizer (SMPS; TSI 3750 detector, TSI 3082 classifier, TSI 3088 neutralizer, TSI 3081A differential mobility analyzer), cloud condensation nuclei counter (Droplet Measurement Technologies CCN counter), micropulse lidar (Droplet Measurement Technologies micropulse lidar [miniMPL]), and a Davis Rotating Uniform size-cut Monitor (DRUM; DRUMAir 4-DRUM). Before sampling at each location, the latitude and longitude were recorded using the Global Positioning System (GPS) on the phone application “My Altitude”. The DRUM data were collected as part of a closely related ARM field campaign and also supported by DOE Atmospheric System Research grant DE-SC0021047. The TAMU team sampled these airmass heterogeneities by strategically choosing deployment sites in a different airmass than the ARM fixed sites in La Porte and Guy, Texas. On days when the sea/bay breeze boundary was pushing inland, the TAMU team would usually sample the airmass on the maritime side of the SBF at a coastal site in Galveston, Texas in the early afternoon (1730-1900 UTC) and then move inland ahead of the SBF to sample the airmass on the continental side during late afternoon (2030-2230). Figure 1 shows the Galveston maritime site and the array of sites for the late afternoon continental measurements.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Observational ozone datasets over the global oceans and polar regions (version 2024)

Studying tropospheric ozone over the remote areas of the planet, such as the open oceans and the polar regions, is crucial to understand the role of ozone as a global climate forcer and regulator of atmospheric oxidative capacity. A focus on the pristine oceanic and polar regions complements the available land-based datasets and provides insights into key photochemical and depositional loss processes that control the concentrations and spatiotemporal variability in ozone as well as the physicochemical mechanisms driving these patterns. However, an assessment of the role of ozone over the oceanic and polar regions has been hampered by a lack of comprehensive observational datasets. Here, we present the first comprehensive collection of ozone data over the oceans and the polar regions. The overall dataset consists of 77 ship cruises/buoy-based observations and 48 aircraft-based campaigns. The dataset, consisting of more than 630 000 independent ozone measurement data points covering the period from 1977 to 2022 and an altitude range from the surface to 5000 m (with a focus on the lowest 2000 m), allows systematic analyses of the spatiotemporal distribution and long-term trends over the 11 defined ocean/polar regions. The datasets from ships, buoys, and aircraft are complemented by ozonesonde data from 29 launch sites or field campaigns and by 21 non-polar and 17 polar ground-based station datasets. The datasets contain information on how long the observed air masses were isolated from land, as estimated by backward trajectories from the individual observation points. To extract observations representative of oceanic conditions, we recommend using a subset of the data with an isolation time of 72 h or longer, from the analysis with coincident radon observations. These filtered oceanic and polar data showed typically flat diurnal cycles at high latitudes, whereas daytime decreases in ozone (11 %–16 %) were observed at lower latitudes. The ship/buoy- and aircraft-based datasets presented here will supplement the land-based ones in the TOAR-II (Tropospheric Ozone Assessment Report Phase II) database to provide a fully global assessment of tropospheric ozone. The described dataset is available at https://doi.org/10.17596/0004044 (Kanaya et al., 2025).

Kanaya, Yugo [Japan Agency for Marine-Earth Scienc↗
DOE OSTI2022

2022 GETEM Geothermal Drilling Cost Curve Update

The Geothermal Electricity Technology Evaluation Model (GETEM) is an essential tool for the U.S. Department of Energy's (DOE) Geothermal Technologies Office (GTO) to understand the performance and cost of technologies it is seeking to improve. This detailed model is used for supply curve analyses, assessing the current economic feasibility and levelized cost of energy (LCOE) of hydrothermal geothermal systems and enhanced geothermal systems (EGS), and evaluating the potential impact of advanced geothermal technologies. GETEM can be used to estimate the performance and costs of currently available U.S. geothermal power systems. It is also used to estimate the costs of technologies 5 to 20 years in the future, given the direction of potential research, development, and demonstration (RD&D) projects. The model is intended to help GTO determine which proposed RD&D programs and projects might offer the most efficient improvement when using taxpayer funding. The model requires annual updates as well as revisions to reflect the current state of the art. Drilling costs are a significant portion of total geothermal development costs. The current GETEM drilling cost inputs rely on drilling data from 2009 and require an updated analysis of more recent data to ensure they remain representative of current technologies. An updated, more accurate understanding of costs could help the geothermal industry secure project development financing and investment funding and better allow the oil and gas (O&G) industry (both operators and service companies) to weigh potential geothermal market participation and customization. This report details recent drilling improvements from the Utah Frontier Observatory for Research in Geothermal Energy (FORGE) and the O&G sector, comparing drilling performance and costs with values in GETEM, particularly the baseline drilling cost curves. Although drilling performance at FORGE has improved significantly, we did not find associated cost decreases that would justify lowering the GETEM baseline cost curves at this time.

API↗
NASA NTRS2023

2021-2022 Long-Term Groundwater Monitoring Report Industrial Area Kennedy Space Center, Florida

This report presents the groundwater sampling results from the National Aeronautics and Space Administration (NASA) Industrial Area (IA) 2021-2022 Long-Term Monitoring (LTM) activities and results of the 2023 DPT activities at three of the sites. The NASA IA LTM Program includes the following 14 sites: - Ransom Road Landfill (RRLF) – Solid Waste Management Unit (SWMU) 003 - Orsino Storage Yard (ORSY) – SWMU 004 - Building M7-0505 Treatment Tank Area (M505) – SWMU 039 - Hypergol Maintenance Facility Hazardous Waste South Staging Area (HMF South) – SWMU 070 - Operations and Checkout Building (O&C) – SWMU 076 - Vertical Processing Facility (VPF) – SWMU 077 - Environmental Health Facility (EHF) – SWMU 079 - Kennedy Athletic, Recreation, and Social Park 1 (KARS Park 1) – SWMU 084 - Engineering Development Laboratory (EDL) – SWMU 085 - Launch Equipment Test Facility (LETF) – SWMU 091 - Mobil Service Station (MOBIL) – SWMU 093 - General Services Administration Seized Property (GSSP) – SWMU 095 - Space Station Processing Facility (SSPF) – SWMU 098 - Fuel Storage Area #1 Underground Storage Tank (UST) [Building 1044] (FSA1) – Potential Release Location (PRL) 157 Groundwater levels were gauged at each site during the 2021 and 2022 LTM field activities. Sampling events for the IA LTM Program are conducted seasonally during the dry and wet seasons, which occur in May and November, respectively. The sites in the NASA IA LTM Program are sampled on annual, biennial, or 5-year sampling frequencies based on historical trends. Due to contract transitions and monitoring well installations, 2021 dry season activities were conducted during September 2021, while dry season activities for 2022 resumed in May 2022.

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