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All sourcesNASA NTRSDOE OSTI
NASA NTRS2008

2008 NASA Range Safety Annual Report

Welcome to the 2008 edition of the NASA Range Safety Annual Report. Funded by NASA Headquarters, this report provides a NASA Range Safety overview for current and potential range users. This year, along with full length articles concerning various subject areas, we have provided updates to standard subjects with links back to the 2007 original article. Additionally, we present summaries from the various NASA Range Safety Program activities that took place throughout the year, as well as information on several special projects that may have a profound impact on the way we will do business in the future. The sections include a program overview and 2008 highlights of Range Safety Training; Range Safety Policy; Independent Assessments and Common Risk Analysis Tools Development; Support to Program Operations at all ranges conducting NASA launch operations; a continuing overview of emerging Range Safety-related technologies; Special Interests Items that include recent changes in the ELV Payload Safety Program and the VAS explosive siting study; and status reports from all of the NASA Centers that have Range Safety responsibilities. As is the case each year, contributors to this report are too numerous to mention, but we thank individuals from the NASA Centers, the Department of Defense, and civilian organizations for their contributions. We have made a great effort to include the most current information available. We recommend that this report be used only for guidance and that the validity and accuracy of all articles be verified for updates. This is the third year we have utilized this web-based format for the annual report. We continually receive positive feedback on the web-based edition, and we hope you enjoy this year's product as well. It has been a very busy and productive year on many fronts as you will note as you review this report. Thank you to everyone who contributed to make this year a successful one, and I look forward to working with all of you in the years to come.

Lamoreaux, Richard W.↗
DOE OSTI2026

Advanced Characterization of Wastewaters with a Focus on the Environment & Economics (Final Technical Progress Report)

This project, funded by the U.S. Department of Energy under award DE-FE0032457 and conducted at the University of Illinois at Urbana-Champaign, focused on advancing the characterization of coal combustion residual (CCR) effluents. The primary objectives were to develop analytical methods for detecting major cations, anions, trace metals, and rare earth elements (REEs) in CCR wastewater, assess environmental impacts, and explore opportunities for resource recovery. The project advanced the development of a "One-Shot" analysis system designed to simultaneously analyze multiple analytes in CCR effluents.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2020

Reversed Field Pinch Research in MST (Final Technical Report)

This is the Final Technical Report for the cooperative agreement DE-FC02-05ER54814 titled “Reversed Field Pinch Research in MST” spanning the funding period 4/1/2005 to 12/14/2019. It summarizes key results from MST research, major publications and presentations, and the mentoring of graduate students and postdocs. The Madison Symmetric Torus (MST) is unique within the U.S. and world fusion plasma program. As one of just five operating reversed field pinch (RFP) experiments, and the only one in the U.S., MST has had an important role in advancing the fundamental understanding of the RFP plasma configuration. The MST research program targets topics that intersect with all three goals. While MST provides a unique opportunity to advance the science and fusion potential of the RFP, as a cousin to the tokamak and stellarator plasma configurations the RFP is a valuable partner in establishing validated predictive capability for fusion science more generally. Specific combinations of the major variables in toroidal confinement, like magnetic field strength, plasma current, and shaping, define the different configurations. By exploring adjacent regions in this major variable parameter space, the RFP exposes dependencies not otherwise accessible in the tokamak and stellarator. This diversity enlarges the arena for scientific discovery, both for fusion and plasma physics. The basic science emphasis for MST research has been the self-organizing behavior of RFP plasmas. This inspired MST’s participation in the NSF Physics Frontier Center for Magnetic Self-Organization in Laboratory and Astrophysical Plasmas (CMSO), which ran from 2004-2016 and motivated a substantial fraction of MST’s research goals and capabilities. By all measures the MST Program has been remarkably successful in publications, community engagement, and mentoring of young scientists. While the DOE-FES’s proof-of-principle program for the RFP now languishes through the cessation of this cooperative agreement, operation of MST continues as one of two devices included in the new Wisconsin Plasma Physics Laboratory (WiPPL) basic science user facility. The scope of present research for MST in WiPPL is narrowed to the basic science associated with the RFP magnetic configuration and the advancement of specific fusion topics, which now includes studies of disruptions in tokamak plasmas. The world’s effort in RFP fusion research continues, despite a lack of U.S. federal support to investigate the RFP configuration for fusion application, most notably through a major upgrade to the RFX-mod2 facility in Italy [1] and the recent construction of the KTX facility at USTC in China. First plasmas for RFX-mod2 are anticipated in 2021.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Versatile & Intelligent Biodetection via Environmental Sensing (VIBES)

Reactive health monitoring strategies during events like the COVID-19 pandemic highlighted the need for predictive, threat-agnostic diagnostics that can detect both known diseases and novel chemical or biological threats. To address this, we investigated an optical biosensor as a breath volatile organic compound (VOC) analyzer, aiming to emulate biological olfaction. We assembled and validated the device with thin film metal coated substrate-based sensors. We immobilized small biological recognition elements on the substrates and delivered controlled concentrations of target VOCs. The sensor was irradiated with a visible laser and the sensor signal was recorded. We characterized the laser performance and tested 3 recognition elements for 2 VOCs with varying concentrations (1-100 ppm). We also evaluated enhancement of the signal using nanostructures on the metal film in comparison with planar film substrate. We demonstrated detecting ethanol reliably at concentrations as low as ~2 ppm along with preliminary detection of acetone (<100 ppm). We also found several unexpected factors that influence the sensor behavior that should be addressed to further refine the device’s performance. The nanostructures were, as expected, found to amplify the sensor signals. These findings demonstrate the feasibility of the optical bio-sensing modality for breath VOC monitoring at physiologically relevant levels. This positions LLNL to develop a low-cost, scalable, broad-spectrum health monitoring capability aligned with the Early Detection thrust of the Bioresilience Mission Focus Area and attract external funding.

47 OTHER INSTRUMENTATION↗
NASA NTRS2017

Development of a Novel Space Flight Plan to Monitor Female Mice Fertility Using Reduced Crew Time

Ovarian estrogen impacts the normal homeostatic and metabolic processes of all tissues and organ systems within the body: particularly, but not limited to canonical space-flight impacted systems: bone, muscle, immune, wound repair, and cardiovascular. Effects of space flight on the ovarian estrogen production are therefore critical to our understanding of all space flight experiments using female mice, the current paradigm being used on the International Space Station (ISS). Recently, we demonstrated that vaginal wall histology could be used to determine the stage of the estrous cycle in female mice at the time of sacrifice in space. Moreover, this robust technique was completed following two post-flight freezethaw procedures of the carcasses (RR1 experiment). Thus, this technique represents a viable mechanism to determine the estrous cycle status of the female at the time of sacrifice and can be completed in a manner that does not impact primary experimental objectives. We propose that vaginal wall histology become a standard procedure completed on all mice sacrificed in space and that the individual estrous status of each animal be shared with all investigators. While evidence of estrous cyclicity was present in long-term (33 day) RR1 mice, fertility of female mice exposed to weightlessness remains unknown. In preparation for an upcoming funded NASA flight investigating the effects of long duration spaceflight on female fertility, we have refined our experimental design to minimize crew flight time and to accommodate the duration of Dragon capsule berth. These refinements maintain all our proposed primary and secondary experimental objectives. Briefly, in order to evaluate fertility, we will super ovulate mice using standard procedures (PMSG hCG), followed by collection of reproductive tract after follicular stimulation alone (PMSG) or following ovulation (hCG). Ovarian folliculogenesis and ovulation rate will be determined in fixed tissues following return in order to determine fertility. Ovarian and uterine tissues will also be evaluated by hormonal and gene expression profiling using quantitative approaches (radioimmunoassays, western blots, digital droplet PCR). Comparisons will be made to contemporary vivarium and Rodent Research Hardware Transporter and Habitat housed animals maintained on earth. Supported by NNX15AB48G to JST.

Christenson, Lane↗
DOE OSTI2023

WHONDRS River Corridor Sediment and Water Geochemistry and In Situ Sensor Data from Machine-Learning-Informed Sites across the Contiguous United States (v6)

This dataset supports a broader study examining hyporheic zone respiration rates to improve predictive models at a contiguous United States (CONUS) scale. The CONUS-Scale Model-Sample Study (CM) was designed following ICON (integrated, coordinated, open, and networked) principles to facilitate a model-experiment (ModEx) iteration approach, leveraging crowdsourced sampling across the CONUS. New machine learning models were created every month to guide sampling locations. Data from the resulting samples were used to test and rebuild the machine learning models for the next round of sampling guidance. Sampling began in April 2022 and ended in October 2023. In addition to the widely distributed CONUS sites, a more spatially focused sampling occurred in the Yakima River Basin, WA in summer 2022. Data from this more spatially intensive sampling occurred under the label “Second Spatial Study (SSS)” and were also included in the machine learning models. Other data types collected from SSS that were not part of CM were published in a separate data package (https://data.ess-dive.lbl.gov/view/doi:10.15485/1969566). This data package was originally published in February 2023. It was updated in June 2023 (v2; new and modified files); December 2023 (v3; new and modified files); June 2024 (v4; new and modified files); April 2024 (v5; new and modified files); and September 2025 (v6; modified files). See the change history section in the readme for more details. For details on how to navigate data packages generated by this project, see https://data.ess-dive.lbl.gov/portals/PNNLRiverCorridorSFA/About. This dataset is comprised of two folders of field photos and videos, one folder of raw Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) data and one main data folder containing (1) file-level metadata; (2) data dictionary; (3) field metadata; (4) readme; (5) international generic sample number (IGSN) mapping file; (6) field protocols; (7) a subfolder with sample data; and (8) a subfolder with sensor data. The sample data subfolder contains (1) surface water and sediment dissolved organic carbon (DOC, measured as non-purgeable organic carbon, NPOC) data and averages; (2) surface water and sediment total nitrogen data and averages; (3) surface water major cations and anions and averages; (4) sediment grain size data; (5) sediment iron (II) data and averages; (6) wet sediment mass, dry sediment mass, water mass, and wet sediment volume in incubation and sediment ICR vials; (7) sediment incubation respiration rate data and averages; (8) normalized respiration rate data and averages; (9) methods codes; (10) sediment specific surface area; (11) sediment percent carbon and nitrogen; (12) sediment gravimetric moisture and averages; (15) sediment X-ray diffraction (XRD) data; (16) sediment adenosine triphosphate (ATP) and averages; (17) a subfolder with sediment incubation respiration data, scripts, and plots; (18) surface water and sediment FTICR methods; and (19) a subfolder of 9.4 Tesla (9.4T) FTICR-MS data. This folder contains five subfolders, one containing the sediment .xml data files, one containing the water .xml files, one containing the sediment CoreMS output files, one containing the water CoreMS output files, and the other containing instructions and scripts for processing the files in CoreMS (https://github.com/EMSL-Computing/CoreMS).The sensor data subfolder contains (1) a subfolder with miniDOT dissolved oxygen and temperature data and plots; (2) miniDOT dissolved oxygen and temperature summary data; and (3) miniDOT installation methods. All files are .csv, .pdf, .R, .xml, .d, .html, .Rmd, .py, .cal, .json, .jpg, .jpeg, .png, .mov, or .mp4. CORRECTION: Carbon and nitrogen content are reported as percentages. The current column headers "01395_C_percent_per_mg" and "01397_N_percent_per_mg" are incorrect. These should read "01395_C_percent" and "01397_N_percent" and will be corrected in the next version of this data package. We thank the United States Forest Service, Washington Department of Fish and Wildlife, Washington Department of Natural Resources, Cowiche Canyon Conservatory, Washington State Parks and Recreation Commission (Scientific Research Permit #210901), and the Confederated Tribes and Bands of the Yakama Nation for access to field locations where the samples labeled “SSS” were collected. We also thank the Yakama Nation Tribal Council and Yakama Nation Fisheries for working with us to facilitate sample collection and optimization of data usage according to their values and worldview. WHONDRS consortium members were asked to provide any acknowledgments for the collection of samples labeled “CM” and the following is a list of acknowledgments that were submitted with their corresponding Site IDs: (MART) Research activities were conducted in part on the Wind River Experimental Forest within the Gifford Pinchot National Forest; (MP- 100379) Philadelphia is part of Lenapehoking, the ancestral homelands of the Lenape peoples; (MP-102398) Land surveyed is the ancestral homelands of the Nookhose'iinenno (Arapaho), Tsis tsis'tas (Cheyenne), and Nuuchu (Ute); (MP-100749 and MP- 100747) Georgia Coastal Ecosystem LTER, OCE-1832178; (SP-70 and SP-72) Eastern Shoshone, Shoshone-Bannock; (MP- 102944) Funded by Oregon Watershed Enhancement Board. On the traditional lands of the Confederated Tribes of the Siletz, Confederated Tribes of the Grand Rhonde, and the Clatsop-Nehalem Confederated Tribe; (MP- 100607) Holiday Creek is located on the traditional territory of the Monacan Indian Nation; (SP-45) Lafayette Blue Springs State Park; (MP-102420) NSF DEB-2016749; (MP-100019) New Hampshire Agriculture Experiment Station; (SP-35) Rayonier (land owner; https://www.rayonier.com/); (MP- 101276) US Department of Energy, Office of Science, Biological and Environmental Research, Subsurface Biogeochemical Research, Watershed Dynamics and Evolution SFA at ORNL; (MP- 103224) Watershed Dynamics and Evolution SFA at ORNL; (MP- 101584) Traditional lands of the Oceti Sakowin (Dakota, Lakota, Nakoda) and Anishinaabe Peoples.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1992

Introduction to Space Station Freedom

NASA field centers and contractors are organized to develop 'work packages' for Space Station Freedom. Marshall Space Flight Center and Boeing are building the U.S. laboratory and habitation modules, nodes, and environmental control and life support system; Johnson Space Center and McDonnell Douglas are responsible for truss structure, data management, propulsion systems, thermal control, and communications and guidance; Lewis Research Center and Rocketdyne are developing the power system. The Canadian Space Agency (CSA) is contributing a Mobile Servicing Center, Special Dextrous Manipulator, and Mobile Servicing Center Maintenance Depot. The National Space Development Agency of Japan (NASDA) is contributing a Japanese Experiment Module (JEM), which includes a pressurized module, logistics module, and exposed experiment facility. The European Space Agency (ESA) is contributing the Columbus laboratory module. NASA ground facilities, now in various stages of development to support Space Station Freedom, include: Marshall Space Flight Center's Payload Operations Integration Center and Payload Training Complex (Alabama), Johnson Space Center's Space Station Control Center and Space Station Training Facility (Texas), Lewis Research Center's Power System Facility (Ohio), and Kennedy Space Center's Space Station Processing Facility (Florida). Budget appropriations impact the development of the Space Station. In Fiscal Year 1988, Congress appropriated only half of the funds that NASA requested for the space station program ($393 million vs. $767 million). In FY 89, NASA sought $967 million for the program, and Congress appropriated $900 million. NASA's FY 90 request was $2.05 billion compared to an appropriation of $1.75 billion; the FY 91 request was $2.45 billion, and the appropriation was $1.9 billion. After NASA restructured the Space Station Freedom program in response to directions from Congress, the agency's full budget request of $2.029 billion for Space Station Freedom in FY 92 was appropriated. For FY 93, NASA is seeking $2.25 billion for the program; the planned budget for FY 94 is $2.5 billion. Further alterations to the hardware configuration for Freedom would be a serious setback; NASA intends 'to stick with the current baseline' and continue planning for utilization.

Kohrs, Richard↗
DOE OSTI2021

Application of Machine Learning to Improve Biobased Glucaric Acid Production (CRADA 504)

The Agile Biofoundry (ABF) is a multi-national lab consortium funded by the DOE Bioenergy Technologies Office that has developed a biofoundry that enables the rapid deployment of bioproducts into the market. Working with four ABF laboratory members (National Renewable Energy Laboratory (NREL), Pacific Northwest National Laboratory (PNNL), Lawrence Berkeley National Laboratory (LBNL), and Argonne National Laboratory (ANL)), Kalion will use advanced high throughput techniques, advanced analytics, and machine learning to optimize the production environment for glucaric acid. Low-cost, high-purity glucaric acid enables products in a wide range of fields to improve the chemical properties of products and applications ranging from water treatment, polymers & textiles, coatings, detergents, and pharmaceuticals. With its broad range of applications, glucaric acid has the potential to demonstrate how such bio-based materials offer great benefit to the US economy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Williston Basin Resource Study for Commercial-Scale Subsurface Hydrogen Storage

This closeout presentation summarizes a Department of Energy–funded study that evaluated whether large amounts of hydrogen can be safely stored underground in the North Dakota portion of the Williston Basin. The project combined lab testing, computer simulations, and basin‑wide analysis to assess saline formations, depleted oil and gas reservoirs, and salt formations for hydrogen storage capacity, recovery, and risks. Results show that underground hydrogen storage is technically feasible across multiple formation types, with depleted oil and gas reservoirs offering higher recovery and saline formations providing large long‑term storage potential. The study also identifies key challenges—such as wellbore material durability and gas purity management—and recommends pilot projects and further site‑specific studies to support future commercialization.

08 HYDROGEN↗
NASA NTRS2017

Program Options to Explore Ocean Worlds

Including Earth, roughly a dozen water ocean worlds exist in the solar system: the relict worlds Ceres and Mars, vast oceans inside most of the large Jovian and Saturnian icy moons, and Kuiper Belt Objects like Triton, Charon, and Pluto whose geologies are dominated by water and ammonia. Key pieces of the ocean-world science puzzle – which when completed may reveal whether life is widespread in the cosmos, why it exists where it does, and how it originates – are distributed among them. The eventual exploration of all these worlds will yield humanity’s total tangible knowledge about life in the universe, essentially forever. Thus, their exploration has existential significance for humanity’s self-regard, and indeed perhaps of our place in the natural scheme. The matter of planning how to pursue such a difficult and unprecedented exploration opportunity is therefore historic. The technical challenges are formidable, far harder than at Mars: missions to the Jovian and Saturnian ocean worlds are severely power-limited; trip times can be as much as a half decade and decade, respectively. And the science targets are global-scale oceans beneath kilometers of cryogenic ice. Reaching and exploring them would be a multi-generational undertaking, so again it is essential to plan and prepare. Today, we lack the instrumentation, subsystems, and remote operational-intelligence technologies needed to build and use exploration avatars as good as what we can envision needing. Each ocean world holds a piece of the puzzle, but the three priority targets are Europa at Jupiter, and Enceladus and Titan at Saturn. As with the systematic exploration of Mars, exploring these diverse worlds poses a complex technical and programmatic challenge – a strategic challenge – that needs to be designed and managed if each generation is to see its work bear fruit, and if the space science community is to make most effective use of the public money devoted to the quest. Strategic programs benefit from coherence. In only 15 years, the Mars Exploration Program (MEP) has transformed humanity’s view of Mars as a once and future habitable place, a world quite possibly holding relict evidence of life. Finding such evidence, we would study it to know if that life shared an origin common with Earth life. However, life in the ocean worlds could not have shared our origin, so exploring them opens another level in our quest to understand life in the universe: not only to places with vast salt-water seas known to contain organics and hydrothermal seafloors active today, but to places where anything alive cannot be related to us. MEP’s success – from its presence in the public consciousness to its rewriting of planetary habitability – make it an obvious template and source of lessons learned for a viable ocean worlds exploration program (OWEP). Six attributes of the MEP are analyzed for application to a potential OWEP. From this, five hypothetical programmatic scenarios are compared to the default case, and conclusions drawn. A coherent OWEP should have several parts: first, dedicated continuous investment in enabling technologies; and second, two directed-purpose, medium-class (~$1B) missions per decade that conduct pivotal investigations on a documented roadmap. Science could start in 2035, informing development of decadal flagship missions after Europa Clipper, to the places revealed to hold the most promise. The fastest pace of scientific discoveries would require access to high-performance propulsion infrastructure, e.g., the Space Launch System, Falcon Heavy, and high-power in-space solar electric propulsion, all capable of halving trip time. Not including these boosts, such a program would cost about a half-billion dollars more per year than NASA’s existing mission portfolio; the program architecture funded today cannot deliver a strategic OWEP while also sustaining balance among other solar system exploration priorities and opportunities.

Naderi, F.↗
NASA NTRS2012

Voluntary Consensus Organization Standards for Nondestructive Evaluation of Thin-Walled Metallic Liners and Composite Overwraps in Composite Overwrapped Pressure Vessels

NASA fracture control requirements outlined in NASA-STD-5009 and NASA-STD-5014 are predicated on the availability and use of sensitive nondestructive evaluation (NDE) methods that can detect and monitor defects, thereby providing data that can be used to predict failure or reduce the risk of failure in fracture critical components. However, in the case of composite materials and components, including composite overwrapped pressure vessels (COPVs), the effect of defects is poorly understood, the NDE methods used to evaluate locate and size defects are typically at lower technical readiness level than analogous NDE methods used for metals, and demonstration studies to verify the probability of detection (POD) are generally lacking or unavailable. These factors together make failure prediction of fracture critical composite materials and components based on size, quantity, or orientation of defects nearly impossible. Also, when inspecting metal liners in as-manufactured COPVs, sensitivity is lost and only the inner surface of the liner is accessible. Also, NDE of COPVs as applied during manufacturing varies significantly from manufacturer to manufacturer and has not yet been standardized. Although requirements exist to perform NDE immediately after manufacturing to establish initial integrity of the parts, procedural detail for NDE of composites is still nonexistent or under development. For example, in practice, only a visual inspection of COPVs is performed during manufacturing and service, leaving in question whether defects of concern, for example, bridging, overwrap winding anomalies, impact damage below visible threshold, out-of-family strain growth, and liner buckling have been adequately detected and monitored. To address these shortcomings, in 2005 the NASA Nondestructive Evaluation Working Group (NNWG) began funding work to develop and adopt standards for nondestructive evaluation of aerospace composites in collaboration with the American Society for Testing and Materials (ASTM) Committee E07 on Nondestructive Testing. Similarly, in 2006 the NASA Engineering and Safety Center (NESC) recommended that nondestructive evaluation methods that can predict composite failure in COPVs should be developed and verified, and integrated into the damage control plan for these vessels

Waller, Jess↗
DOE OSTI2024

WETO Software Stack Best Practices

Wind energy researchers typically share one key characteristic: a passion for increasing wind energy in the global energy mix. The U.S. Department of Energy (DOE) supports this mission in a number of ways including allocating funding directly to various aspects of wind energy research through the Office of Energy Efficiency and Renewable Energy (EERE) via the Wind Energy Technologies Office (WETO). While the traditional output of research is academic publication, software development efforts are increasingly a major focus. Software tools in the research environment allow researchers to describe an idea and quickly increase the scope and scale as they study it further. As a product of research, these tools represent a direct pipeline from researcher to industry practitioners since they are the implementation of ideas described in academic publications. Given this vital role in wind energy research and commercial development, the broad research software portfolio supported by WETO must maintain a minimum level of quality to support the wind energy field in the growing transition to renewable energy. This report outlines a series o f best practices to be adopted by all WETO-supported software projects, as well as expectations that the communities interacting with these projects should have of the developers and tools themselves. Wind energy research software has a unique standing in the field of scientific software. The stakeholders are varied with a subset being: (1) DOE EERE leadership, (2) DOE WETO leadership and program managers, (3) National lab leadership, (4) Associated project principle investigators, (5) Research software engineers, (6) Wind energy researchers in academia (including graduate students, post docs, and national lab staff), (7) Industry researchers and practitioners, (8) Commercial software developers, and (9) The general public interested in wind energy. These software are typically the end-user of other generic software libraries, so the funding cycles are often tied to applied research rather than the development of the software itself. Since the developers are also wind energy researchers, these tools are typically designed in a way that closely resembles the application in which they're used. Additionally, the expertise and incentives for the developers have a high variability, and often neither are aligned with software engineering or computer science. Given the unique environment in which wind energy research software is produced and consumed, it is critical for model owners to understand the context of their software. A framework for developing this understanding is to answer the following questions of a given software project: What is it's purpose? What is its role in the field of wind energy? What is the profile of the expected users? For how long will it be relevant? What is the expected impact? These questions allow model owners to identify the appropriate methods for the design, development, and long term maintenance of their software. Additionally, the answer provide context for future planners to understand why particular decisions were made and discern the consequences of changing course. The information is aggregated from experience within WETO-supported software development groups as well as external organizations and efforts to define the craft of research software engineering. These best practices aim to make the collaborative development process efficient and effective while improving the model understanding across stakeholders. Additionally, the general adoption of a common framework for software quality ensures that the end users of WETO software can trust these tools and accurately understand the risks to workflow integration.

17 WIND ENERGY↗
DOE OSTI2026

Depth-resolved sagebrush root metabolomics, rhizosphere microbial communities, and geochemistry at the East River Watershed

This data set consists of results from soil nutrient profile, untargeted metabolomics, mass spec imaging, and amplicon sequencing. Data for soil nutrient profile includes common cations (Ca, Mg, Na, and K etc.) extracted from 3 digesting steps – ammonia acetate (for exchangeable cations), nitric acid (for acid dissolved fraction), and hydrofluoric acid/perchloric acid (HF/HClO4) for whole soil digestion. It also includes concentration of organic carbon, inorganic nitrogen (ammonia and nitrate) and phosphorus (Bray-1 P and nitric acid extract), and total nitrogen and phosphorus. Data for untargeted metabolomics includes metabolomic profile for root exudate/tissues and soil extracts from depths at surface soil to saprolite, that were measured using gas chromatography – mass spectrometry (GC-MS), and liquid chromatography – tandem mass spectrometry (LC-MS/MS). Data for mass spec imaging includes spatial distribution of metabolites that were detected and annotated with Fourier transformation ion cyclotron resonance mass spectrometer (FTICR-MS). Data for amplicon sequencing includes the base paired 16S and ITS ribosomal RNA sequences from Miseq Illumina sequencing. All samples were collected from 2 sampling campaign October 2022 and June 2023. Collectively, these datasets enable a mechanistic evaluation of how nutrient acquisition, especially nitrogen and phosphorus, differs between shallow roots operating in soil and deep roots functioning within the fractured bedrock zone. All files are provided as comma-separated values (CSV) fies (.csv) and (GZIP) file (.gz). The compressed .gz FASTQ files can be read directly in R using the dada2 package as part of the amplicon sequence analysis workflow. This work was supported by the Watershed Function Science Focus Area at Lawrence Berkeley National Laboratory funded by the US Department of Energy, Office of Science, Biological and Environmental Research under Contract No. DE-AC02-05CH11231. This research was performed on a project award 60563 (https://dx.doi.org/10.46936/expl.proj.2022.60563/60008727) from the Environmental Molecular Sciences Laboratory, a DOE Office of Science User Facility sponsored by the Biological and Environmental Research program under Contract No. DE-AC05-76RL01830.

EARTH SCIENCE > AGRICULTURE > SOILS > CARBON↗
NASA NTRS2022

Supporting Responsible Machine Learning in Heliophysics

Over the last decade, Heliophysics researchers have increasingly adopted a variety of machine learning methods such as artificial neural networks, decision trees, and clustering algorithms into their workflow. Adoption of these advanced data science methods had quickly outpaced institutional response, but many professional organizations such as the European Commission, the National Aeronautics and Space Administration (NASA), and the American Geophysical Union have now issued (or will soon issue) standards for artificial intelligence and machine learning that will impact scientific research. These standards add further (necessary) burdens on the individual researcher who must now prepare the public release of data and code in addition to traditional paper writing. Support for these is not reflected in the current state of institutional support, community practices, or governance systems. We examine here some of these principles and how our institutions and community can promote their successful adoption within the Heliophysics discipline.

Machine learning↗
DOE OSTI2026

Ab initio Molecular Dynamics Beyond Density Functional Theory

The funding from this award supported the development of new theoretical methods that both increase the accuracy of quantum simulations beyond that of density functional theory, as well as reduce the cost of such simulations, for example, through machine learning and algorithmic improvements. The improvements lead to, in some cases, orders of magnitude increases in simulation speed as well as orders of magnitude increase in accuracy, compared to before this work was started. This translates to both greater certainty in making predictions about chemical phenomena that are currently studied computationally, as well as laying the ground-work for the study of new areas of chemistry that have not traditionally been simulated, because of the new time-scales and accuracies that can be reached.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Developing an Undergraduate Research Laboratory for Experimental Physical Chemistry [Book Chapter]

Embarking on a faculty career in physical chemistry at a primarily undergraduate institution (PUI) is exciting, but also overwhelming. Becoming both an effective teacher and a productive researcher requires a good plan, hard work and support from others who understand what it takes to be successful. The phrase, “building a laboratory,” calls to mind the physical construction of a research instrument, but beginning a career at a PUI involves much more than assembling equipment. Funding for the lab must be secured, students must be recruited and mentored, and the lab must be overseen to keep things running on a daily basis. While many of these tasks would also be part of starting a career at a doctoral level institution, there are many special considerations that must be taken into account when working with undergraduate students because their laboratory experience and chemical knowledge are still within those beautiful but nascent stages. Here, this unique aspect makes building a research program challenging, but also very rewarding. Exposing young minds to the wonders of physical chemistry and building personal relationships through the mentoring process can be immensely gratifying. This chapter is a compilation of holistic advice for building an experimental physical chemistry research laboratory for undergraduates, reflecting a typical experience found in the United States.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

FY26 MID-YEAR REPORT 238 Pu Measurement in Bulk Environmental Samples by Thermal Ionization Mass Spectrometry (TIMS)

Funding was received in December 2026 to optimize a nascent measurement capability for mass spectrometry of 238 Pu, as it would apply to relevant environmental collections in safeguards applications, i.e. NWAL swipes or other bulk collections such as soil, sediment, waters, or air filters. The measurement relies on differing ionization temperatures for U and Pu during thermal ionization and therefore leverages TIMS to partially separate and measure these elements. Collected counts of 238 Pu can be mathematically corrected for interfering counts of background 238 U, by addition of a U tracer (e.g. 235 U) to account for the 238 U present. The method has undergone initial characterization at LANL regarding detection limit, precision, and accuracy but requires further applicability-testing for possible use in safeguards.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Selective Electrochemical Capture and Release of Uranyl in Solution (Final Report)

The goal of this project is to investigate the selective, electrochemical capture and release of uranyl ((UO 2 ) 2 +) from biphasic or heterogeneous mixtures using a class of cluster molecules, ortho-carboranes (Cb), containing selective binding groups. Possible applications in PUREX, seawater uranyl extraction, or in actinide/lanthanide (An/Ln) or Ln/Ln separations are envisioned. With this funding, we sought to achieve these goals by harnessing the redox-switchable chelating properties of the “closo” Cb to the reduced “nido” Cb enabling the electrochemical control of the ligand bite angle. Using this premise, specific goals include: 1) integrating new selective coordinating groups (L) onto the carbon positions of Cb for the selective capture and release of uranyl, and; 2) anchoring these selective carboranes onto electrode and/or heterogeneous surfaces for the selective, heterogeneous capture and release of uranyl from aqueous solutions under flow conditions. Overall, this work focuses on advancing our understanding and controlling the properties of this new platform for metal capture and release chemistry which, we believe, has the potential for broader applicability in the separation sciences.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗