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DOE BSSD Performance Management Metrics Report Q1

Microbes play key roles in our biosphere, from driving global nutrient cycling to impacting plant, animal and human health and disease. Complex data from microbial genomes, proteins, and metabolites provide a window into these tiny engines that drive life on our planet. Yet these data are dispersed among researchers’ laboratories and various repositories, making it difficult to access. This calls for new ways of managing data, improving data interoperability, advancing community standards, and creating an infrastructure where data are shared efficiently. We have built the National Microbiome Data Collaborative (NMDC) to advance how scientists create, use, and reuse data to redefine the way we understand and harness the power of microbes. The vision of the National Microbiome Data Collaborative (NMDC) is to drive a microbiome data sharing network connecting data, people, and ideas to advance microbiome innovation and discovery. The NMDC was launched in 2019 and brought together DOE National Laboratories to collaborate across resources, capabilities, and expertise. The NMDC team was strategically assembled to include software developers, microbial researchers, metadata experts, and multi-omics specialists. The diversity of the NMDC team reflects the inherently interdisciplinary nature of microbiome science, and we leverage the strengths of the DOE National Laboratory system. Towards BER’s goal of advancing an iterative systems biology approach to the understanding of microbial genomes, the NMDC serves as a foundation for infrastructure, data standards, and community building. Together with the flagship DOE User Facilities, the Joint Genome Institute (JGI) and the Environmental Molecular Sciences Laboratory (EMSL), we are developing core capabilities in metadata standards for environmental descriptors and sample handling and processing; standardized bioinformatic workflows; an interface for data search and access; and robust community engagement activities. The NMDC production platform supports long-term data infrastructure and community building for BER’s bioenergy and environmental research goals. Our approach leverages lessons learned and an ambitious framework for collaborative, interdisciplinary data infrastructure to support microbiome research. The NMDC supports data, information, and knowledge access through three defined software tools – the Submission Portal, NMDC EDGE, and the Data Portal – driven by community needs. Herein, we describe the value proposition for the microbiome research community, our overarching strategy, and challenges and opportunities for developing the NMDC as both an infrastructure and community engagement program.

59 BASIC BIOLOGICAL SCIENCES↗

UCB-GLOBES: An open-access mass spectral database of identified and unidentified atmospheric organic compounds

Chemical characterization of atmospheric organic aerosols using gas chromatography with 70 eV electron ionization mass spectrometry (GC/EI-MS) has been used for decades in advancing molecular marker detection and identification, though primarily through suspect screening and/or targeted analyses. To advance non-targeted analyses of environmental samples, we have catalogued approximately 27 000 mass spectra (MS) of the trimethylsilyl derivatives of semi-volatile organic aerosol (OA) analytes in the open-access University of California Berkeley Goldstein Library of Organic Biogenic Environmental Spectra (UCB-GLOBES). Analytes were observed in ambient samples from the U.S. and the Central Amazon and/or laboratory simulations of secondary OA (SOA) formation. These samples are representative of OA under urban and biomass burning influences as well as SOA derived from biogenic precursors (e.g., isoprene, monoterpenes, sesquiterpenes) and biomass burning intermediates. MS are documented in UCB-GLOBES without regard to known chemical identity, annotated with extensive metadata such as sample source/experimental conditions, any structural information gained from MS analyses, and predicted chemical properties such as average carbon oxidation state and carbon number. UCB-GLOBES MS are compatible for importing into the NIST MS Search program, and we have also provided a Jupyter Notebook for MS visualization and comparisons. We demonstrate the utility of UCB-GLOBES through MS reanalyses of prior analytes observed in ambient data, finding a 20 % reduction in the number of analytes assigned to OA source categories reliant solely on time series correlation and an overall 11 % increase in new MS-based OA source categorization for the Southeast U.S. For 1513 analytes observed previously in the Central Amazon, we found 375 MS matches using UCB-GLOBES vs. 136 MS matches during prior analyses, representing a 14 % gain in newly confirmed or newly categorized OA species. While OA from laboratory oxidation experiments in UCB-GLOBES are highly diverse chemically, on average only 29 % of UCB-GLOBES MS have a mass spectral match to another MS entry in UCB-GLOBES and/or in databases of known compounds (i.e. NIST MS Database, Adams Essential Oil, MANE Flavor and Fragrance Company). This indicates that roughly 70 % of UCB-GLOBES MS are unique thus far, not observed more than once among the laboratory oxidation samples and ambient data in UCB-GLOBES MS. Further, only 18 % can be positively identified using these databases or known authentic standards. This points to a large gap between these laboratory simulations and ambient OA. Overall, the UCB-GLOBES database can be utilized for improving confidence in OA source categorization and/or identification, novel chemical marker discovery, tracking chemical diversity, de novo structure and properties prediction, and improving MS search and matching algorithms. This can ultimately inform future research priorities for the chemical characterization of atmospheric organic samples.

Mass spectrometry↗

Survey of gravitationally lensed objects in HSC imaging (SuGOHI) – X. Strong lens finding in the HSC-SSP using convolutional neural networks

ABSTRACT We apply a novel model based on convolutional neural networks (CNN) to identify gravitationally lensed galaxies in multiband imaging of the Hyper Suprime-Cam Subaru Strategic Program (HSC-SSP) Survey. The trained model is applied to a parent sample of 2350 061 galaxies selected from the $\sim$ 800 deg$^2$ Wide area of the HSC-SSP Public Data Release 2. The galaxies in HSC Wide are selected based on stringent pre-selection criteria, such as multiband magnitudes, stellar mass, star formation rate, extendedness limit, photometric redshift range, etc. The trained CNN assigns a score from 0 to 1, with 1 representing lenses and 0 representing non-lenses. Initially, the CNN selects a total of 20 241 cutouts with a score greater than 0.9, but this number is subsequently reduced to 1522 cutouts after removing definite non-lenses for further visual inspection. We discover 43 grade A (definite) and 269 grade B (probable) strong lens candidates, of which 97 are completely new. In addition, we also discover 880 grade C (possible) lens candidates, 289 of which are known systems in the literature. We identify 143 candidates from the known systems of grade C that had higher confidence in previous searches. Our model can also recover 285 candidate galaxy-scale lenses from the Survey of Gravitationally lensed Objects in HSC Imaging (SuGOHI), where a single foreground galaxy acts as the deflector. Even though group-scale and cluster-scale lens systems are not included in the training, a sample of 32 SuGOHI-c (i.e. group/cluster-scale systems) lens candidates is retrieved. Our discoveries will be useful for ongoing and planned spectroscopic surveys, such as the Subaru Prime Focus Spectrograph project, to measure lens and source redshifts in order to enable detailed lens modelling.

Jaelani, Anton T. (ORCID:0000000162825778)↗

Origins of the Lunar and Planetary Laboratory, University of Arizona

The roots of the Lunar and Planetary Laboratory (LPL) extend deep into the rich fabric of G. P. Kuiper's view of the Earth as a planet and planetary systems as expected companions to most stars, as well as the post-war emergent technology of infrared detectors suitable for astronomy. These concepts and events began with Kuiper's theoretical work at Yerkes Observatory on the origin of the Solar System, his discovery of two planetary satellites and observational work with his near-infrared spectrometer on the then-new McDonald 82-inch telescope in the mid- to late-1940s. A grant for the production of a photographic atlas of the Moon in the mid-1950s enabled him to assemble the best existing images of the Moon and acquire new photographs. This brought E. A. Whitaker and D. W. G. Arthur to Yerkes. Others who joined in the lunar work were geologist Carl S. Huzzen and grad student E. P. Moore, as well as undergrad summer students A. B. Binder and D. P. Cruikshank (both in 1958). The Atlas was published in 1959, and work began on an orthographic lunar atlas. Kuiper's view of planetary science as an interdisciplinary enterprise encompassing astronomy, geology, and atmospheric physics inspired his vision of a research institution and an academic curriculum tuned to the combination of all the scientific disciplines embraced in a comprehensive study of the planets. Arrangements were made with the University of Arizona (UA) to establish LPL in affiliation with the widely recognized Inst. of Atmospheric Physics. Kuiper moved to the UA in late 1960, taking the lunar experts, graduate student T. C. Owen (planetary atmospheres), and associate B. M. Middlehurst along. G. van Biesbroeck also joined the migration to Tucson; Binder and Cruikshank followed along as new grad students. Astronomy grad student W. K. Hartmann came into the academic program at UA and the research group at LPL in 1961. Senior faculty affiliating with LPL in the earliest years were T. Gehrels, A. B. Meinel, H. L. Johnson, and F. J. Low, each with their own grad students and associates. Work began on IR spectroscopy and a rectified lunar atlas. Kuiper and Johnson started the search for future observatory sites in N. America and Hawaii.

Planets↗

6 um Pulsed OP-GaAs OPO Laser for Unambiguous Water Ice Detection on the Moon and Other Planetary Bodies

NASA demands a laser transmitter for planetary remote sensing to detect water-ice on the Moon and other planetary bodies. Based on the measurement of the Moon Mineralogy Mapper (M3) instrument, the discovery of water ice on the Moon was acclaimed, but the measurement is disputed because OH- and/or H2O-bearing materials share the absorption line around 3 μm wavelength. Lunar Flashlight, another mission project exploring the surface of Moon which will be launched later this year, enables to map the minerals on dark area of the Moon, but could not resolve the above-mentioned ambiguity. The absorption of 6.08 μm light is uniquely associated with the bending resonance of H2O since there is no comparable vibration in confounding OH-bearing materials. 6.08 μm laser between the atmospheric windows: middle-wave infrared (3-5 μm) and long-wave infrared (8-12 μm) has not been commercially available. Our approach is a Q-switched Ho:YLF laser pumped the orientation-pattern Gallium Arsenide optical parametric oscillator (OP-GaAs OPO) for generating high-energy laser pulses at the wavelength of 6.08 μm. In the current design, a 1.94 μm Tm:fiber is used as the pump source. In the compact design, a 1.94 μm laser diode will replace the Tm:fiber laser as the pump source. We will combine this proposed mid-infrared laser with the latest HgCdTe avalanche photodiode (APD) array to design a lidar for detecting water ice on the Moon and Mars from their respective orbits, enabling novel science and in-situ resource utilization. Our instrument is an enabling technology aboard the Artemis program and others.

mid-infrared laser↗

Oak Ridge National Laboratory Annual Sustainability Report 2023

ORNL, managed under contract by UT-Battelle LLC, is DOE’s largest science and energy laboratory and, as such, executes the widest range of mission capabilities. Diverse expertise spans a broad range of scientific and engineering disciplines, enabling research and science achievements to accelerate the delivery of solutions to the marketplace. ORNL supports DOE’s national missions of scientific discovery, clean energy, and security. To execute these activities, ORNL has grown significantly over 80 years of continuous operations, consisting of facilities with commissioning dates ranging from the 1940s to the present—an extraordinary set of distinctive scientific facilities and equipment. The complexities of such a variety of facilities require teamwork among divisions, a wide variety of conservation projects, and creative strategies to achieve the desired energy and water savings. Such a diverse and unique set of major facilities, totaling over 5.5 million square feet, with 6,000 employees, requires an innovative plan to accomplish advancements in operational efficiencies. ORNL is tasked with the management of an extraordinary set of distinctive scientific facilities and equipment for DOE. ORNL is mission-driven, and its mission has grown substantially over the decades. ORNL’s core research capabilities provide broad science and technology support for DOE in the areas of energy, environment, and national security. Currently, ORNL is a world leader in materials, neutron, and nuclear science and engineering, and in high-performance computing and data analytics. ORNL’s vast portfolio of research facilities must be maintained and carefully upgraded to protect the nation’s investment in scientific analysis. The goal of sustainable and resilient operations is to enable more effective execution of ORNL’s science and technology mission. Sustainable operational practices and enhanced resilience strive for excellent results while remaining diligent in energy conservation, environmental stewardship, asset management, and community engagement. The Sustainable ORNL Program (Sustainable ORNL) Continuous improvements in operational and business processes must be integrated into the fabric of the ORNL culture to maximize the return from the investment made in modernizing facilities and equipment. The Sustainable ORNL program promotes the legacy of system-wide best practices, management commitment, and employee engagement that will lead ORNL into a future of efficient, resilient, and sustainable operations. ORNL leadership and Sustainable ORNL champions receive regular status reports on the progress of each project and focus area (i.e., roadmap) and periodic summary reports. More information can be found at the program’s website. The Sustainable ORNL roadmap structure endorses 15 vital roadmaps. The figure below summarizes the current project assignments and demonstrates that each project contributes to the wellbeing of the whole. Continuous employee engagement and regular status reports confirm the ideals of the program. The roadmap structure is not static; as the science mission advances and the needs of the organization evolve, the Sustainable ORNL roadmap structure elements are modified to align with developing priorities. In 2022, Sustainable ORNL made roadmap changes to better align ORNL to support new federal requirements that have been issued.

54 ENVIRONMENTAL SCIENCES↗

DOE Repository Metadata Profile (DRMP): A Metadata Framework for Advancing Interoperability and AI Readiness Across Scientific Repositories

The Department of Energy (DOE) funds a diverse and distributed ecosystem of repositories that steward scientific data, publications, and software across its research programs, user facilities, and national laboratories. While significant progress has been made in standardizing dataset-level metadata, the metadata describing repositories themselves (their identity, governance, access interfaces, policies, and technical capabilities) remains inconsistent and fragmented across DOE-funded systems. This variability limits discoverability, interoperability, automated validation, and AI-driven analysis, all of which are increasingly essential for modern scientific workflows. To address this gap, the DOE Data Curation Working Group (DCWG) developed the DOE Repository Metadata Profile (DRMP). The DRMP is a practical, community-driven framework that defines how repositories can describe themselves in a consistent, machine-actionable, and scalable manner. The DRMP is not a new metadata schema. Instead, it is a mapping profile and structured element set capturing the essential characteristics of DOE repositories. It harmonizes repository-level metadata across six widely adopted community schemas: RE3Data; DCAT-US v3; Schema.org; Dublin Core; DataCite 4.6; and PREMIS 3.0. This harmonization eliminates reinvention and enables interoperability within DOE and across the broader scientific ecosystem. A core objective of the DRMP is to reduce burden on repositories by allowing them to reuse their existing metadata through a Rosetta-style crosswalk rather than redesigning local implementations. The profile introduces a three-level conformance model that supports incremental adoption: • Level 1 – Minimum Viable Record (MVR): foundational identification elements required for workflows, project registration, and basic repository presence. • Level 2 – Interoperable: structured metadata enabling alignment with national and international discovery systems. • Level 3 – AI-Ready: enhanced provenance, policy transparency, fixity, semantic context, and capabilities that support automated reasoning, model training governance, and machine-assisted curation. To support implementation, the DRMP includes JSON Schema definitions, OpenAPI patterns, and MCP templates that allow repositories to publish machine-readable metadata directly within existing platforms. These resources are modular and lightweight, enabling adoption without major architectural change. Adopting the DRMP enables repositories to: • Enhance discoverability and interoperability by aligning identifiers, classifications, and descriptive elements across widely used schema standards. • Support federated discovery and cross-registration across DOE systems, Data.gov, and international catalogs. • Enable AI agents and workflow orchestration systems to interpret repository-level metadata within the American Science Cloud (AmSC) through Model Context Protocol (MCP)-based context publication. • Demonstrate alignment with DOE’s open science, stewardship, and FAIR data priorities. This guidance represents a community-driven step forward. Through voluntary adoption and continued feedback, the DRMP advances a cohesive, machine-actionable description of DOE repositories that supports FAIR data practices, preparing the infrastructure for AI-enabled research, and strengthening the discoverability and reuse of DOE’s scientific outputs.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

FINESSE: Field Investigations to Enable Solar System Science and Exploration

The FINESSE (Field Investigations to Enable Solar System Science and Exploration) team is focused on a science and exploration field-based research program aimed at generating strategic knowledge in preparation for the human and robotic exploration of the Moon, near-Earth asteroids (NEAs) and Phobos and Deimos. We follow the philosophy that "science enables exploration and exploration enables science." 1) FINESSE Science: Understand the effects of volcanism and impacts as dominant planetary processes on the Moon, NEAs, and Phobos & Deimos. 2) FINESSE Exploration: Understand which exploration concepts of operations (ConOps) and capabilities enable and enhance scientific return. To accomplish these objectives, we are conducting an integrated research program focused on scientifically-driven field exploration at Craters of the Moon National Monument and Preserve in Idaho and at the West Clearwater Lake Impact Structure in northern Canada. Field deployments aimed at reconnaissance geology and data acquisition were conducted in 2014 at Craters of the Moon National Monument and Preserve. Targets for data acquisition included selected sites at Kings Bowl eruptive fissure, lava field and blowout crater, Inferno Chasm vent and outflow channel, North Crater lava flow and Highway lava flow. Field investigation included (1) differential GPS (dGPS) measurements of lava flows, channels (and ejecta block at Kings Bowl); (2) LiDAR imaging of lava flow margins, surfaces and other selected features; (3) digital photographic documentation; (4) sampling for geochemical and petrographic analysis; (5) UAV aerial imagery of Kings Bowl and Inferno Chasm features; and (6) geologic assessment of targets and potential new targets. Over the course of the 5-week field FINESSE campaign to the West Clearwater Impact Structure (WCIS) in 2014, the team focused on several WCIS research topics, including impactites, central uplift formation, the impact-generated hydrothermal system, multichronometer dating of impact products, and using WCIS as an analog test site for crew studies of sampling protocols. The FINESSE team visited and mapped all of the major islands within West Clearwater Lake. Excellent cliff exposures around the coasts of many of the islands allowed a general stratigraphy of impactites to be defined. Notable differences to previous work includes the discovery of a monomict lithic breccia and a medium to coarse grained impact melt rock. In addition, ample rock samples were returned from West Clearwater for geochronology study. Geochronology work centers around laboratory analyses of these samples (and samples collected in the future or obtained from archives housed at the Canadian Geological Survey). Samples returned from the FINESSE field season have been evaluated for suitability for geochronologic analysis, and selected samples have been crushed for mineral separation and/or sawed for the preparation of polished petrologic thin sections. Heavy minerals (e.g., zircon, titanite, and apatite) will be separated from the crushed material for (U-Th)/He geochronology. The sections will be used for laser ablation 40Ar/39Ar research after neutron irradiation. This presentation will highlight the exciting science and exploration work conducted by FINESSE, as well as future plans for continued research.

Phobos & Deimos↗

NASA Life Sciences Data Repositories: Tools for Retrospective Analysis and Future Planning

As NASA transitions from the Space Shuttle era into the next phase of space exploration, the need to ensure the capture, analysis, and application of its research and medical data is of greater urgency than at any other previous time. In this era of limited resources and challenging schedules, the Human Research Program (HRP) based at NASA s Johnson Space Center (JSC) recognizes the need to extract the greatest possible amount of information from the data already captured, as well as focus current and future research funding on addressing the HRP goal to provide human health and performance countermeasures, knowledge, technologies, and tools to enable safe, reliable, and productive human space exploration. To this end, the Science Management Office and the Medical Informatics and Health Care Systems Branch within the HRP and the Space Medicine Division have been working to make both research data and clinical data more accessible to the user community. The Life Sciences Data Archive (LSDA), the research repository housing data and information regarding the physiologic effects of microgravity, and the Lifetime Surveillance of Astronaut Health (LSAH-R), the clinical repository housing astronaut data, have joined forces to achieve this goal. The task of both repositories is to acquire, preserve, and distribute data and information both within the NASA community and to the science community at large. This is accomplished via the LSDA s public website (http://lsda.jsc.nasa.gov), which allows access to experiment descriptions including hardware, datasets, key personnel, mission descriptions and a mechanism for researchers to request additional data, research and clinical, that is not accessible from the public website. This will result in making the work of NASA and its partners available to the wider sciences community, both domestic and international. The desired outcome is the use of these data for knowledge discovery, retrospective analysis, and planning of future research studies.

Thomas, D.↗

Integration and Cooperation in the Next Golden Age of Human Space Flight Data Repositories: Tools for Retrospective Analysis and Future Planning

As NASA transitions from the Space Shuttle era into the next phase of space exploration, the need to ensure the capture, analysis, and application of its research and medical data is of greater urgency than at any other previous time. In this era of limited resources and challenging schedules, the Human Research Program (HRP) based at NASA s Johnson Space Center (JSC) recognizes the need to extract the greatest possible amount of information from the data already captured, as well as focus current and future research funding on addressing the HRP goal to provide human health and performance countermeasures, knowledge, technologies, and tools to enable safe, reliable, and productive human space exploration. To this end, the Science Management Office and the Medical Informatics and Health Care Systems Branch within the HRP and the Space Medicine Division have been working to make both research data and clinical data more accessible to the user community. The Life Sciences Data Archive (LSDA), the research repository housing data and information regarding the physiologic effects of microgravity, and the Lifetime Surveillance of Astronaut Health Repository (LSAH-R), the clinical repository housing astronaut data, have joined forces to achieve this goal. The task of both repositories is to acquire, preserve, and distribute data and information both within the NASA community and to the science community at large. This is accomplished via the LSDA s public website (http://lsda.jsc.nasa.gov), which allows access to experiment descriptions including hardware, datasets, key personnel, mission descriptions and a mechanism for researchers to request additional data, research and clinical, that is not accessible from the public website. This will result in making the work of NASA and its partners available to the wider sciences community, both domestic and international. The desired outcome is the use of these data for knowledge discovery, retrospective analysis, and planning of future research studies.

Thomas, D.↗

International Space Station Accomplishments Update: Scientific Discovery, Advancing Future Exploration, and Benefits Brought Home to Earth

Throughout the history of the International Space Station (ISS), crews on board have conducted a variety of scientific research and educational activities. Well into the second year of full utilization of the ISS laboratory, the trend of scientific accomplishments and educational opportunities continues to grow. More than 1500 investigations have been conducted on the ISS since the first module launched in 1998, with over 700 scientific publications. The ISS provides a unique environment for research, international collaboration and educational activities that benefit humankind. This paper will provide an up to date summary of key investigations, facilities, publications, and benefits from ISS research that have developed over the past year. Discoveries in human physiology and nutrition have enabled astronauts to return from ISS with little bone loss, even as scientists seek to better understand the new puzzle of "ocular syndrome" affecting the vision of up to half of astronauts. The geneLAB campaign will unify life sciences investigations to seek genomic, proteomic, and metabolomics of the effect of microgravity on life as a whole. Combustion scientists identified a new "cold flame" phenomenon that has the potential to improve models of efficient combustion back on Earth. A significant number of instruments in Earth remote sensing and astrophysics are providing new access to data or nearing completion for launch, making ISS a significant platform for understanding of the Earth system and the universe. In addition to multidisciplinary research, the ISS partnership conducts a myriad of student led research investigations and educational activities aimed at increasing student interest in science, technology, engineering and mathematics (STEM). Over the past year, the ISS partnership compiled new statistics of the educational impact of the ISS on students around the world. More than 43 million students, from kindergarten to graduate school, with more than 28 million teachers located in 49 countries have participated in some aspect of ISS educational activities. These activities include student-developed investigations, education competitions, and classroom versions of ISS investigations, participating in ISS investigator experiments, ISS hardware development, educational demonstrations, and cultural activities. Through the many inquiry-based educational activities, students and teachers are encouraged to participate in the ISS program thus motivating the next generation of students to pursue careers in STEM.

Thumm, Tracy↗

LDRD FY25 Program Overview

As Lawrence Livermore National Laboratory’s (LLNL’s) Laboratory Directed Research and Development (LDRD) program enters its fifth decade of leading-edge research and development, its impact and importance have never been stronger. The program continues to advance strategic investments in pioneering science, technology, and engineering, ensuring LLNL will be ready to deliver on our mission as it evolves over the coming decades. Investing in LDRD research, and the people who perform this critical work, gives LLNL the ability to sustain our role as a leader in the Department of Energy and National Nuclear Security Administration enterprise. The LDRD program enables high-risk, high-payoff research that anticipates emerging threats and future mission needs. By nurturing the ingenuity of the Lab’s greatest asset, its people, LDRD funding advances not only our research but also grows and nurtures our workforce: engaging future innovators with student mentoring, challenging postdoctoral researchers to apply their skills to support national security, and strengthening the leadership skills of early career staff. This annual report documents how LDRD investments advance LLNL’s science, technology, and engineering across our mission space. To assess LDRD’s impact we track both short and long-term metrics such as peer-reviewed publications, number of students, or professional fellows. In addition to reviewing these metrics, I encourage you to delve deeper into the breadth of science and technology that illustrate the strategic value of this research portfolio. For instance, a recent exploratory research project used advanced manufacturing to construct miniaturized three-dimensional ion traps for a quantum computer with reduced quantum error rates to enable applications that address national security missions and support basic science. Another project has delved into studying detonation by examining deflagration to enhance the safety and security of the nuclear weapons stockpile. LDRD researchers are also deploying AI agents on two of the world’s most powerful supercomputers to automate and accelerate inertial confinement fusion experiments. Other teams are delivering more accurate optical constants to enable improved validation for aluminum to advance atomic and molecular physics models. LDRD-driven discoveries of how metals deform under extreme conditions strengthen our ability to model and design materials for demanding national security environments. National security challenges are increasingly complex and continuously evolving. LDRD focuses our most innovative science and technology on these challenges, ensuring the Laboratory is developing creative, forward-leaning solutions for our nation and the world. The following pages feature highlights of published scientific advances, patents, and honors that stem from LDRD investments. As you read this report, I hope you will understand how these investments position the Laboratory, and our partners, to meet the demands of the decades ahead.

36 MATERIALS SCIENCE↗

In vitro chick pre-cardiac explant tissue differentiation during spaceflight on SpaceHab-02

Chick precardiac tissue explants were cultured on the 8-day mission of STS-60, space shuttle Discovery. Development of in vitro cultures of precardiac chick tissue from embryo stages 5 though 8 (H-H) were initiated during orbit and were terminated after approximately fifteen hours of 37 degree C culture. Transmission electron microscopy and tritiated thymidine studies were performed postflight. No significant differences in cell proliferation were observed between flight and ground controls. Electron-microscopic studies revealed stage 8 explants were capable of differentiation during flight in a pattern which matched ground control tissues. As anticipated, stage 7 explant tissues had differentiated to a lesser extent compared to stage 8 tissues. Interestingly, stage 7 precardiac explant flight tissue differentiation was less than ground control tissue. This difference in differentiation between flight and ground cultures was enhanced in stage 6 tissues, as high levels of myofibril organization were only seen in ground controls. Other cellular components such as Golgi apparatus, junctional complexes, and mitochondria were present and appeared normal and healthy.

NASA Program NSCORT↗

Accelerated Testing of Selected Filler Compositions

The fillers R&D program, mostly experimental, is part of a broader R&D program that includes new process modeling and performance assessment of criticality effects and the overall importance of criticality to repository performance (consequence screening). A literature research and consultation effort with experts by Hardin and Brady (2018) identified several potentially effective and workable filler materials including cements (primarily phosphate based), molten-metal alloys, and low-temperature glasses. Filler attributes were defined and the preliminary lists were compared qualitatively. Further comparative analysis will be done (e.g., cost estimates) after experimental screening has narrowed the list of alternatives. The following cement filler compositions were selected for experimental development work and accelerated testing in FY19: Aluminum phosphate cements (APCs); more specifically aluminum oxide / aluminum phosphate (Al 2 O 3 / AlPO 4 ) cements in which Al 2 O 3 serves as the filler material bound by an AlPO 4 binder formed by the reaction of Al 2 O 3 with H 3 PO 4 ; Calcium phosphate cements (CPCs); more specifically composed of pure or nearly pure hydroxyapatite (Ca 5 (PO 4 ) 3 (OH)); Magnesium potassium phosphate cements (MKPs) composed of magnesium oxide / magnesium potassium phosphate (MgO / MgKPO 4 ) cements in which MgO serves as the filler and MgKPO 4 serves as the binder formed by the reaction of MgO with monopotassium phosphate (KH 2 PO 4 ) and tricalcium phosphate ((Ca 3 (PO 4 ) 2 ); Two additional potential cement materials were explored preliminarily as the result of: (1) continued literature investigations into other filler candidates (wollastonite-based phosphate ceramic) and (2) the experimental discovery of a well-consolidated fly ash phosphate cement during the evaluation of fly ash as a potential filler material with Al 2 O 3 in APCs. Fly ash phosphate cements, more specifically in which a fly ash material composed primarily of mullite and quartz serves as the filler and is reacted with H 3 PO 4 to form amorphous phosphate phase(s) as the binder; Wollastonite aluminum phosphate cements (WAPC), specifically wollastonite / aluminum phosphate (CaSiO 3 / AlPO 4 ) in which CaSiO 3 serves as the filler material and AlPO 4 serves as the binder formed by Al(OH) 3 or metakaolin as Al sources and H 3 PO 4 or ammonium dihydrogen phosphate (ADP) (NH 4 H 2 PO 4 ) as phosphate sources. The FY19 effort focused on the optimization of compositions and subsequent processing of these five materials to achieve dense and well-consolidated monolithic samples with relatively low porosity. Once these goals were met basic material properties screening evaluations were performed including an assessment of dissolution resistance in water at elevated temperature (200 °C) and mechanical testing including unconfined compressive strength (UCS) testing. To date, the aluminum phosphate cements (APCs) appear to show the most promise for continued development. They are easily prepared and form smooth pourable slurries that remain stable for days with relatively low viscosities of several thousand centipoise (cP). They are then set at elevated temperatures (e.g., 170 °C) under ambient (0.1 MPa) or elevated pressure (~1MPa). Overall, they demonstrate the best dissolution resistance in water at elevated temperature (200 °C) and good compressive strengths. However, additional effort is required to optimize the APC slurry formulations and the process used for thermal curing these materials. The calcium phosphate cements (CPCs) can be formed at room temperature to produce a well-consolidated body. However, their slurry viscosities are very high (and difficult to measure) and they exhibit relatively short cure times of 2 to 3 hours. Also, dissolution resistance is very poor, the poorest of all the cements examined The same is the case for the small number of MKP cements fabricated; they cure very quickly (10 minutes or less) and disintegrate within a few hours upon immersion in distilled water. Surprisingly, fly ash reacts with phosphoric acid to form dense and well-consolidated cements but the mixture rapidly sets at room temperature (less than 30 minutes) and the subsequent conversion of the binder to an amorphous phosphate phase(s) as a function of temperature is complicated. Finally, the wollastonite aluminum phosphate cements (WAPC) are easily prepared and form smooth pourable slurries that remain stable for several hours. They are then set at 130 °C. A WAPC sample exhibited the highest compressive strengths of all the materials we evaluated but in general their dissolution resistance to water is poor.

36 MATERIALS SCIENCE↗

US Department of Energy, Office of Science, High-Performance Computing Facility: 2023 Operational Assessment Oak Ridge Leadership Computing Facility

The Oak Ridge Leadership Computing Facility (OLCF) was established to accelerate scientific discovery by providing world-leading computational performance and advanced data infrastructure. As a US Department of Energy (DOE) Office of Science user facility, the OLCF has managed the successful deployment and operation of a succession of leadership-class resources dedicated to open science. In addition to these resources, the OLCF staff continually strive to develop innovative processes and technologies, improve security, and empower users through effective allocation management and comprehensive user support and training. These efforts support the advancement of science by the OLCF users and benefit high-performance computing (HPC) facilities around the world. In calendar year (CY) 2023, the OLCF supported 1,676 users and 598 projects and exceeded all targets for user satisfaction. The facility received an average satisfaction score of 4.52 out of 5 on the annual user survey, and 94% of respondents reported a high satisfaction rate with the OLCF overall. Of the 3,619 user tickets submitted in CY 2023, OLCF staff resolved 97% within 3 business days. The facility opened Frontier to full scientific operations this year. Two projects conducted on Frontier received the Association for Computing Machinery (ACM) Gordon Bell Prize and the Gordon Bell Special Prize for Climate Modeling, and a third earned a nomination as a Gordon Bell Prize finalist. The facility’s previous flagship machine, Summit, gained new life and was extended through 2024 in part to help provide resources to the Integrated Research Infrastructure (IRI) projects and the National Artificial Intelligence Research Resource (NAIRR) pilot program. The facility instantiated an Advanced Computing Ecosystem testbed in part to support IRI workflows. OLCF made interactivity easier and more accessible to users than ever through tools like Jupyter notebooks and workflows.

97 MATHEMATICS AND COMPUTING↗

Human Space Exploration: The Moon, Mars, and Beyond

America is returning to the Moon in preparation for the first human footprint on Mars, guided by the U.S. Vision for Space Exploration. This presentation will discuss NASA's mission, the reasons for returning to the Moon and going to Mars, and how NASA will accomplish that mission in ways that promote leadership in space and economic expansion on the new frontier. The primary goals of the Vision for Space Exploration are to finish the International Space Station, retire the Space Shuttle, and build the new spacecraft needed, to return people to the Moon and go to Mars. The Vision commits NASA and the nation to an agenda of exploration that also includes robotic exploration and technology development, while building on lessons learned over 50 years of hard-won experience. Why the Moon? Many questions about the Moon's potential resources and how its history is linked to that of Earth were spurred by the brief Apollo explorations of the 1960s and 1970s. This new venture will carry more explorers to more diverse landing sites with more capable tools and equipment for extended expeditions. The Moon also will serve as a training ground before embarking on the longer, more difficult trip to Mars. NASA plans to build a lunar outpost at one of the lunar poles, learn to live off the land, and reduce dePendence on Earth for longer missions. America needs to extend its ability to survive in hostile environments close to our home planet before astronauts will reach Mars, a planet very much like Earth. NASA has worked with scientists to define lunar exploration goals and is addressing the opportunities for a range of scientific study on Mars. In order to reach the Moon and Mars within a lifetime and within budget, NASA is building on common hardware, shared knowledge, and unique experience derived from the Apollo Saturn, Space Shuttle and contemporary commercial launch vehicle programs. The journeys to the Moon and Mars will require a variety of vehicles, including the Ares I Crew Launch Vehicle, which transports the Orion Crew Exploration Vehicle, and the Ares V Cargo Launch Vehicle, which transports the Lunar Surface Access Module. The architecture for the lunar missions will use one launch to ferry the crew into orbit, where it will rendezvous with the Lunar Module in the Earth Departure Stage, which will then propel the combination into lunar orbit. The imperative to explore space with the combination of astronauts and robots will be the impetus for inventions such as solar power and water and waste recycling. This next chapter in NASA's history promises to write the next chapter in American history, as well. It will require this nation to provide the talent to develop tools, machines, materials, processes, technologies, and capabilities that can benefit nearly all aspects of life on Earth. Roles and responsibilities are shared between a nationwide Government and industry team. The Exploration Launch Projects Office at the Marshall Space Flight Center manages the design, development, testing, and evaluation of both vehicles and serves as lead systems integrator. A little over a year after it was chartered, the Exploration Launch Projects team is testing engine components, refining vehicle designs, performing wind tunnel tests, and building hardware for the first flight test of Ares I-l, scheduled for spring 2009. The U.S. Vision for Space Exploration lays out a roadmap for a long-term venture of discovery. This endeavor will inspire and attract the best and brightest students to power this nation successfully to the Moon, Mars, and beyond. If one equates the value proposition for space with simple dollars and cents, the potential of the new space economy is tremendous, from orbital space delivery services for the International Space Station to mining and solar energy collection on the Moon and asteroids. The Vision for Space Exploration is fundamentally about bringing the resources of the solar system within the economic sphere of humaind. Given the immense size of our solar system, the amount of available material and energy within it present an enormous economic opportunity.

Sexton, Jeffrey D.↗

Kepler Planet Detection Mission: Introduction and First Results

The Kepler Mission is designed to determine the frequency of Earth-size and rocky planets in and near the habitable zone (HZ) of solar-like stars. The HZ is defined to be the region of space where a rocky planet could maintain liquid water on its surface. Kepler is the 10th competitively-selected Discovery Mission and was launched on March 6, 2009. Since completing its commissioning, Kepler has observed over 156,000 stars simultaneously and near continuously to search for planets that periodically pass in front of their host star (transit). The photometric precision is approximately 23 ppm for 50% of the 12th magnitude dwarf stars for an integration period of 6.5 hours. During the first 3 months of operation the photometer detected transit-like signatures from more than 200 stars. Careful examination shows that many of these events are false-positives such as small stars orbiting large stars or blends of target stars with eclipsing binary stars. Ground-based follow-up observations confirm the discovery of five new exoplanets with sizes between 0.37 andl.6 Jupiter radii (R(sub J)) and orbital periods ranging from 3.2 to 4.9 days. Ground-based observations with the Keck 1, Hobby-Ebberly, Hale, WIYN, MMT, Tillinghast, Shane, and Nordic Optical Telescopes are used to vet the planetary candidates and measure the masses of the putative planets. Observations of occultations and phase variations of hot, short-period planets such as HT-P-7b provide a probe of atmospheric properties. Asteroseismic analysis already shows the presence of p-mode oscillations in several stars. Such observations will be used to measure the mean stellar density and infer the stellar size and age. For stars too dim to permit asteroseismology, observations of the centroid motion of target stars will be used to measure the parallax and be combined with photometric measurements to estimate stellar sizes. Four open clusters are being observed to determine stellar rotation rates as a function of age and spectral type. Many different types of stellar variability are observed with unprecedented precision and over a wide range of time scales. Solar-like photometric variability of thousands of field stars is being studied to determine how photometric variability and the stellar rotation rates change with stellar age and metallicity. A wide variety of other astrophysical phenomena have also been observed. The data are being analyzed at the Ames Research Center and archived at the MAST at STScI. The Kepler Mission also supports a vigorous Guest Observer Program.

Borucki, William↗

Using Social Media and Mobile Devices to Discover and Share Disaster Data Products Derived From Satellites

Data products derived from Earth observing satellites are difficult to find and share without specialized software and often times a highly paid and specialized staff. For our research effort, we endeavored to prototype a distributed architecture that depends on a standardized communication protocol and applications program interface (API) that makes it easy for anyone to discover and access disaster related data. Providers can easily supply the public with their disaster related products by building an adapter for our API. Users can use the API to browse and find products that relate to the disaster at hand, without a centralized catalogue, for example floods, and then are able to share that data via social media. Furthermore, a longerterm goal for this architecture is to enable other users who see the shared disaster product to be able to generate the same product for other areas of interest via simple point and click actions on the API on their mobile device. Furthermore, the user will be able to edit the data with on the ground local observations and return the updated information to the original repository of this information if configured for this function. This architecture leverages SensorWeb functionality [1] presented at previous IGARSS conferences. The architecture is divided into two pieces, the frontend, which is the GeoSocial API, and the backend, which is a standardized disaster node that knows how to talk to other disaster nodes, and also can communicate with the GeoSocial API. The GeoSocial API, along with the disaster node basic functionality enables crowdsourcing and thus can leverage insitu observations by people external to a group to perform tasks such as improving water reference maps, which are maps of existing water before floods. This can lower the cost of generating precision water maps. Keywords-Data Discovery, Disaster Decision Support, Disaster Management, Interoperability, CEOS WGISS Disaster Architecture