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NASA NTRS2008

Engineering America's Future in Space: Systems Engineering Innovations for Sustainable Exploration

The National Aeronautics and Space Administration (NASA) delivers space transportation solutions for America's complex missions, ranging from scientific payloads that expand knowledge, such as the Hubble Space Telescope, to astronauts and lunar rovers destined for voyages to the Moon. Currently, the venerable Space Shuttle, which has been in service since 1981, provides U.S. capability for both crew and cargo to low-Earth orbit to construct the International Space Station, before the Shuttle is retired in 2010, as outlined in the 2006 NASA Strategic Plan. I In the next decade, NASA will replace this system with a duo of launch vehicles: the Ares I Crew Launch Vehicle/Orion Crew Exploration Vehicle and the Ares V Cargo Launch Vehicle/Altair Lunar Lander. The goals for this new system include increased safety and reliability, coupled with lower operations costs that promote sustainable space exploration over a multi-decade schedule. This paper will provide details of the in-house systems engineering and vehicle integration work now being performed for the Ares I and planned for the Ares V. It will give an overview of the Ares I system-level test activities, such as the ground vibration testing that will be conducted in the Marshall Center's Dynamic Test Stand to verify the integrated vehicle stack's structural integrity against predictions made by modern modeling and simulation analysis. It also will give information about the work in progress for the Ares I-X developmental test flight planned in 2009 to provide key data before the Ares I Critical Design Review. Activities such as these will help prove and refine mission concepts of operation, while supporting the spectrum of design and development tasks being performed by Marshall's Engineering Directorate, ranging from launch vehicles and lunar rovers to scientific spacecraft and associated experiments. Ultimately, the work performed will lead to the fielding of a robust space transportation solution that will carry international explorers and essential payloads for sustainable scientific discovery beyond planet Earth.

Dumbacher, Daniel L.↗
NASA NTRS2008

Engineering America's Current and Future Space Transportation Systems: 50 Years of Systems Engineering Innovation for Sustainable Exploration

Over the past 50 years, the National Aeronautics and Space Administration (NASA) has delivered space transportation solutions for America's complex missions, ranging from scientific payloads that expand knowledge, such as the Hubble Space Telescope, to astronauts and lunar rovers destined for voyages to the Moon. Currently, the venerable Space Shuttle, which has been in service since 1981, provides the United States' (U.S.) capability for both crew and heavy cargo to low-Earth orbit to' construct the International Space Station, before the Shuttle is retired in 2010. In the next decade, NASA will replace this system with a duo of launch vehicles: the Ares I Crew Launch Vehicle and the Ares V Cargo Launch Vehicle (Figure 1). The goals for this new system include increased safety and reliability coupled with lower operations costs that promote sustainable space exploration for decades to come. The Ares I will loft the Orion Crew Exploration Vehicle, while the heavy-lift Ares V will carry the Altair Lunar Lander and the equipment and supplies needed to construct a lunar outpost for a new generation of human and robotic space pioneers. This paper will provide details of the in-house systems engineering and vehicle integration work now being performed for the Ares I and planned for the Ares V. It will give an overview of the Ares I system-level test activities, such as the ground vibration testing that will be conducted in the Marshall Center's Dynamic Test Stand to verify the integrated vehicle stack's structural integrity and to validate computer modeling and simulation (Figure 2), as well as the main propulsion test article analysis to be conducted in the Static Test Stand. These activities also will help prove and refine mission concepts of operation, while supporting the spectrum of design and development work being performed by Marshall's Engineering Directorate, ranging from launch vehicles and lunar rovers to scientific spacecraft and associated experiments. Ultimately, fielding a robust space transportation solution that will carry international explorers and essential payloads will pave the way for a new century of scientific discovery beyond planet Earth.

Dmbacher, Daniel L.↗
NASA NTRS2015

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 NTRS2008

Building on 50 Years of Systems Engineering Experience for a New Era of Space Exploration

Over the past 50 years, the National Aeronautics and Space Administration (NASA) has delivered space transportation solutions for America's complex missions, ranging from scientific payloads that expand knowledge, such as the Hubble Space Telescope, to astronauts and lunar rovers destined for voyages to the Moon. Currently, the venerable Space Shuttle, which has been in service since 1981, provides the United States (US) capability for both crew and heavy cargo to low-Earth orbit to construct the International Space Station, before the Shuttle is retired in 2010. In the next decade, NASA will replace this system with a duo of launch vehicles: the Ares I crew launch vehicle and the Ares V cargo launch vehicle. The goals for this new system include increased safety and reliability coupled with lower operations costs that promote sustainable space exploration for decades to come. The Ares I will loft the Orion crew exploration vehicle, while the heavy-lift Ares V will carry the Altair lunar lander, as well as the equipment and supplies needed to construct a lunar outpost for a new generation of human and robotic space pioneers. NASA's Marshall Space Flight Center manages the Shuttle's propulsion elements and is managing the design and development of the Ares rockets, along with a host of other engineering assignments in the field of scientific space exploration. Specifically, the Marshall Center's Engineering Directorate houses the skilled workforce and unique facilities needed to build capable systems upon the foundation laid by the Mercury, Gemini, Apollo, and Shuttle programs. This paper will provide details of the in-house systems engineering and vehicle integration work now being performed for the Ares I and planned for the Ares V. It will give an overview of the Ares I system-level testing activities, such as the ground vibration testing that will be conducted in the Marshall Center's Dynamic Test Stand to verify the integrated vehicle stack's structural integrity and to validate computer modeling and simulation, as well as the main propulsion test article analysis to be conducted in the Static Test Stand. Ultimately, fielding a robust space transportation solution that will carry international explorers and essential payloads will pave the way for a new era of scientific discovery now dawning beyond planet Earth.

Dumbacher, Daniel L.↗
NASA NTRS2009

Protocol for Communication Networking for Formation Flying

An application-layer protocol and a network architecture have been proposed for data communications among multiple autonomous spacecraft that are required to fly in a precise formation in order to perform scientific observations. The protocol could also be applied to other autonomous vehicles operating in formation, including robotic aircraft, robotic land vehicles, and robotic underwater vehicles. A group of spacecraft or other vehicles to which the protocol applies could be characterized as a precision-formation- flying (PFF) network, and each vehicle could be characterized as a node in the PFF network. In order to support precise formation flying, it would be necessary to establish a corresponding communication network, through which the vehicles could exchange position and orientation data and formation-control commands. The communication network must enable communication during early phases of a mission, when little positional knowledge is available. Particularly during early mission phases, the distances among vehicles may be so large that communication could be achieved only by relaying across multiple links. The large distances and need for omnidirectional coverage would limit communication links to operation at low bandwidth during these mission phases. Once the vehicles were in formation and distances were shorter, the communication network would be required to provide high-bandwidth, low-jitter service to support tight formation-control loops. The proposed protocol and architecture, intended to satisfy the aforementioned and other requirements, are based on a standard layered-reference-model concept. The proposed application protocol would be used in conjunction with conventional network, data-link, and physical-layer protocols. The proposed protocol includes the ubiquitous Institute of Electrical and Electronics Engineers (IEEE) 802.11 medium access control (MAC) protocol to be used in the datalink layer. In addition to its widespread and proven use in diverse local-area networks, this protocol offers both (1) a random- access mode needed for the early PFF deployment phase and (2) a time-bounded-services mode needed during PFF-maintenance operations. Switching between these two modes could be controlled by upper-layer entities using standard link-management mechanisms. Because the early deployment phase of a PFF mission can be expected to involve multihop relaying to achieve network connectivity (see figure), the proposed protocol includes the open shortest path first (OSPF) network protocol that is commonly used in the Internet. Each spacecraft in a PFF network would be in one of seven distinct states as the mission evolved from initial deployment, through coarse formation, and into precise formation. Reconfiguration of the formation to perform different scientific observations would also cause state changes among the network nodes. The application protocol provides for recognition and tracking of the seven states for each node and for protocol changes under specified conditions to adapt the network and satisfy communication requirements associated with the current PFF mission phase. Except during early deployment, when peer-to-peer random access discovery methods would be used, the application protocol provides for operation in a centralized manner.

Jennings, Esther↗
NASA NTRS2010

Life Sciences Data Archives (LSDA) in the Post-Shuttle Era

Now, more than ever before, NASA is realizing the value and importance of their intellectual assets. Principles of knowledge management-the systematic use and reuse of information, experience, and expertise to achieve a specific goal-are being applied throughout the agency. LSDA is also applying these solutions, which rely on a combination of content and collaboration technologies, to enable research teams to create, capture, share, and harness knowledge to do the things they do well, even better. In the early days of spaceflight, space life sciences data were collected and stored in numerous databases, formats, media-types and geographical locations. These data were largely unknown/unavailable to the research community. The Biomedical Informatics and Health Care Systems Branch of the Space Life Sciences Directorate at JSC and the Data Archive Project at ARC, with funding from the Human Research Program through the Exploration Medical Capability Element, are fulfilling these requirements through the systematic population of the Life Sciences Data Archive. This project constitutes a formal system for the acquisition, archival and distribution of data for HRP-related experiments and investigations. The general goal of the archive is to acquire, preserve, and distribute these data and be responsive to inquiries for the science communities. Information about experiments and data, as well as non-attributable human data and data from other species' are available on our public Web site http://lsda.jsc.nasa.gov. The Web site also includes a repository for biospecimens, and a utilization process. NASA has undertaken an initiative to develop a Shuttle Data Archive repository. The Shuttle program is nearing its end in 2010 and it is critical that the medical and research data related to the Shuttle program be captured, retained, and usable for research, lessons learned, and future mission planning. Communities of practice are groups of people who share a concern or a passion for something they do, and learn how to do it better as they interact regularly. LSDA works with the HRP community of practice to ensure that we are preserving the relevant research and data they need in the LSDA repository. An evidence-based approach to risk management is required in space life sciences. Evidence changes over time. LSDA has a pilot project with Collexis, a new type of Web-based search engine. Collexis differentiates itself from full-text search engines by making use of thesauri for information retrieval. The high-quality search is based on semantics that have been defined in a life sciences ontology. Additionally, Collexis' matching technology is unique, allowing discovery of partially matching dicuments. Users do not have to construct a complicated (Boolean) search query, but can simply enter a free text search without the risk of getting "no results". Collexis may address these issues by virtue of its retrieval and discovery capabilities across multiple repositories.

Fitts, Mary A.↗
NASA NTRSDate not supplied

Applicability of Micro X-Ray Fluorescence Spectroscopy to Astromaterials Curation and Research

Introduction: The Astromaterials Acquisition and Curation Office at NASA’s Johnson Space Center (JSC) curates NASA’s astromaterial sample collections which includes: Apollo samples, Luna samples, Ant-arctic meteorites, cosmic dust particles, microparticle impacts into space-flown materials, Genesis solar wind atoms, Stardust comet Wild-2 particles, Stardust inter-stellar particles, Hayabusa asteroid Itokawa particles, Hayabusa 2 asteroid Ryugu particles, and future OSIRIS-Rex asteroid Bennu particles (landing in Sep-tember, 2023) [1–3]. To enhance JSC’s advanced cu-ration capabilities, we have recently installed a high-performance micro-X-ray fluorescence (µXRF) spec-trometer to assist in sample characterization through rapid, non-destructive, in-situ elemental analyses that do not require the sample preparation protocols (i.e., polishing and carbon-coating) commonly needed for electron beam analyses. With this new instrument, we are capable of detecting all elements down to carbon in a variable-pressure or He-purged chamber for anal-ysis of a wide range of sample types. Here we describe the instrumental set-up, capabilities, and applicability of µXRF analysis to astromaterials curation and re-search. Instrumentation and Methodology: The X-ray fluorescence and computed tomography lab (X-FaCT) lab at JSC is now equipped with a Bruker M4 Tornado Plus µXRF (Fig. 1). This system is an energy-dispersive x-ray spectrometer equipped with two 60 mm2 silicon drift detectors (SDD) that are able to be used simulta-neously for output count rates ~500,000 cps. New light element windows allow detecting and analyzing the entire elemental range from carbon to americium. Two x-ray tubes (micro-focus Rh with polycapillary lenses and W with collimators of 0.5, 1.0, 2.0, and 4.5 mm) with max excitation parameters of 50 kV, 30 W and 50 kV, 40 W, respectively, allow for more flexibility of the analysis of high energy lines. The motorized X-Y-Z stage has a mapping range of 190 x 160 mm and can support samples up to 7 kg (~15.5 lbs) and a height of 120 mm [4]. Analytical modes include elemental analysis (down to ~20 µm spot size) via point, line, or area of bulk materials (rock surfaces, thin sections, thick sections, etc.) as well as coating analysis (determination of thickness and composition) of samples. This system has a variable vacuum chamber (1 mbar to 1 atm) that is also equipped with a He-purge system which accommodates vacuum sensitive samples while still allowing detection of light elements at atmospheric pressure. Utility and Applicability of µXRF in Astro-materials research and exploration science (ARES): Elemental analysis using µXRF is commonly em-ployed for both terrestrial and planetary geological science disciplines [5]. It is especially useful for analy-sis of astromaterials given the limited sample prepara-tion required, which is not feasible for certain materi-als. Here we show select applications of µXRF anal-yses of astromaterials that can, have, and will be done at JSC’s X-FaCT lab. Point analysis: In-situ spot analyses (~20 µm spot size) on a cut slab of Martian meteorite NWA 10922 allowed for the discovery, qualitative elemental analy-sis and determination of different feldspar minerals [6]. These point analyses served as an effective prelim-inary step for subsequent quantitative analyses. Ana-lytical standards can be employed for more accurate quantification of µXRF spot analyses. Area analysis: This analytical mode measures all detectable elements (from C to Am) at each pixel (>5 µm pixel size) in a user-defined area. The results are shown as elemental maps which can be extracted as 16-bit TIFF’s for further data processing. In Fig. 2. we show elemental distribution maps of the high-Ti basalt 73001,531 that have been processed using ImageJ software. From these maps you can accurately and quickly (this map took ~50 mins.) identify mineral components, such as pyroxene, plagioclase, oxides, and phosphates, compositional zoning, and mineral textures. Detection of high-Z phases: µXRF techniques are es-pecially effective at analyzing trace minerals with high-atomic-number (high-Z) elements because the high-energy characteristic X-rays used (relative to SEM EDS) allow for mapping of K lines in elements up to La (typically SEM maps use L X-ray lines for elements >Zn, and these can often have interferences). Thus, µXRF is especially suited for identifying minerals like zircon, baddeleyite, REE-rich phosphates, Fe-rich met-als, oxides, sulfides, and phosphides [4]. In Fig. 3 we show elemental distribution maps for 73001,530 where we are able to correlate the original video image with, Zr, Si, Y and Hf elemental maps together identi-fying the location of a zircon. In this location you would expect lower Si compared to surrounding mate-rial, as well as higher Zr, Y, and Hf content compared to surrounding material, all of which is confirmed by our XRF ele-mental distribution maps (Figure 2.) Conclusions: The new M4 Tornado Plus µXRF within the Astromaterials Acquisition and Curation office at NASA JSC allows for rapid and non-destructive elemental analysis of astromaterials with limited or no sample preparation. µXRF analyses pro-vide crucial compositional knowledge for the prelimi-nary examination and curation of astromaterials. This instrument enhances the advanced curation capabili-ties in the X-FaCT laboratory at JSC by allowing pro-ductive, cohesive, and non-destructive multi-modal x-ray analyses on astromaterial samples, which is neces-sary for the comprehensive curation and study of our current and future astromaterial collections. Addition-ally, µXRF can provide complimentary information to researchers for studies on astromaterials. References: [1] Allen, C. et al., (2011). Chemie De Erde Geochemistry, 71, 1-20. [2] McCubbin, F. M. et al., (2016) 47th LPSC, abstract #2668 [3] Zeigler, R. A. et al., (2017) 48th LPSC, abstract #2772 [4] Bruker User Manual [5] Young et al., (2016) Appl. Geochemistry, 72, 77-87 [6] Mor-ris, R. V. et al., (2023) 54th LPSC.

E W O'Neal↗
DOE OSTI2025

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↗
DOE OSTI2025

Mondo: integrating disease terminology across communities

Precision medicine aims to enhance diagnosis, treatment, and prognosis by integrating multimodal data at the point of care. However, challenges arise due to the vast number of diseases, differing methods of classification, and conflicting terminological coding systems and practices used to represent molecular definitions of disease. This lack of interoperability artificially constrains the potential for diagnosis, clinical decision support, care outcome analysis, as well as data linkage across research domains to support the development or repurposing of therapeutics. There is a clear and pressing need for a unified system for managing disease entities⁠—including identifiers, synonyms, and definitions. To address these issues, we created the Mondo disease ontology—a community-driven, open-source, unified disease classification system that harmonizes diverse terminologies into a consistent, computable framework. Mondo integrates key medical and biomedical terminologies, including Online Mendelian Inheritance in Man (OMIM), Orphanet, Medical Subject Headings (MeSH), National Cancer Institute Thesaurus (NCIt), and more, to provide a comprehensive and accurate representation of disease concepts with fully provenanced and attributed links back to the sources. Mondo can be used as the handle for curation of gene–disease associations utilized in diagnostic applications, research applications such as computational phenotyping, and in clinical coding systems in clinical decision support by pointing the clinician to the numerous knowledge resources linked to the Mondo identifier. Mondo's community-centric approach, stewarded by the Monarch Initiative's expertise in ontologies, ensures that the ontology remains adaptable to the evolving needs of biomedical research and clinical communities, as well as the knowledge providers.

biomedical informatics↗
DOE OSTI2024

Neutrons in Structural Biology: Challenges and Opportunities (Workshop Report)

Gaining a thorough understanding of biological systems requires building our knowledge about biological processes from the level of atoms and electrons, and up to whole organisms. Such comprehensive knowledge will allow for a predictive understanding of complex biological systems behavior. It will guide us in the design and development of novel therapeutics and vaccines to tackle existing health threats and to prepare for future pandemics, and it will provide information necessary to create new biomaterials and bio-inspired technologies through manipulation of biological macromolecules, their assemblies, single cells and even microorganisms. Reaching these goals will require a synergistic combination of multiple experimental techniques with molecular calculations and predictive simulations, and the design and development of new techniques and capabilities that bridge current knowledge and technology gaps. Neutron scattering provides unique information about the biomacromolecular structure and function and can play a major role in achieving these goals. A workshop was held to engage the scientific community in identifying pressing challenges in biochemistry, structural biology, enzymology and structure-guided drug design not solved with the current neutron scattering technologies or utilizing other structural biology techniques such as X-ray crystallography, NMR, and cryo-EM. The workshop brought together structural biology, biochemistry and computational experts, as well as early career researchers and students, creating a forum for discussing scientific advancement and collaboration. The workshop included a one-day satellite training workshop where graduate students and postdoctoral researchers were educated in the application of neutron crystallography and small-angle scattering in structural biology. Furthermore, the Instrument Scientific Advisory Board (ISAB) for the development of a macromolecular neutron diffractometer at ORNL’s Second Target Station was introduced at the workshop. The major outcome was that neutrons can provide atomic-level understanding of biomacromolecular structure, function and dynamics which is of paramount importance for addressing the identified challenges. Neutron crystallography, in particular, can resolve long-standing biochemical issues regarding enzyme function by delineating the underlying chemistry and can have a major impact on the design of small-molecule therapeutics, especially in combination with molecular computation (quantum chemistry and molecular dynamics simulations) and the emerging artificial intelligence (AI)-assisted drug design technologies. The unique properties of neutrons, including their high sensitivity to hydrogen and their non-destructive nature, make them ideal probes of biological matter. There is a palpable need in the scientific community to expand and enhance the impact of neutron sciences on biology. Neutron crystallography is the only structural biology method capable of determining positions of all hydrogen atoms in proteins, nucleic acids and their complexes at near-physiological temperatures and of unstable species at cryogenic temperatures. Moreover, neutron analysis is non-ionizing, non-destructive and does not perturb the structure or redox chemistry of active site metal centers and clusters in proteins, which can be invaluable for studying radiation-sensitive metalloprotein complexes. Further, neutron energies used in scattering applications are similar to atomic motions, permitting neutron spectroscopies to characterize the dynamics of biomacromolecules on the picosecond to microsecond timescales. The different sensitivities of neutrons to protium (H) and deuterium (D) isotopes of hydrogen allow enhanced visibility of specific parts of biological complexes through isotopic labeling. The impact of neutrons will be most powerful when neutron scattering is combined with complementary experimental techniques that use photons and electrons, and with high-performance computing. The interconnection and mutuality of the experimental and theoretical capabilities will drive discoveries in biological and health sciences to generate more complete picture of complex biological systems. The major limitation in the field of biological neutron crystallography has been signal-to-noise, demanding large samples that are difficult to produce for the majority of biomacromolecules and limiting the applicability of this technique in biological sciences. A neutron crystallography instrument at the Second Target Station will revolutionize biological science with neutrons by engaging a large scientific community of structural biologists, enabling successful neutron diffraction experiments from radically smaller biomacromolecular crystals, resolving unanswered biochemical questions, and meaningfully contributing to rational drug design. The meeting highlighted 10 grand challenges that will be addressed with this advanced capability over the next decade and beyond, and the recommendations required to help address them are given below.

59 BASIC BIOLOGICAL SCIENCES↗
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.↗
DOE OSTI2025

Gerischer Electrochemistry Today

Semiconductor photoelectrochemistry is a dynamic and interdisciplinary field at the forefront of research in solar fuels, energy conversion, and catalysis. Here, this Perspective captures the collective insights from the second Gerischer Electrochemistry Today Symposium, held at Colorado State University in Fort Collins, CO, in August 2024, which convened leading researchers, early-career scientists, and industry partners to define the critical next steps for the field. Through interactive sessions, technical talks, panel discussions, and training initiatives─including a Semiconductor Electrochemistry Bootcamp─the symposium emphasized three pillars of advancement: (i) facilitating the exchange of new ideas in semiconductor electrochemistry and charge separation; (ii) fostering the development of future researchers, research topics, and participation in the semiconductor workforce; and (iii) building community. This Energy Focus distills key themes from the meeting and identifies major knowledge gaps in the following areas: mechanisms of charge separation and recombination, role of defects and disorder, dynamic and operando characterization methods, interfacial chemistry and surface passivation, theoretical and modeling limitations, and standardization and benchmarking. The inclusive and collaborative structure of the symposium enabled the generation of this comprehensive report that will serve as a roadmap for fundamental and applied research in the rapidly evolving field of semiconductor electrochemistry over the next decade.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗