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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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National Aeronautics and Space Administration Biological and Physical Research Enterprise Strategy

As the 21st century begins, NASA's new Vision and Mission focuses the Agency's Enterprises toward exploration and discovery.The Biological and Physical Research Enterprise has a unique and enabling role in support of the Agency's Vision and Mission. Our strategic research seeks innovations and solutions to enable the extension of life into deep space safely and productively. Our fundamental research, as well as our research partnerships with industry and other agencies, allow new knowledge and tech- nologies to bring improvements to life on Earth. Our interdisciplinary research in the unique laboratory of microgravity addresses opportunities and challenges on our home planet as well as in space environments. The Enterprise maintains a key role in encouraging and engaging the next generation of explorers from primary school through the grad- uate level via our direct student participation in space research.The Biological and Physical Research Enterprise encompasses three themes. The biological sciences research theme investigates ways to support a safe human presence in space. This theme addresses the definition and control of physiological and psychological risks from the space environment, including radiation,reduced gravity, and isolation. The biological sciences research theme is also responsible for the develop- ment of human support systems technology as well as fundamental biological research spanning topics from genomics to ecologies. The physical sciences research theme supports research that takes advantage of the space environment to expand our understanding of the fundamental laws of nature. This theme also supports applied physical sciences research to improve safety and performance of humans in space. The research partnerships and flight support theme establishes policies and allocates space resources to encourage and develop entrepreneurial partners access to space research.Working together across research disciplines, the Biological and Physical Research Enterprise is performing vital research and technology development to extend the reach of human space flight.

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Langley's DEVELOP Team Applies NASA's Earth Observations to Address Environmental Issues Across the Country and Around the Globe

The DEVELOP National Program was established over a decade ago to provide students with experience in the practical application of NASA Earth science research results. As part of NASA's Applied Sciences Program, DEVELOP focuses on bridging the gap between NASA technology and the public through projects that innovatively use NASA Earth science resources to address environmental issues. Cultivating a diverse and dynamic group of students and young professionals, the program conducts applied science research projects during three terms each year (spring, summer, and fall) that focus on topics ranging from water resource management to natural disasters.

Childs, Lauren M.↗

Hands-On Computer Science: The Array of Things Experimental Urban Instrument

Chicago's Array of Things (AoT) project is aptly described as a technology experiment or a "smart city" prototype. The concept of such an extensible "instrument" arose within a larger translational research vision applying computer science and engineering research for the multidimensional benefit of people and communities in cities. The AoT project hypothesized that wireless intelligent sensor networks could enable both quantitative social science and urban monitoring while also stimulating youth interest in science and technology. Successful deployment of such sensor networks could provide open data from urban measurements not only in support of diverse research questions-in environmental dynamics, urban architecture, engineering, and social sciences-but also informing community groups and city planners. Further, the AoT project and its successor SAGE project are a computer science and engineering experiment, but its success is inextricably tied to community engagement and experiential education. Simply put, community acceptance is a prerequisite to installing and testing the instrument.

97 MATHEMATICS AND COMPUTING↗

Accelerating Discovery to Deployment: Argonne's Materials Engineering Research Facility (MERF) and Its Role in Scaling Materials Technologies for Water and Resource Solutions

The U.S. Department of Energy (DOE) national laboratories represent a unique class of government‐owned, contractor‐operated research institutions dedicated to conducting research and development (R&D) related activities that address national priorities, supporting and advancing the DOE mission. They play a vital role in sustaining U.S. innovation capacity, stewarding the nation's technical base, and nurturing science and technologies. In this perspective, we highlight the processing science and scaleup capabilities of the Materials Engineering Research Facility (MERF) at DOE's Argonne National Laboratory to demonstrate how DOE National Laboratories bridge fundamental science and applied technology development to accelerate deployment. Case studies are presented on selective membranes for critical mineral recovery, sensors for per‐ and polyfluoroalkyl substances (PFAS) detection, surface functionalization via atomic layer deposition (ALD) and sequential infiltration synthesis (SIS), and lithium recovery from battery recycling waste streams using a novel electrodialysis process. These examples underscore MERF's role in translating innovative technologies into practical solutions for renewable water and critical resource recovery, which also leverage Argonne's analytical and computational capabilities. This perspective also outlines mechanisms for collaborating with the DOE national laboratories to strengthen partnerships across government, the national laboratories, academia, and industry.

36 MATERIALS SCIENCE↗

Tuning crack-inclusion interaction with an applied T -stress

The interaction between cracks and inclusions plays an important role in the fracture behavior of particulate composites. It is commonly recognized that an inclusion stiffer than the matrix tends to deflect an approaching crack away while a softer inclusion attracts the crack. Here, we demonstrate by analytical modeling and numerical simulations that the crack-inclusion interaction can be tuned by an applied T-stress. Under a sufficiently large compressive applied T-stress, cracks can be attracted to stiffer inclusions while repelled by softer ones, therefore reversing the conventional trend. Potential applications of this work include composite electrodes in lithium-ion batteries and hydraulic fracturing.

36 MATERIALS SCIENCE↗

A Decade of GRETINA Science

High-resolution γ-ray detector arrays have driven many scientific advances and discoveries in nuclear physics. Today, they provide a powerful and essential tool for a broad class of measurements in the study of nuclear structure and reactions, nuclear astrophysics, and applied nuclear science. In this article, we present an overview of the scientific program that has been enabled by the γ-ray tracking array GRETINA [Pas13]. This program is being carried out at both stable and radioactive ion beam facilities, employs a wide range of beam energies and reactions (from the Coulomb barrier to more than 30% the speed of light), and reflects the varied application of a γ-ray tracking array.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Radio Science Concepts and Approaches for Jupiter Icy Moons Orbiter

Radio Science experiments have been conducted on most deep space missions leading to numerous scientific discoveries. A set of concepts and approaches are proposed for the Jupiter Icy Moons Orbiter (JIMO) to apply Radio Science tools to investigate the interior structures of the Galilean Satellites and address key questions on their thermal and dynamical evolution. Measurements are identified that utilize the spacecraft's telecommunication system. Additional instruments can augment these measurements in order to leverage observational synergies. Experiments are also offered for the purpose of investigating the atmospheres and surfaces of the satellites.

Anderson, J. D.↗

Tackling Climate Change with Machine Learning

Climate change is one of the greatest challenges facing humanity, and we, as machine learning (ML) experts, may wonder how we can help. Here we describe how ML can be a powerful tool in reducing greenhouse gas emissions and helping society adapt to a changing climate. From smart grids to disaster management, we identify high impact problems where existing gaps can be filled by ML, in collaboration with other fields. Our recommendations encompass exciting research questions as well as promising business opportunities. We call on the ML community to join the global effort against climate change.

54 ENVIRONMENTAL SCIENCES↗

Enabling Exchange and Adequate Use of Data for Observation Based Atmospheric Research

Systematic long-term field observations have played a vital role in advancing atmospheric research over the past several decades. The use of these observations has expanded from primarily characterizing atmospheric processes and trends to evaluating satellite measurements, assessing models, and improving air quality forecasts. Consequently, the demand for atmospheric chemistry observational data have dramatically increased in terms of scope and coverage of measurements (i.e., parameters/species, spatiotemporal extent). In addition to high quality measurements, certain data reporting standards need to be agreed to ensure the data can be readily exchanged and are sufficiently documented to enable adequate use in different research activities. To this end, WMO has developed and implemented measurement guidelines and community practices for meteorology, climatology, atmospheric and hydrological sciences. In addition, the WMO Expert Team on Metadata Standards manages and evolves the existing metadata standards for the WMO Information System WIS and WMO Integrated Global Observing System WIGOS to support consistent and interoperable data descriptions, ensure relevance to research, and to apply data science principles. This team draws on a wide range of expertise from the research community, including atmospheric measurements, modeling, data management, and data science. The current activities include development of key performance indicators, vocabularies for metadata and the evolution of metadata standards to lower the barrier of application to weather/climate/water/environment data for all communities and the weather enterprise. This presentation intends to promote awareness of ongoing progress and actively solicit community feedback.

Field Observations↗

In situ microbeam surface X-ray scattering reveals alternating step kinetics during crystal growth

The stacking sequence of hexagonal close-packed and related crystals typically results in steps on vicinal {0001} surfaces that have alternating A and B structures with different growth kinetics. However, because it is difficult to experimentally identify which step has the A or B structure, it has not been possible to determine which has faster adatom attachment kinetics. Here we show that in situ microbeam surface X-ray scattering can determine whether A or B steps have faster kinetics under specific growth conditions. We demonstrate this for organo-metallic vapor phase epitaxy of (0001) GaN. X-ray measurements performed during growth find that the average width of terraces above A steps increases with growth rate, indicating that attachment rate constants are higher for A steps, in contrast to most predictions. Overall, our results have direct implications for understanding the atomic-scale mechanisms of GaN growth and can be applied to a wide variety of related crystals.

36 MATERIALS SCIENCE↗

Game Based Learning For Earth Science Applications Training

Current NASA Earth capacity development programs employ mechanisms ranging from online resource sharing, and virtual and in-person trainings to share knowledge. While these programs are highly successful at engaging individuals around the world – in 2018, over 8000 individuals and over 2000 institutions from all 50 US states and over 140 countries were engaged through over 150 projects and trainings – user feedback has highlighted the desire for expanded hands-on, practical experiences in incorporating NASA EO insights with localized data and actions. We aim to address this gap by leveraging the benefits of game-based learning to build user skills in integrating NASA and local EO data to guide decisions for climate resiliency and hazard planning. This project is being executed as a two-phase crowdsourced challenge: 1) Phase 1 will require a well-researched product concept that reflects an understanding of NASA’s Earth data and tools and user needs, and proposes an innovative and interactive game or extended reality experience to train users in identifying relevant NASA data and applying insights to their climate resiliency decisions; 2) Winners of Phase 1 will be provided seed funding to develop a working prototype of the product. We aim to award 1-3 final winners to support the development of more than one game, thereby ensuring that NASA's diverse audiences around the world can access training games that best suit their needs and capabilities. This EO training game project fits in the NASA Earth Science Applied Sciences Program’s Capacity Development Program, contributing to the program mission of “helping people around the world better understand [NASA’s Earth] data and find ways to use them” (https://appliedsciences.nasa.gov/what-we-do/capacity-building). The final training game will complement existing programmatic activities of workforce development, trainings, and collaborative projects, while providing the unique value of providing interactive experiences to users and collecting real-time data and feedback to improve NASA’s Earth applications’ products and services related to climate resilience.

Human centered design↗

Real-Time Science Decisioning During High Tempo-High Intensity Mission Operations and the Role of Analogs

Introduction: NASA’s VIPER mission presents a unique operational paradigm within the history of robotic spaceflight. The proximity of the Moon to the Earth and the terrain elements (surface characteristics, light/shadow dynamics, communication links) of the lunar South Polar landing site create unprecedented operational conditions between these two planetary bodies. Apollo era lunar science and exploration included humans in situ to operate instruments and assimilate observational inputs in real-time. Previous lunar orbital missions have worked to operational timescales, e.g., decisional timelines and communication exchanges, that were weeks in length. Mars rover missions have worked to operational timescales, e.g., decisional timelines and communication exchanges between Mars and Earth, that were hours, days, and weeks in length. In the case of the VIPER mission, our operational decisioning for rover driving and instrument commanding will be compressed to minute-scale timeframes. These operational conditions directly impact the manner and speed with which the VIPER Science Team (VST) is required to synthesize and analyze data and produce timely science-driven decisions throughout surface mission operations. The VST shall provide mission enhancing scientific input to guide rover traverse planning and drill site confirmation and selection throughout surface operations. Further, the VST input will be of vital importance to the mission’s ability to maximize science return and to meet broader NASA objectives for future lunar in-situ resource utilization (ISRU)and exploration activities. The VST co-located in the Mission Science Center (MSC) will be responsive to the tactical operational cadence of the Mission Operations Center (MOC) and will provide further strategic and Long-Term Planning (LTP) guidance to the mission. The VIPER Science Operations & Integration(SO&I)team has developed an architecture that is focused on the infusion of science-decisioning into the operational framework and execution cadence of VIPER. NASA analog research has played a significant role in the construction of the VIPER science operations systems. As an example, the SO&I team has led analog missions that have focused on bringing together expertise in the sciences (natural, applied and social) and in operations in service of learning how to build and hold together interdisciplinary work environments and what tools are needed to support high tempo, high intensity integrated decisioning. These experiences have provided an essential foundation of knowledge to the VIPER team. Those analogs that specifically influenced the VIPER science operations construct were identified through a process of comparative analysis to prioritize those that offered relevance in whole or in part, and those that did not. The analog research output that provided extensibility to the VIPER science operations architecture included remote teams of humans and robots in cooperation (synchronous and asynchronous) with simulated earthbound systems, engineering and science teams, and the integrated assembly of tools that supported scientific analysis and data synthesis and provided infrastructure for the remote testing framework. Analogs which included real-time data monitoring, synthesis, visualization and access in a democratized and operationalized manner were of particular interest to the development of the VIPER MSC toolset both in terms of the technology and the processes used to develop the supporting infrastructure. We anticipate that each subsequent mission to the lunar south pole, whether with robots or humans, will be able to optimize science and exploration return by evolving strategies to infuse real-time collaborative science-decisioning. Furthermore, these efforts will result in a foundation for science operations development in support of human-robotic exploration of deep space and Mars. NASA analogs can continue to provide the opportunity to prepare, test and iterate on the operational concepts and tools that will support these ever-expanding space exploration efforts. Our presentation will include an overview of the VIPER Science Operations & Integration development process and specifics on what aspects of analog research have had a significant impact on our work systems.

D S S Lim↗

Building surrogate models of nuclear density functional theory with Gaussian processes and autoencoders

From the lightest Hydrogen isotopes up to the recently synthesized Oganesson (Z = 118), it is estimated that as many as about 8,000 atomic nuclei could exist in nature. Most of these nuclei are too short-lived to be occurring on Earth, but they play an essential role in astrophysical events such as supernova explosions or neutron star mergers that are presumed to be at the origin of most heavy elements in the Universe. Understanding the structure, reactions, and decays of nuclei across the entire chart of nuclides is an enormous challenge because of the experimental difficulties in measuring properties of interest in such fleeting objects and the theoretical and computational issues of simulating strongly-interacting quantum many-body systems. Nuclear density functional theory (DFT) is a fully microscopic theoretical framework which has the potential of providing such a quantitatively accurate description of nuclear properties for every nucleus in the chart of nuclides. Thanks to high-performance computing facilities, it has already been successfully applied to predict nuclear masses, global patterns of radioactive decay like β or γ decay, and several aspects of the nuclear fission process such as, e.g., spontaneous fission half-lives. Yet, predictive simulations of nuclear spectroscopy—the low-lying excited states and transitions between them—or of nuclear fission, or the quantification of theoretical uncertainties and their propagation to basic or applied nuclear science applications, would require several orders of magnitude more calculations than currently possible. However, most of this computational effort would be spent into generating a suitable basis of DFT wavefunctions. Such a task could potentially be considerably accelerated by borrowing tools from the field of machine learning and artificial intelligence. In this paper, we review different approaches to applying supervised and unsupervised learning techniques to nuclear DFT.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Research in progress and other activities of the Institute for Computer Applications in Science and Engineering

This report summarizes research conducted at the Institute for Computer Applications in Science and Engineering in applied mathematics and computer science during the period April 1, 1993 through September 30, 1993. The major categories of the current ICASE research program are: (1) applied and numerical mathematics, including numerical analysis and algorithm development; (2) theoretical and computational research in fluid mechanics in selected areas of interest to LaRC, including acoustic and combustion; (3) experimental research in transition and turbulence and aerodynamics involving LaRC facilities and scientists; and (4) computer science.

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MIBiG 4.0: advancing biosynthetic gene cluster curation through global collaboration

Specialized or secondary metabolites are small molecules of biological origin, often showing potent biological activities with applications in agriculture, engineering and medicine. Usually, the biosynthesis of these natural products is governed by sets of co-regulated and physically clustered genes known as biosynthetic gene clusters (BGCs). To share information about BGCs in a standardized and machine-readable way, the Minimum Information about a Biosynthetic Gene cluster (MIBiG) data standard and repository was initiated in 2015. Since its conception, MIBiG has been regularly updated to expand data coverage and remain up to date with innovations in natural product research. Here, we describe MIBiG version 4.0, an extensive update to the data repository and the underlying data standard. In a massive community annotation effort, 267 contributors performed 8304 edits, creating 557 new entries and modifying 590 existing entries, resulting in a new total of 3059 curated entries in MIBiG. Particular attention was paid to ensuring high data quality, with automated data validation using a newly developed custom submission portal prototype, paired with a novel peer-reviewing model. MIBiG 4.0 also takes steps towards a rolling release model and a broader involvement of the scientific community. MIBiG 4.0 is accessible online at https://mibig.secondarymetabolites.org/.

59 BASIC BIOLOGICAL SCIENCES↗

Fusion Materials Research at Oak Ridge National Laboratory in FY22

The materials science challenge of providing a suite of suitable materials to satisfy the technology to achieve fusion energy is addressed in this ORNL program. The inability of currently available materials and components to withstand the harsh fusion nuclear environment requires development of new materials, and an understanding of their response to the fusion environment. The overarching goal of the ORNL fusion materials program is to provide the applied materials science support and materials understanding to underpin the ongoing DOE Office of Science - Fusion Energy Sciences program, in parallel with developing the materials for fusion power systems. In this effort the program continues to be integrated both with the larger U.S. and international fusion materials communities and with the U.S. and international fusion design and technology communities.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Fusion Materials Research at Oak Ridge National Laboratory in Fiscal Year 2023

The materials science challenge of providing a suite of suitable materials to satisfy the technology to achieve fusion energy is addressed in this ORNL program. The inability of currently available materials and components to withstand the harsh fusion nuclear environment requires development of new materials, and an understanding of their response to the fusion environment. The overarching goal of the ORNL Fusion Materials program is to provide the applied materials science support and materials understanding to underpin the ongoing DOE Office of Science—Fusion Energy Sciences program, in parallel with developing the materials for fusion power systems. In this effort the program continues to be integrated both with the larger U.S. and international fusion materials communities and with the U.S. and international fusion design and technology communities. The excitement of this program comes from the priorities given to this subject in the two recent fusion reviews, by the FESAC and NAS committees. An important element of those recommendations is the support for pivoting the national R&D emphasis to the Fusion Materials and Technologies (FM&T), the long-advocated Fusion Prototypic Neutron Source, and for the Fusion Pilot Plant study that will help focus program direction and efforts. Furthermore, the surge of venture capital investment into the private fusion industry start-ups over the last few years is anticipated to help accelerate all aspects of the fusion energy development. This twelfth annual report of the ORNL (Oak Ridge National Laboratory) Fusion Reactor Materials Program summarizes the accomplishments in Fiscal Year 2023 (FY2023). The year was the first to return to full post-COVID-restriction operations, with students and international assignees no longer impacted by COVID restrictions, as in FY20-21-22. Following the pattern of planning used in this program, work for the year FY2023 focused on having the data and productivity to support a strong presence at the International Conference on Fusion Reactor Materials (ICFRM) 21, organized by Spain and occurred in October 2023. Twenty-nine ORNL-led abstracts were submitted, with all accepted. Four were invited presentations, nine contributed oral, fourteen posters, and two withdrawn due to unforeseen circumstances. Additionally, nine external abstracts with ORNL contributing authors were presented. These will be reported in the FY24 report next year.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗