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All sourcesNASA NTRSDOE OSTI
NASA NTRS2023

Data Sharing in Radiation Biology: Towards FAIR

The value of scientific data depends on their findability, accessibility, integrability and reusability according to the FAIR principles. Together with the sustainability of data preservation and access, these principles underpin the long term benefits of scientific research. Within the domain of radiobiology we have a huge array of data types, themes and complexities which make standardisation of metadata, data structure and data integration very challenging. Moreover, it is clear that, for example, in the area of disaster preparedness, the ready discovery and availability of multiple types of data, for example on biological effects of exposure, climatology, ecology, human behavioural and attitudinal studies, is important for an integrated scientific approach. Because these data are spread over many databases, journal supplementary information resources and even the computers of the investigators, their discovery and reuse can be challenging. Despite exhortations from funding agencies and scientific institutions over the past two decades there is still a serious deficit in the willingness and in some cases the ability of investigators to share data, and although much may not be formally "Public domain“, information about the existence of the data, their metadata, and how to obtain them should always be available. We report the progress of work on three databases, the STORE and the NASA GeneLab and LSDA repositories to leverage the Radiation Biology Ontology (RBO), a structured terminology for metadata that can be used by all radiation biology-relevant databases to unite federated and automated data searches across multiple databases, for example using web services, and through semantic web technologies supporting data discovery. The initial primary use-cases for RBO were archiving data in the STORE database (https://www.storedb.org/), the repository used for the RadoNorm and Pianoforte Projects among others, and in the NASA Open Science Data Repository (https://osdr.nasa.gov/bio). The scope of radiobiology research ranges from basic physics to radiation oncology to sociolegal studies; no existing ontology had the necessary breadth or depth to fulfill this need. In addition, a formal ontology has the advantage of being usable for machine learning and, importantly, for tasks like data integration, knowledge extraction from the scientific literature and for query extension and data classification. Standardisation of metadata is one of the primary objectives of the FAIR principles for open data; RBO is an important landmark for FAIR-compliant radiation biology data sharing. The RBO is developed using the open-source tools of GitHub and the OBO Foundry-led Ontology Development Kit, and published through GitHub and the NIH/NCBI BioPortal website. This initial phase of concept modeling has yielded an ontology that has more than 300 declared concepts, with more than 3500 additional concepts imported from other OBO Foundry ontologies with relevance to radiation biology (for example, concepts from the ISO standard Basic Formal Ontology, the Environment Ontology and the Gene Ontology). We welcome input into the development of RBO and encourage its adoption.

ontologies↗
NASA NTRS2002

Comparative Results of Using Different Methods for Discovery of Microorganisms in very Ancient Layers of the Central Antarctic Glacier above the Lake Vostok

The ice sheet of the Central Antarctic is considered by the scientific community worldwide, as a model to elaborate on different methods to search for life outside Earth. This became especially significant in connection with the discovery of the underglacial lake in the vicinity of the Russian Antarctic Station Vostok. Lake Vostok is considered by many scientists as an analog of the ice covered seas of Jupiter's satellite Europa. According to the opinion of many researchers there is the possibility that relict forms of microorganisms, well preserved since the Ice Age, may be present in this lake. Investigations throughout the thickness of the ice sheet above Lake Vostok show the presence of microorganisms belonging to different well-known taxonomic groups, even in the very ancient horizons near close to floor of the glacier. Different methods were used to search for microorganisms that are rarely found in the deep ancient layers of an ice sheet. The method of aseptic sampling from the ice cores and the results of controlled sterile conditions in all stages when conducting these investigations, are described in detail in previous reports. Primary investigations tried the usual methods of sowing samples onto different nutrient media, and the result was that only a few microorganisms grew on the media used. The possibility of isolating the organisms obtained for further investigations, by using modern methods including DNA-analysis, appears to be the preferred method. Further investigations of the very ancient layers of the ice sheet by radioisotopic, luminescence, and scanning electron microscopy methods at different modifications, revealed the quantity and morphological diversity of the cells of microorganisms that were distributed on the different horizons. Investigations over many years have shown that the microflora in the very ancient strata of the Antarctic ice cover, nearest to the bedrock, support the effectiveness of using a combination of different methods to search for signs of life in ancient icy formations, which might play a role in the long-term preservation and transportation of microbial life throughout the Universe.

Abyzov, S. S.↗
NASA NTRS1999

The Next Decade of Mars Exploration

Following a 20-year hiatus in missions to Mars, the planet has again become a focus of planetary research for space-faring nations. NASA and space agencies worldwide are returning to Mars with scientific research and public engagement sharing top priority. Collectively, the work to be performed within a decade will address much of the research associated with planetary evolution, past and present climates, and astrobiology. NASA's science goals are centered on the study of potential habitats - past and present environments that may have been suitable for the origin of life. These goals are approached through in situ measurements and through sample return. CNES has teamed with NASA to return samples, while also extending the research base by adding geophysical measurements via a network of landers. ASI has joined NASA and CNES by providing a drill to access the near sub-surface. ESA will fly an orbiter and, potentially, a lander to Mars with the goal of addressing mineralogy, geochemistry, geology, and biology. ISAS will study the planet's aeronomy using an orbiter. Many other nations are contributors to these programs of exploration. The desire for national participation, presence on the Martian surface and, most importantly, samples to analyze motivate all nations involved. So important is public engagement that NASA and CNES will launch a network of communication satellites to improve public participation and enhance scientific data return. Further, NASA is currently preparing a Mars airplane that will undoubtedly engage the public's imagination. Additional research investigations will be sought; particularly those able to utilize small spacecraft on and above the surface. A recently announced NASA/CNES series of MicroMissions offers a means of pursuing discoveries, scouting potential landing sites for sample return, and further broadening the scope of scientific research. The timing for these opportunities will be presented.

McCleese, D. J.↗
DOE OSTI2023

IRIS-HEP Strategic Plan for the Next Phase of Software Upgrades for HL-LHC Physics

The quest to understand the fundamental building blocks of nature and their interactions is one of the oldest and most ambitious of human scientific endeavors. CERN's Large Hadron Collider (LHC) represents a huge step forward in this quest. The discovery of the Higgs boson, the observation of exceedingly rare decays of $B$ mesons, and stringent constraints on many viable theories of physics beyond the Standard Model (SM) demonstrate the great scientific value of the LHC physics program. The next phase of this global scientific project will be the High-Luminosity LHC (HL-LHC) which will collect data starting circa 2029 and continue through the 2030s. The primary science goal is to search for physics beyond the SM and, should it be discovered, to study its implications. In the HL-LHC era, the ATLAS and CMS experiments will record around 100 times as many collisions as were used to discover the Higgs boson (and at twice the energy). Both NSF and DOE are making large detector upgrade investments so the HL-LHC can operate in this high-rate environment. Similar investment in software R&D for acquiring, managing, processing and analyzing HL-LHC data is critical to maximize the return-on-investment in the upgraded accelerator and detectors. This report presents a strategic plan for a possible second 5-year funded phase (2023 through 2028) for the Institute for Research and Innovation in Software for High Energy Physics (IRIS-HEP) which will close remaining software and computing gaps to deliver HL-LHC science.

43 PARTICLE ACCELERATORS↗
DOE OSTI2025

Derivation of physical equations for high-speed laser welding using large language models

It is challenging to formulate complex physical phenomena that occur in a manufacturing process, particularly when the available data are limited, rendering conventional data-driven approaches ineffective. This study aims to predict humping onset in high-speed laser welding by introducing a novel framework, namely text-to-equations generative pre-trained transformer (T2EGPT). This method leverages the capabilities of large language models (LLMs), in combination with sparse experimental data and enriched literature data, to derive an interpretable and generalizable equation for predicting humping initiation. By capturing key correlations among physical parameters, T2EGPT generates a compact and dimensionless expression that accurately predicts hump formation. The equation reveals that humping arises from the interplay between inertia-driven backward melt flow and capillary-driven surface stabilization, where inertial forces drive molten metal backward and capillary forces resist surface deformation. Furthermore, compared to traditional data-driven models, T2EGPT demonstrates enhanced predictive accuracy and cross-material transferability. More broadly, this study highlights the potential of LLMs to integrate textual information with data-driven discovery, enabling the extraction of physical laws in data-scarce scientific domains.

36 MATERIALS SCIENCE↗
DOE OSTI2024

AI for Materials Design and Discovery Using Atomistic Scale Information [Industrial and Governmental Activities]

The design and discovery of materials with desired functional properties is pivotal to the scientific mission of the United States Department of Energy (US-DOE) [1], which includes within its portfolio several important applications for the national economy and security. Importantly, these applications range from: renewable energy (e.g., solar cells, organic photovoltaics, and organic light-emitting diodes), energy storage (e.g., batteries and supercapacitors), and carbon capture and sequestration, to synthesis of manufacturing of new materials (e.g., drugs, or materials with desired conductivity, thermal stability, and catalytic activity), and nuclear energy (e.g., highly performant nuclear fuels and materials with improved nuclear shielding properties).

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1990

The strange gases of Jupiter and Saturn

The various gases found in the atmospheres of Jupiter and Saturn are discussed. A history of scientific investigation of these planets is outlined and results of these discoveries are considered. The molecular species found in these two planets are classified into several groups. The first group consists of H2, He, CH4, NH3, and H2O while the second group contains gases formed as the chemical byproducts of solar radiation, including simple hydrocarbons such as C2H2 and C2H6 and charged particles such as H3(+). The last group contains compounds which are chemically unstable in parts of Jupiter's atmosphere that have been probed and include Ge and As; two elements usually found in minerals on earth. An investigation of origin of these elements which are currently part of the upper reaches of the atmosphere of Jupiter and Saturn has led to discoveries about much deeper and hotter parts of atmospheres that can never be observed directly. A number of hypotheses are presented to account for the presence of various unexpected compounds, such as carbon monoxide.

Noll, Keith S.↗
NASA NTRS1989

Observations and theories related to Antarctic ozone changes

In 1985, there was a report of a large, sudden, and unanticipated decrease in the abundance of springtime Antarctic ozone over the last decade. By 1987, ozone decreases of more than 50 percent in the total column, and 95 percent locally between 15 and 20 km, had been observed. The scientific community quickly rose to the challenge of explaining this remarkable discovery; theoreticians soon developed a series of chemical and dynamical hypotheses to explain the ozone loss. Three basic theories were proposed to explain the springtime ozone hole. (1) The ozone hole is caused by the increasing atmospheric loadings of manmade chemicals containing chlorine (chlorofluorocarbons (CFC's) and bromine (halons)). These chemicals efficiently destroy ozone in the lower stratosphere in the Antarctic because of the special geophysical conditions, of an isolated air mass (polar vortex) with very cold temperatures, that exist there. (2) The circulation of the atmosphere in spring has changed from being predominantly downward over Antarctica to upward. This would mean that ozone poor air from the troposphere, instead of ozone rich air from the upper stratosphere, would be transported into the lower Antarctic stratosphere. (3) The abundance of the oxides of nitrogen in the lower Antarctic stratosphere is periodically enhanced by solar activity. Nitrogen oxides are produced in the upper mesosphere and thermosphere and then transported downward into the lower stratosphere in Antarctica, resulting in the chemical destruction of ozone. The climatology and trends of ozone, temperature, and polar stratospheric clouds are discussed. Also, the transport and chemical theories for the Antarctic ozone hole are presented.

Hartmann, D.↗
NASA NTRS2006

Evolution of the Hubble Space Telescope Safing Systems

The Hubble Space Telescope (HST) was launched on April 24 1990, with an expected lifespan of 15 years. Central to the spacecraft design was the concept of a series of on-orbit shuttle servicing missions permitting astronauts to replace failed equipment, update the scientific instruments and keep the HST at the forefront of astronomical discoveries. One key to the success of the Hubble mission has been the robust Safing systems designed to monitor the performance of the observatory and to react to keep the spacecraft safe in the event of equipment anomaly. The spacecraft Safing System consists of a range of software tests in the primary flight computer that evaluate the performance of mission critical hardware, safe modes that are activated when the primary control mode is deemed inadequate for protecting the vehicle, and special actions that the computer can take to autonomously reconfigure critical hardware. The HST Safing System was structured to autonomously detect electrical power system, data management system, and pointing control system malfunctions and to configure the vehicle to ensure safe operation without ground intervention for up to 72 hours. There is also a dedicated safe mode computer that constantly monitors a keep-alive signal from the primary computer. If this signal stops, the safe mode computer shuts down the primary computer and takes over control of the vehicle, putting it into a safe, low-power configuration. The HST Safing system has continued to evolve as equipment has aged, as new hardware has been installed on the vehicle, and as the operation modes have matured during the mission. Along with the continual refinement of the limits used in the safing tests, several new tests have been added to the monitoring system, and new safe modes have been added to the flight software. This paper will focus on the evolution of the HST Safing System and Safing tests, and the importance of this evolution to prolonging the science operations of the telescope.

Pepe, Joyce↗
NASA NTRS2009

Use of Cumulative Degradation Factor Prediction and Life Test Result of the Thruster Gimbal Assembly Actuator for the Dawn Flight Project

The Dawn Ion Propulsion System is the ninth project in NASA s Discovery Program. The Dawn spacecraft is being developed to enable the scientific investigation of the two heaviest main-belt asteroids, Vesta and Ceres. Dawn is the first mission to orbit two extraterrestrial bodies, and the first to orbit a main-belt asteroid. The mission is enabled by the onboard Ion Propulsion System (IPS) to provide the post-launch delta-V. The three Ion Engines of the IPS are mounted on Thruster Gimbal Assembly (TGA), with only one engine operating at a time for this 10-year mission. The three TGAs weigh 14.6 kg.

Lo, C. John↗
NASA NTRS2013

Two-step Laser Time-of-Flight Mass Spectrometry to Elucidate Organic Diversity in Planetary Surface Materials.

Laser desorption/ionization time-of-flight mass spectrometry (LD-TOF-MS) holds promise to be a low-mass, compact in situ analytical capability for future landed missions to planetary surfaces. The ability to analyze a solid sample for both mineralogical and preserved organic content with laser ionization could be compelling as part of a scientific mission pay-load that must be prepared for unanticipated discoveries. Targeted missions for this instrument capability include Mars, Europa, Enceladus, and small icy bodies, such as asteroids and comets.

Europa↗
NASA NTRS2021

Characterization of Spacesuit Associated Microbial Communities and their Implications for NASA Missions

Crewed National Aeronautics and Space Administration (NASA) missions to other solar system bodies are currently being planned. One high-profile scientific focus during such expeditions would be life detection, specifically the discovery of past or present microbial life, if they exist. However, both humans and associated objects typically carry a high microbial burden. Thus, it is essential to distinguish between microbes brought with the expedition and those present on the exploring planets. Modern spacesuits are unique, customized spacecraft which provide protection, mobility and life support to crew during spacewalks, yet they vent continuously, and the mobility of microbes through spacesuits has not been studied. To evaluate the microbial colonization of spacesuits, NASA used an Extravehicular Activity swab kit to examine viable microbial populations of 48 samples from spacesuits using both traditional microbiological methods and molecular sequencing methods. The cultivable microbial population ranged from below the detection limit to 9 x 102 colony forming units per 25 cm2 of sample and also significantly varied by the location. The cultivable microbial diversity was dominated by members of Bacillus, Arthrobacter, and Ascomycota. However, 16S rRNA-based viable bacterial burden ranged from 105 to 106 copies per 25 cm2 of sample. Shotgun metagenome sequencing revealed the presence of a diverse microbial population on the spacesuit surfaces, including Curtobacterium and Methylobacterium from across all sets of spacesuits in high abundance. Among bacterial species identified, higher abundance of Cutibacterium acnes, Methylobacterium oryzae, and M. phyllosphaerae reads were documented. The results of this study provide evidence that identical microbial strains may live on the wrist joint, inner gauntlet, and outer gauntlet of spacesuits. This raises the possibility, but does not confirm, that viable microbes are able to migrate between the interior and exterior of spacesuits. Overall, these data provide the first estimate of microbial dispersion from internal to external spacesuit surfaces, which will help future mission planners develop effective planetary protection strategies.

spacesuit↗
DOE OSTI2021

Discovery of an Antarctic Ascidian-Associated Uncultivated Verrucomicrobia with Antimelanoma Palmerolide Biosynthetic Potential

The Antarctic marine ecosystem harbors a wealth of biological and chemical innovation that has risen in concert over millennia since the isolation of the continent and formation of the Antarctic circumpolar current. Scientific inquiry into the novelty of marine natural products produced by Antarctic benthic invertebrates led to the discovery of a bioactive macrolide, palmerolide A, that has specific activity against melanoma and holds considerable promise as an anticancer therapeutic. While this compound was isolated from the Antarctic ascidian Synoicum adareanum, its biosynthesis has since been hypothesized to be microbially mediated, given structural similarities to microbially produced hybrid nonribosomal peptide-polyketide macrolides. Here, we describe a metagenome-enabled investigation aimed at identifying the biosynthetic gene cluster (BGC) and palmerolide A-producing organism. A 74-kbp candidate BGC encoding the multimodular enzymatic machinery (hybrid type I-trans-AT polyketide synthase-nonribosomal peptide synthetase and tailoring functional domains) was identified and found to harbor key features predicted as necessary for palmerolide A biosynthesis. Surveys of ascidian microbiome samples targeting the candidate BGC revealed a high correlation between palmerolide gene targets and a single 16S rRNA gene variant (R = 0.83 to 0.99). Through repeated rounds of metagenome sequencing followed by binning contigs into metagenome-assembled genomes, we were able to retrieve a nearly complete genome (10 contigs) of the BGC-producing organism, a novel verrucomicrobium within the Opitutaceae family that we propose here as “Candidatus Synoicihabitans palmerolidicus.” The refined genome assembly harbors five highly similar BGC copies, along with structural and functional features that shed light on the host-associated nature of this unique bacterium.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1992

Scientific objectives of a Solar Probe mission

The Solar Probe is a mission of exploration and discovery in an uninvestigated region near the sun. The Solar Probe can enhance general understanding of the corona and the solar wind. The first in situ measurements of coronal particles and fields are expected to provide definitive discriminators among many currently proposed models of processes that shape the structure and dynamics of the outer corona and solar wind. In addition, observations of the development of turbulence, nonlinear wave processes, plasma heating, and particle acceleration in the corona can advance these areas of plasma physics in a regime neither duplicated by earth-based laboratories nor by previous space exploration. It also fills the last gap between knowledge of the terrestrial response to solar output as well as provide insight for interpreting observations of general stellar envelopes.

Feldman, W.↗
DOE OSTI2024

Accelerating Computational Materials Discovery with Machine Learning and Cloud High-Performance Computing: from Large-Scale Screening to Experimental Validation

High-throughput computational materials discovery has promised significant acceleration of the design and discovery of new materials for many years. Despite a surge in interest and activity, the constraints imposed by large-scale computational resources present a significant bottleneck. Furthermore, examples of large-scale computational discovery carried through experimental validation remain scarce, especially for materials with product applicability. In this paper, we demonstrate how this vision became reality by first combining state-of-the-art artificial intelligence (AI) models and traditional physics-based models on cloud high performance computing (HPC) resources to quickly navigate through more than 32 million candidates and predict around half a million potentially stable materials. Focusing on solid-state electrolytes for battery applications, our discovery pipeline further identified 18 promising candidates with new compositions and rediscovered a decade’s worth of collective knowledge in the field as a byproduct. By employing around one thousand virtual machines in the cloud, this process took less than 80 hours. We then synthesized and experimentally characterized the structures and conductivities of our top candidates, the Na x Li 3-x YCl 6 (0.5 ≤ x ≤ 2.5) series, demonstrating the potential of these compounds to serve as solid electrolytes. Additional candidate materials are currently under experimental investigation that could offer more examples of the computational discovery of new phases of Li- and Na-conducting solid electrolytes. We believe this unprecedented approach of synergistically integrating AI models and cloud HPC not only accelerates materials discovery but also showcases the potency of AI-guided experimentation in unlocking transformative scientific breakthroughs with real-world applications.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Probing cosmic inflation with the LiteBIRD cosmic microwave background polarization survey

LiteBIRD, the Lite (Light) satellite for the study of B-mode polarization and Inflation from cosmic background Radiation Detection, is a space mission for primordial cosmology and fundamental physics. The Japan Aerospace Exploration Agency (JAXA) selected LiteBIRD in May 2019 as a strategic large-class (L-class) mission, with an expected launch in the late 2020s using JAXA’s H3 rocket. LiteBIRD is planned to orbit the Sun–Earth Lagrangian point L2, where it will map the cosmic microwave background polarization over the entire sky for three years, with three telescopes in 15 frequency bands between 34 and 448 GHz, to achieve an unprecedented total sensitivity of $2.2\, \mu$K-arcmin, with a typical angular resolution of 0.5° at 100 GHz. The primary scientific objective of LiteBIRD is to search for the signal from cosmic inflation, either making a discovery or ruling out well-motivated inflationary models. The measurements of LiteBIRD will also provide us with insight into the quantum nature of gravity and other new physics beyond the standard models of particle physics and cosmology. We provide an overview of the LiteBIRD project, including scientific objectives, mission and system requirements, operation concept, spacecraft and payload module design, expected scientific outcomes, potential design extensions, and synergies with other projects.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

ToF-SIMS in material research: A view from nanoscale hydrogen detection

Hydrogen in materials has attracted tremendous interest as its incorporation leads to significant alterations in nanoscale structure, composition, and chemistry, impacting functional properties. It has also been integral to nuclear fusion reactors and is considered a future clean energy source. However, nanoscale characterization and manipulation of hydrogen in materials are challenging as only a selected few analytical techniques can readily detect hydrogen, among which time-of-flight secondary ion mass spectrometry (ToF-SIMS) is a unique and powerful one due to its excellent detection limit along with decent depth and lateral resolutions. Here, in this review, we discuss, using selected examples, how to detect and quantify hydrogen in materials by ToF-SIMS and its impact on revealing the hydrogenation/protonation-induced novel functional states in different classes of materials. In addition, we present our protocols on sample preparation and experimental conditions optimization, allowing us to achieve the best possible results. Finally, we highlight future research directions that can lead to the discovery of novel functional states and ultimately provide a deeper understanding of scientific questions in materials science.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Editorial: Viruses, Genetic Exchange, and the Tree of Life

We live in exciting times for microbiology research. The significant technological and scientific advancements in the past decades have now enabled scientists to pursue discovery and description of novel microbial and viral linages from previously uncharted Earth habitats. Two such discoveries are particularly exciting and noteworthy in this regard. First, the discovery of the first ‘giant virus’, Acanthamoeba polyphaga mimivirus, in 2003, and several others thereafter, posed intriguing questions regarding virus origins, evolution, classification, and their place in the ‘tree of life’. Second, the discoveries of ‘Lokiarchaeota’ and several other closelyrelated archaeal members that encode several eukaryote-specific proteins challenged the threedomain canonical structure of the tree of life. These discoveries have reopened debates on central questions in evolutionary biology research such as the origin of viruses, the origin of eukaryotes, evolutionary relationship between Archaea and Eukarya, and the structure and topology of the tree of life. In this Research Topic, we received a broad range of contributions addressing these and other related questions.

59 BASIC BIOLOGICAL SCIENCES↗