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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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At least 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Codiscovering graphical structure and functional relationships within data: A Gaussian Process framework for connecting the dots

Most problems within and beyond the scientific domain can be framed into one of the following three levels of complexity of function approximation. Type 1: Approximate an unknown function given input/output data. Type 2: Consider a collection of variables and functions, some of which are unknown, indexed by the nodes and hyperedges of a hypergraph (a generalized graph where edges can connect more than two vertices). Given partial observations of the variables of the hypergraph (satisfying the functional dependencies imposed by its structure), approximate all the unobserved variables and unknown functions. Type 3: Expanding on Type 2, if the hypergraph structure itself is unknown, use partial observations of the variables of the hypergraph to discover its structure and approximate its unknown functions. These hypergraphs offer a natural platform for organizing, communicating, and processing computational knowledge. While most scientific problems can be framed as the data-driven discovery of unknown functions in a computational hypergraph whose structure is known (Type 2), many require the data-driven discovery of the structure (connectivity) of the hypergraph itself (Type 3). We introduce an interpretable Gaussian Process (GP) framework for such (Type 3) problems that does not require randomization of the data, access to or control over its sampling, or sparsity of the unknown functions in a known or learned basis. Its polynomial complexity, which contrasts sharply with the super-exponential complexity of causal inference methods, is enabled by the nonlinear ANOVA capabilities of GPs used as a sensing mechanism.

Science & Technology - Other Topics↗
NASA NTRS2009

The Art and Science of Systems Engineering

The National Aeronautics and Space Administration (NASA) was established in 1958, and its Marshall Space Flight Center was founded in 1960, as space-related work was transferred from the Army Ballistic Missile Agency at Redstone Arsenal, where Marshall is located. With this heritage, Marshall contributes almost 50 years of systems engineering experience with human-rated launch vehicles and scientific spacecraft to fulfill NASA's mission exploration and discovery. These complex, highly specialized systems have provided vital platforms for expanding the knowledge base about Earth, the solar system, and cosmos; developing new technologies that also benefit life on Earth; and opening new frontiers for America's strategic space goals. From Mercury and Gemini, to Apollo and the Space Shuttle, Marshall's systems engineering expertise is an unsurpassed foundational competency for NASA and the nation. Current assignments comprise managing Space Shuttle Propulsion systems; developing environmental control and life support systems and coordinating science operations on the International Space Station; and a number of exploration-related responsibilities. These include managing and performing science missions, such as the Lunar Crater Observation and Sensing Satellite and the Lunar Reconnaissance Orbiter slated to launch for the Moon in April 2009, to developing the Ares I crew launch vehicle upper stage and integrating the vehicle stack in house, as well as designing the Ares V cargo launch vehicle and contributing to the development of the Altair Lunar Lander and an International Lunar Network with communications nodes and other infrastructure.

Singer, Christopher E.↗
NASA NTRSDate not supplied

Model-Specific Metadata for Enhancing Space Science Models

The Space Weather and Heliophysics modeling community, supported by the Community Coordinated Modeling Center (CCMC, https://ccmc.gsfc.nasa.gov), provides a collaborative platform for space weather models and data. Flexible metadata is vital for advancing scientific research and fostering collaboration. Our work in expressing complex simulations of the Space Weather Modeling Framework (SWMF), particularly Global Magnetosphere (GM) grid components, in terms of simple metadata records shows great promise in creating searchable and reusable units of knowledge. Such records can be readily utilized to support the process of scientific discovery, closely aligning with the goals outlined in the Open Science initiative. Our primary goal is to show the scalability and benefits of metadata-focused methodologies. This presentation highlights the potential for applying metadata methodologies to other complex models, improving usability, supplying efficient documentation and fostering interdisciplinary research.

space weather↗
DOE OSTI2024

Rapid discovery and evolution of nanosensors containing fluorogenic amino acids

Binding-activated optical sensors are powerful tools for imaging, diagnostics, and biomolecular sensing. However, biosensor discovery is slow and requires tedious steps in rational design, screening, and characterization. Here we report on a platform that streamlines biosensor discovery and unlocks directed nanosensor evolution through genetically encodable fluorogenic amino acids (FgAAs). Building on the classical knowledge-based semisynthetic approach, we engineer ~15 kDa nanosensors that recognize specific proteins, peptides, and small molecules with up to 100-fold fluorescence increases and subsecond kinetics, allowing real-time and wash-free target sensing and live-cell bioimaging. An optimized genetic code expansion chemistry with FgAAs further enables rapid (~3 h) ribosomal nanosensor discovery via the cell-free translation of hundreds of candidates in parallel and directed nanosensor evolution with improved variant-specific sensitivities (up to ~250-fold) for SARS-CoV-2 antigens. Altogether, this platform could accelerate the discovery of fluorogenic nanosensors and pave the way to modify proteins with other non-standard functionalities for diverse applications.

Biosensors↗
NASA NTRS2011

Systems Engineering Using Heritage Spacecraft Technology: Lessons Learned from Discovery and New Frontiers Deep Space Missions

In the design and development of complex spacecraft missions, project teams frequently assume the use of advanced technology or heritage systems to enable a mission or reduce the overall mission risk and cost. As projects proceed through the development life cycle, increasingly detailed knowledge of the advanced or heritage systems and the system environment identifies unanticipated issues that result in cost overruns or schedule impacts. The Discovery & New Frontiers (D&NF) Program Office recently studied cost overruns and schedule delays resulting from advanced technology or heritage assumptions for 6 D&NF missions. The goal was to identify the underlying causes for the overruns and delays, and to develop practical mitigations to assist the D&NF projects in identifying potential risks and controlling the associated impacts to proposed mission costs and schedules. The study found that the cost and schedule growth did not result from technical hurdles requiring significant technology development. Instead, systems engineering processes did not identify critical issues early enough in the design cycle to ensure project schedules and estimated costs address the inherent risks. In general, the overruns were traceable to: inadequate understanding of the heritage system s behavior within the proposed spacecraft design and mission environment; an insufficient level of experience with the heritage system; or an inadequate scoping of the system-wide impacts necessary to implement the heritage or advanced technology. This presentation summarizes the study s findings and offers suggestions for improving the project s ability to identify and manage the risks inherent in the technology and heritage design solution.

Barley, Bryan↗
DOE OSTI2026

From Rules to Reasoning: A Survey of Large Language Model-Based Approaches to Scientific Hypothesis and Idea Generation

Scientific hypothesis generation represents a fundamental challenge in contemporary research due to exponentially expanding literature volumes and increasing disciplinary specialization. Large language models (LLMs) have emerged as transformative tools for automated scientific discovery, moving beyond traditional rule-based and literature-mining approaches. Four paradigmatic approaches define current LLM-driven hypothesis generation: direct prompting and fine-tuning methods, knowledge-enhanced frameworks integrating retrieval-augmented generation (RAG), multi-agent collaborative systems simulating research teams, and reasoning-focused approaches implementing cognitive architectures. Domain-specific applications demonstrate statistical equivalence to human expert performance in social psychology, experimental validation in biomedical research, and near-expert quality in astronomy. Evaluation methodologies encompass human expert assessment, LLM-as-judge frameworks, and comprehensive benchmarking systems. Technical challenges include hallucination management, knowledge integration limitations, and balancing novelty with feasibility. Future directions emphasize hybrid neural-symbolic architectures and sophisticated human-AI collaboration models for responsible scientific discovery acceleration.

AI-driven discovery↗
DOE OSTI2026

SmileyLlama: modifying large language models for directed chemical space exploration

Here we show that large language models (LLMs) can be transformed via supervised fine-tuning of engineered prompts into SmileyLlama for exploring the chemical space of drug molecules. We benchmark SmileyLlama against pretrained LLMs and chemical language models trained from scratch for generating valid and novel drug-like molecules, and use direct preference optimization to both improve SmileyLlama’s adherence to a prompt and as part of the iMiner reinforcement learning framework to predict molecules with optimized three-dimensional conformations and high binding affinity to drug targets. By training an LLM to speak directly as a chemical language model, while retaining most of its natural language capabilities, we show that SmileyLlama can reliably generate molecules with user-specified properties rather than acting only as a chatbot with knowledge of chemistry or as a virtual assistant. While SmileyLlama is geared toward drug discovery, the supervised fine-tuning/direct preference optimization/LLM framework can be extended to other chemical, biological and materials applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1994

Exobiology opportunities from Discovery-class missions

Discovery-class missions that are now planned, and those in the concept stage, have the potential to expand our knowledge of the origins and evolution of biogenic compounds, and ultimately, of the origins of life in the solar system. This class of missions, recently developed within NASA's Solar System Exploration Program, is designed to meet important scientific objectives within stringent guidelines--$150 million cap on development cost and a 3-year cap on the development schedule. The Discovery Program will effectively enable "faster, cheaper" missions to explore the inner solar system. The first two missions are Mars Environmental Survey (MESUR) Pathfinder and Near Earth Asteroid Rendezvous (NEAR). MESUR Pathfinder will be the first Discovery mission, with launch planned for November/December 1996. It will be primarily a technical demonstration and validation of the MESUR Program--a network of automated landers to study the internal structure, meteorology, and surface properties of Mars. Besides providing engineering data, Pathfinder will carry atmospheric instrumentation and imaging capabilities, and may deploy a microrover equipped with an alpha proton X-ray spectrometer to determine elemental composition, particularly the lighter elements of exobiological interest. NEAR is expected to be launched in 1998 and to rendezvous with a near-Earth asteroid for up to 1 year. During this time, the spacecraft will assess the asteroid's mass, size, density, map its surface topography and composition, determine its internal properties, and study its interaction with the interplanetary environment. A gamma ray or X-ray spectrometer will be used to determine elemental composition. An imaging spectrograph, with 0.35 to 2.5 micron spectral range, will be used to determine the asteroid's compositional disbribution. Of the 11 Discovery mission concepts that have been designated as warranting further study, several are promising in terms of determining the composition and chemical evolution of organic matter on small planetary bodies. The following mission concepts are of particular interest to the Exobiology Program: Cometary coma chemical composition, comet nucleus tour, near earth asteroid returned sample, small missions to asteroids and comets, and solar wind sample return. The following three Discovery mission concepts that have been targeted for further consideration are relevant to the study of the evolution of biogenic compounds: Comet nucleus penetrator, mainbelt asteroid rendezvous explorer, and the Mars polar Pathfinder.

Meyer, Michael A.↗
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↗
NASA NTRS1995

The anomalous nuclear component in the three-dimensional heliosphere

The anomalous nuclear component is neither of solar nor galactic cosmic ray origin. Its presence in the heliosphere is an independent probe for both interplanetary electrodynamical investigations--especially solar modulation--and probably the most direct means for determining the elemental and isotopic composition of those neutral atoms in the local interstellar medium that have high first ionization potentials (e.g., He, N, O, Ne, Ar, etc.). This report is a brief account of the evolution of our knowledge of this component for readers not specializing in the subject. Included are the initial discoveries of the component, its composition, spectra, heliospheric radial and latitudinal intensity gradients, modulation over the approximately 22 year solar magnetic cycle, trapping in the magnetosphere and its use for estimating the location of a heliospheric termination shock. Recent measurements from the ULYSSES spacecraft have provided conclusive evidence that incoming neutral atoms, after photoionization by solar uv, are picked up by the solar wind, thus lending support for the concept that after their acceleration--probably at a termination shock--they return to the inner heliosphere as pseudo-cosmic rays. ULYSSES spacecraft investigations extending to approximately 56 deg south latitude reveal, for both the anomalous nuclear component and the galactic cosmic rays, that there is a surprisingly small latitudinal intensity gradient. Thus, for the current phase of the solar cycle, modulation is much more spherically symmetric in the inner solar system than had generally been believed. A further surprise is the continual presence of approximately 26 day recurrent modulation at hight latitudes, without corresponding magnetic field compressions. These results are changing our ideas and requiring modification of our models for solar modulation in three dimensions.

Simpson, J. A.↗
NASA NTRS2011

A Radiation Hard Multi-Channel Digitizer ASIC for Operation in the Harsh Jovian Environment

In 1995, the Galileo spacecraft arrived at Jupiter to conduct follow-up experiments on pathfinder Pioneer and key Voyager discoveries especially at Io, Europa, Ganymede and Callisto. These new observations helped expand our scientific knowledge of the prominent Galilean satellites; studies revealed diversity with respect to their geology, internal structure, evolution and degree of past and present activity. Jupiter's diverse Galilean satellites, of which three are believed to harbor internal oceans, are central to understanding the habitability of icy worlds. Galileo provided for the first time compelling evidence of a near-surface global ocean on Europa. Furthermore, by understanding the Jupiter system and unraveling the history of its evolution from initial formation to the emergence of possible habitats and life, gives insight into how giant planets and their satellite systems form and evolve. Most important, new light is shed on the potential for the emergence and existence of life in icy satellite oceans. In 2009, NASA released a detailed Jupiter Europa Mission Study (EJSM) that proposed an ambitious Flagship Mission to understand more fully the satellites Europa and Ganymede within the context of the Jovian system. Key to EJSM is the NASA led Jupiter Europa Orbiter (JEO) and the ESA led Jupiter Ganymede Orbiter (JGO). JEO and JGO would execute a choreographed exploration of the Jovian system before settling into orbit around Europa and Ganymede, respectively. The National Academies Planetary Decadal Survey, 2011 has listed the NASA-led JEO as the second highest priority mission for the decade 2013-2022, and if chosen it would be launched in 2020 with arrival at Jupiter in 2025. If the JEO mission is not chosen it is anticipated that there will be opportunities in future decadal cycles. Jupiter Orbit Insertion (JOI) begins a 30-month Jovian system tour followed by nine months of science mapping after Europa Orbit Insertion (EOI) in July 2028. The orbiter will ultimately impact the surface of Europa after the mission is completed. The current JEO mission concept includes a range of instruments on the payload, to monitor dynamic phenomena (such as Io's volcanoes and Jupiters atmosphere), map the Jovian magnetosphere and its interactions with the Galilean satellites, and characterize water oceans beneath the ice shells of Europa and Ganymede. The payload includes a low mass (3.7 Kg) and low power (< 5 W) Thermal Instrument (TI) concept for measuring possible warm thermal anomalies on Europa s cold surface caused by recent (< 10,000 years) eruptive activity. Regions of anomalously high heat flow will be identified by thermal mapping using a nadir pointing, push-broom filter radiometer that provides far-IR imagery in two broad band spectral wavelength regions, 8-20 m and 20-100 m, for surface temperature measurements with better than a 2 K accuracy and a spatial resolution of 250 m/pixel obtained from a 100 Km orbit. The temperature accuracy permits a search for elevated temperatures when combined with albedo information. The spatial resolution is sufficient to resolve Europa's larger cracks and ridge axial valleys. In order to accomplish the thermal mapping, the TI uses sensitive thermopile arrays that are readout by a custom designed low-noise Multi-Channel Digitizer (MCD) ASIC that resides very close to the thermopile linear array outputs. Both the thermopile array and the MCD ASIC will need to show full functionality within the harsh Jovian radiation environment, operating at cryogenic temperatures, typically 150 K to 170 K. In the following, a radiation mitigation strategy together with a low risk Radiation-Hardened-By-Design (RHBD) methodology using commercial foundry processes is given for the design and manufacture of a MCD ASIC that will meet this challenge.

Aslam, Shahid↗
DOE OSTI2026

Conductivity Spectroscopy for Investigation and Discovery of Photovoltaic Materials

Conductivity spectroscopy is an extremely powerful set of methods for probing the properties of optoelectronic materials, especially photovoltaics, where photoconductivity is one of the best spectroscopic proxies for performance. Despite this power, they are substantially less commonly used than time-resolved photoluminescence (for instance) because they tend to be more expensive to implement (THz) and/or require specialized knowledge (GHz) to construct instruments, which are not widely available. The goal of this review is to illustrate the utility of these experiments in the discovery and study of photovoltaic absorber materials and simultaneously make them more accessible to the community by providing a central tutorial resource. We provide a comprehensive review of how conductivity spectroscopy has developed over the past decade and been applied in the discovery and development of photovoltaic materials, with a primary focus on emerging solution-processable technologies. Along the way we aim to demystify conductivity spectroscopy with focused tutorial sections that explain the physical models used to fit the data and illustrate how to think about “high-frequency conductivity”.

14 SOLAR ENERGY↗
NASA NTRS1979

Earth's magnetosphere - Global problems in magnetospheric plasma physics

Magnetospheric physics is presently in a transition from the exploratory stage to one in which satellite missions and ground-based observations are planned with the specific object of achieving a global understanding and self-consistent quantitative description of the cause-and-effect relationship among the principal dynamic processes involved. Measurements turn to lower and lower energies and to higher ion mass species, in order to encompass the entire particle population, and to a broader range of the frequency spectrum of magnetic and electric field variations. In the present paper, the current status of our knowledge on magnetospheric plasma physics is reviewed, with particular reference of such fundamental advances as the discovery of layers of streaming plasma in the magnetosphere beneath its boundary surface, the identification of the terrestrial magnetosphere as a celestial source of kilometric radiation and relativistic particles, the identification of parallel electric field regions within the magnetosphere and their role in auroral particle acceleration, and the discovery of large fluxes of energetic heavy ions trapped in the magnetosphere.

Roederer, J. G.↗
NASA NTRS1984

Orbital resonances among Saturn's satellites

When orbital properties constituted most of our knowledge of Saturn's satellites, resonances provided important clues to physical properties and history. With the discoveries of the 1980s, including close-up direct observations of physical and geological properties, resonances are more important than ever. This chapter reviews the kinetics of the various classes of resonances represented among the classical and newly discovered satellites and describes how resonances have played a fundamental role in shaping the Saturn system as it is seen today.

Greenberg, R.↗
NASA NTRS1985

Expert systems and their use in augmenting design optimization

The challenging requirements that are evolving for future aircraft demand that each design be optimally integrated, for the penalties imposed by nonoptimal performance are significant. Classic numerical optimization algorithms have been and will continue to be important tools for aircraft designers. These methods are, however, limited to certain categories of aircraft design variables, leaving the remainder to be determined by the user. A method that makes use of knowledge-based expert systems offers the potential for aiding the conceptual design process in a way that is similar to that of numerical optimization, except that it would address discrete, discontinuous, abstract, or any other unoptimized aspect of vehicle design and integration. Other unique capabilities such as automatic discovery and learning in design may also be achievable in the near term. This paper discusses current practice in conceptual aircraft design and knowledge-based systems, and how knowledge-based systems can be used in conceptual design.

Kidwell, G. H.↗
NASA NTRS1985

Study and Estimation of Planet-crossing Asteroid Populations: Discoveries and Analysis

The populations of the various classes of planet-crossing asteroids, based on the results of the systematic Planet-Crossing Asteroid Survey (PCAS) search program are evaluated. Knowledge of the populations is crucial to the stimation of lunar and terrestrial planet cratering rates from asteroidal and cometary sources needed to establish the chronology of other surface features on those bodies. A secondary objective is to identify the sources of these crater-forming objects and their relative importance in producing the observed planet-crossing asteroid population. Some key PCAS asteroid discoveries relevant to the population problem and the progress in using the available search data to update and refine earlier estimates of the planet-crossing asteroid population are described.

Helin, E. F.↗
NASA NTRS2019

Advanced Astrophysics Discovery Technology in the Era of Data Driven Astronomy

Astrophysics is at the threshold of a new epoch in which increasinglycomplex, heterogeneous datasets will challenge our existing information infrastructure and traditional approaches to analysis. The rapid advancement of graphics processing units, compact field programmable gate arrays and dedicated artificial intelligence accelerator chips is now permitting the use of scientific methods, processes and algorithms to extract knowledge and insights from structured and unstructured data in ways never before seen. Miniaturization of spacecraft architectures and supporting infrastructure is opening new observing strategies and new discovery spaces for science. The community is just beginning to awaken to these imminent challenges as evidenced by their relative lack of emphasis in the New Worlds, New Horizons ASTRO2010 decadal survey, in the ExoPAG Science Analysis Group 11 report andin the formulation of the WFIRST Data Challenge. We suggest that the Astrophysics Science Division (ASD), which has clearly recognized this new epoch of rapidly evolving information technology, could be more affirmative in its approach. We offer a modest structural solution.

Barry, Richard K.↗
DOE OSTI2024

Stairway to discovery: A report on the CMS programme of cross section measurements from millibarns to femtobarns

The Large Hadron Collider at CERN, delivering proton-proton collisions at much higher energies and far higher luminosities than previous machines, has enabled a comprehensive programme of measurements of the standard model (SM) processes by the CMS experiment. These unprecedented capabilities facilitate precise measurements of the properties of a wide array of processes, the most fundamental being cross sections. The discovery of the Higgs boson and the measurement of its mass became the keystone of the SM. Knowledge of the mass of the Higgs boson allows precision comparisons of the predictions of the SM with the corresponding measurements. These measurements span the range from one of the most copious SM processes, the total inelastic cross section for proton-proton interactions, to the rarest ones, such as Higgs boson pair production. They cover the production of Higgs bosons, top quarks, single and multibosons, and hadronic jets. Associated parameters, such as coupling constants, are also measured. These cross section measurements can be pictured as a descending stairway, on which the lowest steps represent the rarest processes allowed by the SM, some never seen before.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗