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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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NASA NTRS1992

Radiation exposure predictions for long-duration-stay Mars missions

In this study, the ionizing radiation environment is estimated, using the Mission Radiation Calculation (MIRACAL) program, for several long-duration-stay Mars missions proposed for early in the 21st century. Both long-fast and minimum energy transfer missions are evaluated, and their 30-day maximum, annual maximum, and total slab skin and blood-forming organ (BFO) doses are compared. When large flares were included while the astronauts were on the surface, the delivered dose did not significantly contribute to the total dose (less than 4 cSv BFO dose, or 8 percent of the guideline annual limit, for the most energetic event simulated) due to the substantial protection provided by the Martian atmosphere. However, dose delivered by large flares during transit is dependent on vehicle shielding and distance from the sun. All of the long-fast transfer missions studied had lower total and annual maximum doses than the corresponding minimum energy transfer missions (on average, 30 percent less for missions having no large flares and the shielding thicknesses evaluated in this study). For all the missions studied, having the astronauts spend one-third of their day during transit in a 10 g/sq cm storm shelter resulted in significantly lower total doses.

Striepe, Scott A.↗

NASA NTRS1993

The Stickney impact of Phobos - A dynamical model

The hypervelocity impact that excavated the Stickney crater on Phobos is numerically modeled in order to understand the effects this collision had on the interior and surface of Phobos. The model assumes homogeneity prior to impact based on Fujiwara's (1991) results. Constitutive relations for water ice and basalt are applied in tandem models. Fracture energetics is used to show that the impact itself is sufficient to cause the cracks observed on Phobos. It is further shown that the Stickney impact itself could not have created large voids; thus, the low density of Phobos must either be compositional in nature or else the result of porosity at a scale sufficiently small to avoid scattering the impact energy substantially.

Asphaug, E.↗

NASA NTRS1994

Radiation exposure predictions for long-duration-stay Mars missions

In this study, the ionizing radiation environment is estimated, using the Mission Radiation Calculation (MIRACAL) program, for several long-duration-stay Mars missions proposed for early in the 21(sup st) century. Both minimum energy and fast transfer missions are evaluated and their 30-day maximum, annual maximum, and total slab skin and blood-forming organ (BFO) doses are compared. When large flares were included while the astronauts were on the surface, the delivered dose did not significantly contribute to the total dose (less than 4 cSv BFO dose, or 8 percent of the guideline annual limit, for the most energetic event simulated) due to the substantial protection provided by the Martian atmosphere. However, dose delivered by large flares during transit is dependent on vehicle shielding and distance from the Sun. All of the fast transfer missions studied had lower total and annual maximum doses than the corresponding minimum energy transfer missions (on average, 30% less for missions having no large flares and the shielding thicknesses evaluated in this study). For all the missions studied, having the astronauts spend one-third of their day during transit in a 10 g/sq cm storm shelter resulted in an approximate 10% reduction in the total mission dose.

TOTAL SLAB SKIN↗

NASA NTRS2004

Upcoming and Future Missions in the Area of Infrared Astronomy: Spacecraft and Ground-based Observations

The IRIS instrument on the Voyager spacecrafts made major discoveries with regard to the giant planets, their moons and rings and paved the way for future infrared observations for planetary missions within our solar system. The CIRS instrument of Cassini with much greater spectral-spatial resolution and sensitivity than that provided by IRIS is now rapidly approaching the Saturnian system with orbit insertion on July 1, 2004, for which CIRS is expected to provide an order of magnitude advance beyond that provided by IRIS. The Mars program is also presently dominated by infrared observations in the near to mid-infrared spectral bands for missions such as Mars Global Surveyor and its TES instrument and Odyssey with its THEMIS instrument. In the case of Earth science we have such missions as TIMED, which makes infrared observations of the thermosphere using the SABER instrument. With the newly formed New Frontiers Program we have the opportunity for $650M missions such as Kuiper Belt-Pluto Explorer and Jupiter Polar Orbiter with Probes. Under the Flagship line, once per decade, we have the opportunity for $1B missions for which Europa is presently being considered; for this mission infrared measurements could look for hot spots within the maze of cracks and faults on Europa s surface. On Kuiper Belt- Pluto there is an imaging near-IR spectrometer called LEISA. Another mission on the horizon is Titan Orbiter Aerorover Mission (TOAM) for which there is planned a state-of-art version of CIRS called TIRS on the orbiter that will map out the atmospheric composition with unprecedented wavelength coverage and spectral-spatial resolution. This instrument will also provide temperature maps of the surface of Titan to look for hot spots where life may form. On the same mission there will be a descent imager on the Aerorover (i.e., balloon) similar to that provided by LEISA on the Pluto mission to provide compositional-topographical maps of Titan s surface. Other future mission will also be discussed. Improved thermal detectors could have important applications in solar physics, specifically in the detection of far-IR synchrotron emission from energetic electrons in solar flares. For infrared astronomy we have missions like SIRTF and JWST, which will cover the spectral range from near-IR to far-IR in the search and probing of both new and old planetary systems in our galaxy and the measurement of the most distant galaxies of our universe. SIRTF is scheduled to be launched in August 2003, while JWST will be launched next decade. Another mission is TPF, which will use interferometer techniques at infrared wavelengths to search for planetary systems beyond 2010. With regard to ground based telescopes we have, for example, the twin 10 meter Keck telescopes and the IRTF telescope at Mauna Kea. The Keck telescopes are presently using interferometer techniques. Over the next several decades there are plans for 50 meter to 200 meter telescopes providing near-IR to far-IR measurements with the eventual plan to combine all telescopes using interferometer techniques to provide unprecedented spectral-spatial resolution and sensitivity.

Sittler, E. C., Jr.↗

NASA NTRS2003

A Model Study of the Impact of Magnetic Field Reversal on Atmospheric Composition during Solar Proton Events

During a polarity transition of the Earth's magnetic field, the structure and strength of the field change significantly from their present values. This will alter the global pattern of charged particle precipitation into the atmosphere. Thus, particle precipitation is possible into regions that are at the moment effectively shielded by the Earth's magnetic field. A two-dimensional global fbHy coupled chemistry, radiation, and transport model of the atmosphere has been used to investigate how the increased particle precipitation affects the chemical composition of the middle and lower atmosphere. Ozone losses resulting from large energetic particle events are found to increase significantly, with resultant losses similar to those observed m the Antarctic ozone hole of the 1990s. This results in significant increases in surface UV-B radiation as well as changes in stratospheric temperature and circulation over a period of several months after large particle events.

Sinnhuber, Miaiam↗

DOE OSTI2020

Solvation at metal/water interfaces: An ab initio molecular dynamics benchmark of common computational approaches

Determining the influence of the solvent on electrochemical reaction energetics is a central challenge in our understanding of electrochemical interfaces. To date, it is unclear how well existing methods predict solvation energies at solid/liquid interfaces, since they cannot be assessed experimentally. Ab initio molecular dynamics (AIMD) simulations present a physically highly accurate, but also a very costly approach. In this work, we employ extensive AIMD simulations to benchmark solvation at charge-neutral metal/water interfaces against commonly applied continuum solvent models. We consider a variety of adsorbates including *CO, *CHO, *COH, *OCCHO, *OH, and *OOH on Cu, Au, and Pt facets solvated by water. The surfaces and adsorbates considered are relevant, among other reactions, to electrochemical CO 2 reduction and the oxygen redox reactions. We determine directional hydrogen bonds and steric water competition to be critical for a correct description of solvation at the metal/water interfaces. As a consequence, we find that the most frequently applied continuum solvation methods, which do not yet capture these properties, do not presently provide more accurate energetics over simulations in vacuum. We find most of the computed benchmark solvation energies to linearly scale with hydrogen bonding or competitive water adsorption, which strongly differ across surfaces. Furthermore, we determine solvation energies of adsorbates to be non-transferable between metal surfaces, in contrast to standard practice.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Precise stellarator quasi-symmetry can be achieved with electromagnetic coils

Magnetic fields with quasi-symmetry are known to provide good confinement of charged particles and plasmas, but the extent to which quasi-symmetry can be achieved in practice has remained an open question. Recent work [M. Landreman and E. Paul, Phys. Rev. Lett. 128, 035001, 2022] reports the discovery of toroidal magnetic fields that are quasi-symmetric to orders-of-magnitude higher precision than previously known fields. We show that these fields can be accurately produced using electromagnetic coils of only moderate engineering complexity, that is, coils that have low curvature and that are sufficiently separated from each other. Our results demonstrate that these new quasi-symmetric fields are relevant for applications requiring the confinement of energetic charged particles for long time scales, such as nuclear fusion. The coils’ length plays an important role for how well the quasi-symmetric fields can be approximated. For the longest coil set considered and a mean field strength of 1 T, the departure from quasi-symmetry is of the order of Earth’s magnetic field. Additionally, we find that magnetic surfaces extend far outside the plasma boundary used by Landreman and Paul, providing confinement far from the core. Simulations confirm that the magnetic fields generated by the new coils confine particles with high kinetic energy substantially longer than previously known coil configurations. In particular, when scaled to a reactor, the best found configuration loses only 0.04% of energetic particles born at midradius when following guiding center trajectories for 200 ms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2023

Intermetallics Based on Sodium Chalcogenides Promote Stable Electrodeposition–Electrodissolution of Sodium Metal Anodes

Sodiophilic micro-composite films of sodium-chalcogenide intermetallics (Na 2 Te and Na 2 S) and Cu particles are fabricated onto commercial copper foam current collectors (Na 2 Te@CF and Na 2 S@CF). For the first time a controllable capacity thermal infusion process is demonstrated. Enhanced wetting by the metal electrodeposition leads to state-of-the-art electrochemical performance. For example, Na 2 Te@CF-based half-cells demonstrate stable cycling at 6 mA cm -2 and 6 mAh cm -2 , corresponding to 54 µm of Na electrodeposited/electrodissolved by geometric area. Sodium metal batteries with Na 3 V 2 (PO 4 ) 3 cathodes are stable at 30C (7 mA cm -2 ) and for 10 000 cycles at 5C and 10C. Cross-sectional cryogenic focused ion beam (cryo-FIB) microscopy details deposited and remnant dissolved microstructures. Sodium metal electrodeposition onto Na 2 Te@CF is dense, smooth, and free of dendrites or pores. On unmodified copper foam, sodium grows in a filament-like manner, not requiring cycling to achieve this geometry. Substrate–metal interaction critically affects the metal–electrolyte interface, namely the thickness and morphology of the solid electrolyte interphase. Density functional theory and mesoscale simulations provide insight into support-adatom energetics, nucleation response, and early-stage morphological evolution. On Na 2 Te sodium atomic dispersion is thermodynamically more stable than isolated clusters, leading to conformal adatom coverage of the surface.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Advancing density functional tight-binding method for large organic molecules through equivariant neural networks

Semi-empirical quantum-mechanical (QM) methods have become valuable tools for studying complex (bio)molecular systems due to their balance between computational efficiency and accuracy. A key aspect of these methods is their parameterization, which not only governs the reliability of the results but also provides an opportunity to enhance their overall performance. In our previous work [J. Phys. Chem. Lett., 2021, 11, 16], we advanced the third-order semi-empirical density functional tight-binding (DFTB3) method for computing multiple properties of small molecules by developing the machine learning (ML) potential NN rep to bridge the gap between DFTB3 electronic components and those of the hybrid DFT-PBE0 functional. To overcome the limitations of NN rep , we introduce the EquiDTB framework, which leverages physics-inspired equivariant neural networks (NN) to parameterize scalable and transferable many-body Δ TB potentials, replacing the standard pairwise DFTB repulsive potential. This advancement extends the applicability of our ML-corrected DFTB approach to larger molecules and non-covalent systems (including only C, N, O, and H atoms), going beyond the chemical space represented in the training QM datasets. The enhanced performance of EquiDTB over the standard TB methods is demonstrated by the accurate computation of the atomic forces of S66x8 molecular dimers, as well as their interaction energies. Moreover, EquiDTB can be effectively employed to explore the potential energy surfaces of large and flexible drug-like molecules—for example, to determine the minimum energy path between isomers, analyze structural transitions during dynamical simulations, compute vibrational modes, and investigate energetic rankings. The performance for single molecules slightly decreases when the DFTB electronic energy is reduced to first-order but remains superior to standard TB methods. Our work thus demonstrates that an optimal integration of an equivariant NN with QM datasets can advance the DFTB method while maintaining high efficiency, paving the way for reliable (bio)molecular simulations.

Medrano Sandonas, Leonardo [Technische Universität↗

DOE OSTI2024

Nanofabrication and inspection of fuel capsules for inertial confinement fusion

3D nanofabrication via Two-Photon Polymerization (TPP) provides a unique capability of flexibly fabricating complex structures over 1D-3D dimensions and µm-cm scales with resolutions below 100 nm. In the past years, the Laser-Assisted Nano Engineering (LANE) Group at the University of Nebraska-Lincoln (UNL) has been working closely with the Laboratory of Laser Energetics (LLE) in developing practical TPP approaches to fabricating various target structures for Inertial Confinement Fusion (ICF). At the same time, fuel capsules for ICF experiments should be inspected for surface and wall-embedded defects. Plastics materials [e.g., for example polystyrene (PS)] are the common materials used to make fuel capsules. However, during their manufacturing, capsules usually contain defects (vacuoles) embedded inside the shell walls, which may distort the implosion processes and influence the ICF performance of the capsules. The size of vacuoles is usually in a range from 100 to 2000 nm. Coherent anti-Stokes Raman scattering (CARS) microscope offers the capabilities of inspecting and characterizing the capsule defects. Furthermore, cryo-CARS microscopy was developed to explore how fuel isotope distributed inside target when icing that could not be diagnosed before.

36 MATERIALS SCIENCE↗

NASA NTRS1979

A rocket-borne energy spectrometer using multiple solid-state detectors for particle identification

A rocket-borne experiment using energy spectrometers that allows particle identification by the use of multiple solid-state detectors is described. The instrumentation provides information regarding the energy spectrum, pitch-angle distribution, and the type of energetic particles present in the ionosphere. Particle identification was accomplished by considering detector loss mechanisms and their effects on various types of particles. Solid state detectors with gold and aluminum surfaces of several thicknesses were used. The ratios of measured energies for the various detectors were compared against known relationships during ground-based analysis. Pitch-angle information was obtained by using detectors with small geometrical factors mounted with several look angles. Particle flux was recorded as a function of rocket azimuth angle. By considering the rocket azimuth, the rocket precession, and the location of the detectors on the rocket, the pitched angle of the incident particles was derived.

Fries, K. L.↗

NASA NTRS1995

Defect characterization in ZnGeP2 by time-resolved photoluminescence

The native defect-related optical properties of ZnGeP2 are studied by steady-state and time-resolved photoluminescence. ZnGeP2 crystals grown from the vapor phase by high pressure physical vapor transport (HPVT) and from the melt by gradient freezing (GF) show a broad infrared emission with peak position at 1.2 eV with a decay time constant of a few micro-s and a faster recombination center peaked at 1.68 eV. The decay transient for the emission at 1.2 eV exhibits features of classical donor-acceptor recombination and is linked to close-pairs that are tentatively associated with germanium-on-zinc antisite donors and zinc vacancy acceptors. Higher energetic luminescence structures at 1.6eV and 1.7eV are revealed after annealing of the ZnGeP2 crystals and are associated with the formation zinc and phosphorous vacancies in the near surface region. ZnGeP2 crystals grown by HPVT from zinc and phosphorus supersaturated vapor compositions show additional emission structure at 1.8 eV and a sharp donor-acceptor emission at 1.778 eV that is related to the presence of additional donor states.

Dietz, N.↗

NASA NTRS2003

High Energy Emission From Millisecond Pulsars

Emission at X-ray and gamma-ray energies has been detected from millisecond pulsars, both isolated and in binary systems. Although these pulsars have low surface magnetic fields, their short periods allow them to have large magnetospheric potential drops, so that high-energy emission from these sources is not unexpected. In fact, several nearby energetic millisecond pulsars that have been detected in X-rays could easily have been detected in gamma-rays by EGRET, but they were not. The reason for this may lie in a high-energy spectrum that is very different in these sources from that of normal pulsars. Both polar cap and outer gap models predict a two-component spectrum, one component peaking in hard X-rays and the other peaking above 1 GeV, with a gap at EGRET peak sensitivity. I will discuss the models for high-energy emission from millisecond pulsars, highlighting the differences between polar cap and outer gap models in spectrum and geometry of the emission.

Harding, Alice K.↗

NASA NTRS2008

Optimization of Neutral Atom Imagers

The interactions between plasma structures and neutral atom populations in interplanetary space can be effectively studied with energetic neutral atom imagers. For neutral atoms with energies less than 1 keV, the most efficient detection method that preserves direction and energy information is conversion to negative ions on surfaces. We have examined a variety of surface materials and conversion geometries in order to identify the factors that determine conversion efficiency. For chemically and physically stable surfaces smoothness is of primary importance while properties such as work function have no obvious correlation to conversion efficiency. For the noble metals, tungsten, silicon, and graphite with comparable smoothness, conversion efficiency varies by a factor of two to three. We have also examined the way in which surface conversion efficiency varies with the angle of incidence of the neutral atom and have found that the highest efficiencies are obtained at angles of incidence greater then 80deg. The conversion efficiency of silicon, tungsten and graphite were examined most closely and the energy dependent variation of conversion efficiency measured over a range of incident angles. We have also developed methods for micromachining silicon in order to reduce the volume to surface area over that of a single flat surface and have been able to reduce volume to surface area ratios by up to a factor of 60. With smooth micro-machined surfaces of the optimum geometry, conversion efficiencies can be increased by an order of magnitude over instruments like LENA on the IMAGE spacecraft without increase the instruments mass or volume.

Shappirio, M.↗

NASA NTRS1994

Two-Dimensional Interdigitated Pixel Detector for Energetic Particle Spectrometers

This paper describes a type of cosmic ray detector suitable for the construction of a small, low power space-based instrument to detect the energy and isotope of energetic nuclei, such as those produced by solar flares. The detector is similar to previous types of silicon PIN detectors where the fully depleted body of the wafer comprises intrinsic region of the PIN structure. The novel aspect of this detector is that the one surface is divided into a two-dimensional array of pixels, and that the collected holes are divided between a row and a column collector in each pixel, yielding both dimensions of position information from this side of the detector.

cosmic↗

NASA NTRS1973

Origin of 'energetic' ions from laser-produced plasmas.

A fast-ion current peak, measured with an ion collector placed in the path of an expanding laser-produced plasma, was identified as carbon, nitrogen, and oxygen contaminants which originated from a tungsten target surface.

Ehler, W.↗

NASA NTRS1991

The engineering of a nuclear thermal landing and ascent vehicle utilizing indigenous Martian propellant

The following paper reports on a design study of a novel space transportation concept known as a 'NIMF' (Nuclear rocket using Indigenous Martian Fuel). The NIMF is a ballistic vehicle which obtains its propellant out of the Martian air by compression and liquefaction of atmospheric CO2. This propellant is subsequently used to generate rocket thrust at a specific impulse of 264 s by being heated to high temperature (2800 K) gas in the NIMFs' nuclear thermal rocket engines. The vehicle is designed to provide surface to orbit and surface to surface transportation, as well as housing, for a crew of three astronauts. It is capable of refueling itself for a flight to its maximum orbit in less than 50 days. The ballistic NIMF has a mass of 44.7 tonnes and, with the assumed 2800 K propellant temperature, is capable of attaining highly energetic (250 km by 34,000 km elliptical) orbits. This allows it to rendezvous with interplanetary transfer vehicles which are only very loosely bound into orbit around Mars. If a propellant temperature of 2000 K is assumed, then low Mars orbit can be attained; while if 3100 K is assumed, then the ballistic NIMF is capable of injecting itself onto a minimum energy transfer orbit to Earth in a direct ascent from the Martian surface.

Zubrin, Robert M.↗

NASA NTRS2024

A Distributed Simulation Framework Applied to Artemis Analysis, Studies, Integration, and Test

The National Aeronautics and Space Administration (NASA) established the Artemis Program, a series of missions to return humans to the Moon and explore further than before. To execute the Artemis missions, NASA is collaborating with commercial and international partners to create the necessary infrastructure and logistics plan that will establish a long term presence on the Moon ahead of exploring Mars. NASA and its partners are developing a collection of space and surface systems to support crewed missions to the lunar surface that will provide the mobility, habitation, logistics, and exploration support necessary for Artemis mission successes which includes robust scientific investigations. This paper details the design, capabilities, and uses of the Artemis Distributed Simulation (ADS) being developed by the NASA Exploration Systems Simulations (NExSyS) Team to support Artemis architecture studies. ADS utilizes international interoperability standards to connect a collection of independent vehicle and service simulations; these include but are not limited to elements such as rovers, landers, and habitation elements along with services like communications, environment, visualization, and data logging. ADS’s distributed nature allows for the complex aggregation of constituent Artemis elements; this includes efficient scenario modification with the addition or removal of individual simulations representing Artemis elements or services. This capability provides support for the rapid performance of various Artemis mission trade studies exploring alternate configurations. Currently, ADS uses NASA developed simulations for development and testing; however, through the use of international simulation interoperability standards, ADS provides an integration framework to incorporate dissimilar authoritative vendor simulations as Artemis systems mature and vendor simulations become available. Vendor simulations will be able to join ADS and interact with other Artemis elements and vehicles while limiting the exposure of proprietary data. This paper describes the expansion of an existing distributed simulation infrastructure to accommodate a collaborative and dynamic framework for the Artemis Program. This work includes updated federation designs, integration into existing NASA facilities, advancements in visualizations, and advancements in human driven inputs. This paper will also outline recently completed and ongoing support and collaboration with NASA studies and testing, namely results from energetics and Human-In-The-Loop (HITL) studies. The paper concludes with a plan for future developments and facility integration to enable enhanced studies in preparation for a return of humans to the lunar surface.

Artemis↗