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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 865 records · Page 48
All sourcesNASA NTRSDOE OSTI
NASA NTRS1990

Measurement realities of current collection in dynamic space plasma environments

Theories which describe currents collected by conducting and non-conducting bodies immersed in plasmas have many of their concepts based upon the fundamentals of sheath-potential distributions and charged-particle behavior in superimposed electric and magnetic fields. Those current-collecting bodies (or electrodes) may be Langmuir probes, electric field detectors, aperture plates on ion mass spectrometers and retarding potential analyzers, or spacecraft and their rigid and tethered appendages. Often the models are incomplete in representing the conditions under which the current-voltage characteristics of the electrode and its system are to be measured. In such cases, the experimenter must carefully take into account magnetic field effects and particle anisotropies, perturbations caused by the current collection process itself and contamination on electrode surfaces, the complexities of non-Maxwellian plasma distributions, and the temporal variability of the local plasma density, temperature, composition and fields. This set of variables is by no means all-inclusive, but it represents a collection of circumstances guaranteed to accompany experiments involving energetic particle beams, plasma discharges, chemical releases, wave injection and various events of controlled and uncontrolled spacecraft charging. Here, an attempt is made to synopsize these diagnostic challenges and frame them within a perspective that focuses on the physics under investigation and the requirements on the parameters to be measured. Examples include laboratory and spaceborne applications, with specific interest in dynamic and unstable plasma environments.

Szuszczewicz, Edward P.↗
NASA NTRS1993

Simultaneous observations of solar MeV particles in a magnetic cloud and in the earth's northern tail lobe - Implications for the global field line topology of magnetic clouds and for the entry of solar particles into the magnetosphere during cloud passage

Simultaneous ISEE 3 and IMP 8 spacecraft observations of magnetic fields and flow anisotropies of solar energetic protons and electrons during the passage of an interplanetary magnetic cloud show various particle signature differences at the two spacecraft. These differences are interpretable in terms of the magnetic line topology of the cloud, the connectivity of the cloud field lines to the solar surface, and the interconnection between the magnetic fields of the magnetic clouds and of the earth. These observations are consistent with a magnetic cloud model in which these mesoscale configurations are curved magnetic flux ropes attached at both ends to the sun's surface, extending out to 1 AU.

Farrugia, C. J.↗
NASA NTRS1995

Characterization of the Minimum Energy Path for the Reaction of Singlet Methylene with N2: The Role of Singlet Methylene in Prompt NO

We report calculations of the minimum energy pathways connecting CH2 + N2 to diazomethane and diazirine, for the rearrangement of diazirine to diazomethane, for the dissociation of diazirine to HCN2+H, and of diazomethane to CH2N+N. The calculations use Complete Active Space Self-Consistent Field (CASSCF) derivative methods to characterize the stationary points and Internally Contracted Configuration Interaction (ICCI) to determine the energetics. The calculations suggest a potential new source of prompt NO from the reaction CH2 with N2 to give diazirine, and subsequent reaction of diazirine with hydrogen abstracters to form doublet HCN2, which leads to HCN+N(S-4) on the previously studied CH+N2 surface. The calculations also predict accurate 0 K heats of formation of 77.7 kcal/mol and 68.0 kcal/mol for diazirine and diazomethane, respectively.

Walch, Stephen P.↗
NASA NTRS1996

Thermal Model of the Promoted Combustion Test

Flammability of metals in high pressure, pure oxygen environments, such as rocket engine turbopumps, is commonly evaluated using the Promoted Combustion Test (PCT). The PCT emphasizes the ability of an ignited material to sustain combustion, as opposed to evaluating the sample's propensity to ignite in the first place. A common arrangement is a rod of the sample material hanging in a chamber in which a high pressure, pure oxygen environment is maintained. An igniter of some energetically combusting material is fixed to the bottom of the rod and fired. This initiates combustion, and the sample burns and melts at its bottom tip. A ball of molten material forms, and this ball detaches when it grows too large to be supported by surface tension with the rod. In materials which do not sustain combustion, the combustion then extinguishes. In materials which do sustain combustion, combustion re-initiates from molten residue left on the bottom of the rod, and the melt ball burns and grows until it detaches again. The purpose of this work is development of a PCT thermal simulation model, detailing phase change, melt detachment, and the several heat transfer modes. Combustion is modeled by a summary rate equation, whose parameters are identified by comparison to PCT results. The sensitivity of PCT results to various physical and geometrical parameters is evaluated. The identified combustion parameters may be used in design of new PCT arrangements, as might be used for flammability assessment in flow-dominated environments. The Haynes 214 nickel-based superalloy, whose PCT results are applied here, burns heterogeneously (fuel and oxidizer are of different phases; combustion takes place on the fuel surface). Heterogeneous combustion is not well understood. (In homogeneous combustion, the metal vaporizes, and combustion takes place in an analytically treatable cloud above the surface). Thermal modeling in heterogeneous combustion settings provides a means for linking test results more directly to detailed combustion mechanics, leading to improved data analysis, and improved understanding of heterogeneous combustion phenomena.

Jones, Peter D.↗
NASA NTRSDate not supplied

Impact of the May 2024 Gannon Storm on Low Earth Orbit Dosimetric Quantities: Comparisons of the NAIRAS Model -Real Time and Re-analysis- with ISS Data

The solar storm of May 2024, the Gannon storm, led to a display of aurora over the globe. One of the less known effects of that storm is on the radiation doses in low-Earth orbit: it first led to a Forbush decrease in dose rates and then to a Solar Energetic Particle (SEP) event that increased the total dose suffered near the international space station. The Nowcast of Aerospace Ionizing RAdiation System (NAIRAS) model predicts dosimetric and radiative flux quantities for assessing human radiation exposure levels and radiation effects on flight electronic systems from the surface of the Earth to deep space. It runs in near-real-time at the CCMC, but also has a run-on-request that allows for a more precise computation thanks to carefully processed data. NAIRAS was able to compute the effects of the Gannon storm at the ISS in real-time and provide ideas of the doses encountered by the astronauts and the experiments in and outside of the station. In this work, we show the simulations of the doses encountered during the storm and compare them with several measurements at the ISS. This work shows the capabilities of NAIRAS to address the problem of the SEP events at low Earth orbit and its real-time capabilities.

Guillaume Gronoff↗
NASA NTRS2009

The Lunar Regolith

A thick layer of regolith, fragmental and unconsolidated rock material, covers the entire lunar surface. This layer is the result of the continuous impact of meteoroids large and small and the steady bombardment of charged particles from the sun and stars. The regolith is generally about 4-5 m thick in mare regions and 10-15 m in highland areas (McKay et al., 1991) and contains all sizes of material from large boulders to sub-micron dust particles. Below the regolith is a region of large blocks of material, large-scale ejecta and brecciated bedrock, often referred to as the "megaregolith". Lunar soil is a term often used interchangeably with regolith, however, soil is defined as the subcentimeter fraction of the regolith (in practice though, soil generally refers to the submillimeter fraction of the regolith). Lunar dust has been defined in many ways by different researchers, but generally refers to only the very finest fractions of the soil, less than approx.10 or 20 microns. Lunar soil can be a misleading term, as lunar "soil" bears little in common with terrestrial soils. Lunar soil contains no organic matter and is not formed through biologic or chemical means as terrestrial soils are, but strictly through mechanical comminution from meteoroids and interaction with the solar wind and other energetic particles. Lunar soils are also not exposed to the wind and water that shapes the Earth. As a consequence, in contrast to terrestrial soils, lunar soils are not sorted in any way, by size, shape, or chemistry. Finally, without wind and water to wear down the edges, lunar soil grains tend to be sharp with fresh fractured surfaces.

Noble, Sarah↗
NASA NTRS1994

Accurate Energetics for the Unimolecular Decomposition of HN2

We report internally contracted configuration interaction (ICCI) calculations along the constrained energy minimum (CEM) path for the addition of H to N2 with both CC-pVQZ and augmented CC-pVQZ basis sets. The results agree to within 0.5 kcal/mol with the larger basis set results of Walch, which were used to calibrate the HN2 potential energy surface used by Koizumi, Schatz, and Walch in coupled channel calculations to determine the lifetimes for unimolecular decay of the lowest vibrational levels of HN2. These small changes in the potential energy surface should have no significant effect on the computed lifetimes.

Walch, Stephen P.↗
NASA NTRS2011

Limits to Mercury's Magnesium Exosphere from MESSENGER Second Flyby Observations

The discovery measurements of Mercury's exospheric magnesium, obtained by the MErcury Surface. Space ENvironment, GEochemistry. and Ranging (MESSENGER) probe during its second Mercury flyby, are modeled to constrain the source and loss processes for this neutral species. Fits to a Chamberlain exosphere reveal that at least two source temperatures are required to reconcile the distribution of magnesium measured far from and near the planet: a hot ejection process at the equivalent temperature of several tens of thousands of degrees K, and a competing, cooler source at temperatures as low as 400 K. For the energetic component, our models indicate that the column abundance that can be attributed to sputtering under constant southward interplanetary magnetic field (IMF) conditions is at least a factor of five less than the rate dictated by the measurements, Although highly uncertain, this result suggests that another energetic process, such as the rapid dissociation of exospheric MgO, may be the main source of the distant neutral component. If meteoroid and micrometeoroid impacts eject mainly molecules, the total amount of magnesium at altitudes exceeding approximately 100 km is found to be consistent with predictions by impact vaporization models for molecule lifetimes of no more than two minutes. Though a sharp increase in emission observed near the dawn terminator region can be reproduced if a single meteoroid enhanced the impact vapor at equatorial dawn, it is much more likely that observations in this region, which probe heights increasingly near the surface, indicate a reservoir of volatile Mg being acted upon by lower-energy source processes.

Sarantos, Menelaos↗
DOE OSTI2024

Surface anchoring requirements for vanadia clusters on titanium oxide surfaces and their impact on activity for oxidative dehydrogenation of ethanol

Titanium oxide site requirements for the anchoring of catalytically active forms of dispersed vanadia species are investigated. Using a series of oxygen-modified titanium nitride materials, we systematically modify the available vanadia-anchoring moieties on the titanium-bearing support surface. This strategy in turn results in a very narrow size distribution of well-dispersed vanadia clusters anchored on the support. This synthesis technique ensures that only highly dispersed vanadia is present on the catalyst surface even at nominal monolayer coverages. A deeper insight into the catalytic behavior for ethanol partial oxidation of the active vanadia species is obtained by comparing intrinsic kinetic and thermodynamic parameters of kinetically relevant reaction steps (heat of ethanol adsorption, hydrogen abstraction activation energy, and the energetics of catalyst reoxidation). In conclusion, it is found that these parameters are dependent on the relative amount of oxygen in the titanium-bearing support and the resulting distribution of vanadia species, which validates the premise of a potential participation of lattice oxygen atoms of the titania support into the catalytic activity of active vanadia species.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Metastable Clusters and Competitive Solvation Tune Ion Pairing at Liquid Interfaces

The balance of hydrophobic and hydrophilic interactions underlies emergent phenomena in complex multicomponent chemical systems. Here, we show that a supposedly ‘non–interacting’ nonpolar phase can be used to competitively solvate amphiphilic molecules at an oil/aqueous interface. This solvation, as probed by surface specific nonlinear spectroscopy and simulations, results in a molecularly thin corrugated phase boundary featuring metastable assemblies that alter the hydrogen bonding networks of water and the apparent ‘hard/soft’ descriptors used to describe ionic interactions. We show that competitive solvation enhances amphiphile mobility, opening up otherwise energetically inaccessible complexes that transiently interact with aqueous phase ions. These transient species impact ensemble binding affinities and may represent the molecular agents responsible for aspects of ionic transport and function. In conclusion, the result of this work highlights how seemingly unrelated nonpolar interactions feedback onto aqueous phase chemical phenomena, providing a pathway to tune phase separation and self-assembly to access new reaction pathways using interfaces for a range of chemical and biological systems.

Anions↗
DOE OSTI2023

Dual domain recognition determines SARS-CoV-2 PLpro selectivity for human ISG15 and K48-linked di-ubiquitin

The Papain-like protease (PLpro) is a domain of a multi-functional, non-structural protein 3 of coronaviruses. PLpro cleaves viral polyproteins and posttranslational conjugates with poly-ubiquitin and protective ISG15, composed of two ubiquitin-like (UBL) domains. Across coronaviruses, PLpro showed divergent selectivity for recognition and cleavage of posttranslational conjugates despite sequence conservation. We show that SARS-CoV-2 PLpro binds human ISG15 and K48-linked di-ubiquitin (K48-Ub 2 ) with nanomolar affinity and detect alternate weaker-binding modes. Crystal structures of untethered PLpro complexes with ISG15 and K48-Ub 2 combined with solution NMR and cross-linking mass spectrometry revealed how the two domains of ISG15 or K48-Ub 2 are differently utilized in interactions with PLpro. Analysis of protein interface energetics predicted differential binding stabilities of the two UBL/Ub domains that were validated experimentally. We emphasize how substrate recognition can be tuned to cleave specifically ISG15 or K48-Ub 2 modifications while retaining capacity to cleave mono-Ub conjugates. These results highlight alternative druggable surfaces that would inhibit PLpro function.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2026

Interpretable Deep Learning for Advancing Field-Enhanced Catalysis

This DOE Early Career project developed a physics-informed, interpretable AI-and-modeling framework to understand and exploit electric-field effects in heterogeneous catalysis, with ammonia cracking and synthesis as a representative pathway. The team built and validated methods to map local electric fields on metal surfaces and nanoparticles, showing that low-coordination features (tips/edges/corners) can concentrate fields by several-fold relative to flat facets. Using DFT-generated datasets, the project created physics-guided machine learning models that rapidly predict local electric fields and field-dependent adsorption energetics with near-DFT accuracy while reducing computational cost by orders of magnitude. These predictions were integrated with microkinetic modeling to quantify how field-dipole interactions reshape reaction energetics and mechanisms, enabling large increases in predicted catalytic rates and substantial reductions in operating temperature under favorable field conditions. To accelerate discovery of earth-abundant catalysts, the project combined interpretable ML screening (with electronic-structure descriptors identified as key drivers) with a generative inverse-design workflow based on diffusion models and physics constraints. The resulting closed-loop approach, linking simulation, mechanistic modeling, and AI, provides reusable tools and datasets for designing catalysts and operating conditions in field-enhanced catalysis, with broad relevance to electrostatic catalysis, plasma catalysis, electrocatalysis, and other energy-related chemical transformations.

30 DIRECT ENERGY CONVERSION↗
NASA NTRS1987

A two-dimensional radial outflow model of plasma at Jupiter

An analytic solution illustrating the behavior of incompressible irrotational plasma outflow in two dimensions is given for application to the Jovian magnetosphere. Plasma is assumed to emanate from the Alfven surface and is channeled downtail by the confining magnetopause surface. Conformal transformation methods are used to map this complex magnetotail geometry into a rectangular box for which the solution to Laplace's equation is expressed in simple form. The model suggests that a dipole layer is formed on the dawn side in the vicinity of the Alfven surface where the flow bifurcates into clockwise and counterclockwise motion. An electric field discontinuity of this type fixed in local time may be able to account for several anomalous spin-periodic phenomena, namely, the modulation of Io-independent radio emissions and the injection of energetic electrons into interplanetary space.

Barbosa, D. D.↗
NASA NTRS1992

Impact-generated winds on Venus: Causes and effects

The pressure of the dense atmosphere of Venus significantly changes the appearance of ejecta deposits relative to craters on the Moon and Mercury. Conversely, specific styles and sequences of ejecta emplacement can be inferred to represent different intensities of atmospheric response winds acting over different timescales. Three characteristic timescales can be inferred from the geologic record: surface scouring and impactor-controlled (angle and direction) initiation of the long fluidized run-out flows; nonballistic emplacement of inner, radar-bright ejecta facies and radar-dark outer facies; and very late reworking of surface materials. These three timescales roughly correspond to processes observed in laboratory experiments that can be scaled to conditions on Venus (with appropriate assumptions): coupling between the atmosphere and earlytime vapor/melt (target and impactor) that produces an intense shock that subsequently evolves into blast/response winds; less energetic dynamic response of the atmosphere to the outward-moving ballistic ejecta curtain that generates nonthermal turbulent eddies; and late recovery of the atmosphere to impact-generated thermal and pressure gradients expressed as low-energy but long-lived winds. These different timescales and processes can be viewed as the atmosphere equivalent of shock melting, material motion, and far-field seismic response in the target. The three processes (early Processes, Atmospheric Processes, and Late Recovery Winds) are discussed at length.

Schultz, Pater H.↗
NASA NTRS1991

The role of valence-band excitation in laser ablation of KCl

We present recent measurements of excited-atom and ion emission from KCl surfaces illuminated by vacuum-ultraviolet synchrotron radiation (h-nu = 8-28 eV) and ultraviolet laser light (h-nu = 4 eV). At low intensities characteristic of the synchrotron experiments, excited atoms are desorbed by simple valence-band excitation process involving the metallization of the KCl surface. At the higher intensities typical of laser desorption and ablation, we observe a strong decrease in K emission as a function of the number of laser shots, but an essentially constant yield of Cl. K(+) and Cl(-) emission at high intensities show similar behavior. The energetics of these desorption phenomena can be treated in a bond-orbital model which shows that creation of a single valence hole is sufficient to excite an ion to an anti-bonding state.

Haglund, Richard F., Jr.↗
NASA NTRS2017

Spacecraft Charging Considerations and Design Efforts for the Orion Crew Module

The Orion Crew Module (CM) is nearing completion for the next flight, designated as Exploration Mission 1 (EM-1). For the uncrewed mission, the flight path will take the CM through a Perigee Raise Maneuver (PRM) out to an altitude of approximately 1800 km, followed by a Trans-Lunar Injection burn, a pass through the Van Allen belts then out to the moon for a lunar flyby, a Distant Retrograde Insertion (DRI) burn, a Distant Retrograde Orbit (DRO), a Distant Retrograde Departure (DRD) burn, a second lunar flyby, an Earth Insertion (EI) burn, and finally entry and landing. All of this, with the exception of the DRO associated maneuvers, is similar to the previous Apollo 8 mission in late 1968. In recent discussions, it is now possible that EM-1 will be a crewed mission, and if this happens, the orbit may be quite different from that just described. In this case, the flight path may take the CM on an out and back pass through the Van Allen belts twice, then out to the moon, again passing through the Van Allen belts twice, then finally back home. Even if the current EM-1 mission doesn't end up as a crewed mission, EM-2 and subsequent missions will undoubtedly follow orbital trajectories that offer comparable exposures to heightened vehicle charging effects. Because of this, and regardless of flight path, the CM vehicle will likely experience a wide range of exposures to energetic ions and electrons, essentially covering the gamut between low earth orbit to geosynchronous orbit and beyond. National Aeronautical and Space Administration (NASA) and Lockheed Martin (LM) engineers and scientists have been working to fully understand and characterize the vehicle's immunity level with regard to surface and deep dielectric charging, and the ramifications of that immunity level pertaining to materials and impacts to operational avionics, communications, and navigational systems. This presentation attempts to chronicle these efforts in a summary fashion, and attempts to capture the results of that work as they pertain to the electrical and avionic systems on-board the Orion CM.

Scully, Bob↗
NASA NTRS2024

Commercial Crew Program (CCP) Post-flight Reference Radiation Environments

The Nowcast of Aerospace Ionizing RAdiation System (NAIRAS) model version 3 is a coupled physics-based model that transports ionizing radiation through the heliosphere, Earth’s magnetosphere, the neutral atmosphere, and aircraft and spacecraft shielding. Ionizing radiation sources included in the model are: 1) galactic cosmic rays, 2) solar energetic particles including protons and heavy ions, and 3) the inner radiation belt trapped protons and electrons. NAIRAS predicts dosimetric quantities and differential and integral flux and fluence quantities for assessing human radiation exposure and single event effects in vehicle electronic systems from the Earth’s surface to the space environment.

Christopher J Mertens↗
NASA NTRS1990

Hypervelocity atmospheric flight: Real gas flow fields

Flight in the atmosphere is examined from the viewpoint of including real gas phenomena in the flow field about a vehicle flying at hypervelocity. That is to say, the flow field is subject not only to compressible phenomena, but is dominated by energetic phenomena. There are several significant features of such a flow field. Spatially, its composition can vary by both chemical and elemental species. The equations which describe the flow field include equations of state and mass, species, elemental, and electric charge continuity; momentum; and energy equations. These are nonlinear, coupled, partial differential equations that were reduced to a relatively compact set of equations of a self-consistent manner (which allows mass addition at the surface at a rate comparable to the free-stream mass flux). The equations and their inputs allow for transport of these quantities relative to the mass-averaged behavior of the flow field. Thus transport of mass by chemical, thermal, pressure, and forced diffusion; transport of momentum by viscosity; and transport of energy by conduction, chemical considerations, viscosity, and radiative transfer are included. The last of these complicate the set of equations by making the energy equation a partial integrodifferential equation. Each phenomenon is considered and represented mathematically by one or more developments. The coefficients which pertain are both thermodynamically and chemically dependent. Solutions of the equations are presented and discussed in considerable detail, with emphasis on severe energetic flow fields. For hypervelocity flight in low-density environments where gaseous reactions proceed at finite rates, chemical nonequilibrium is considered and some illustrations are presented. Finally, flight where the flow field may be out of equilibrium, both chemically and thermodynamically, is presented briefly.

Howe, John T.↗