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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 901 records · Page 50
All sourcesNASA NTRSDOE OSTI
NASA NTRS2007

Deep Dielectric Charging of Spacecraft Polymers by Energetic Protons

The majority of research in the field of spacecraft charging concentrates on electron charging effects with little discussion of charging by protons. For spacecraft orbiting in the traditional LEO and GEO environments this emphasis on electrons is appropriate since energetic electrons are the dominant species in those orbits. But for spacecraft in orbits within the inner radiation belts or for interplanetary and lunar space probes, proton charging (center dot) effects may also be of concern. To examine bulk spacecraft charging effects in these environments several typical highly insulating spacecraft polymers were exposed to energetic protons (center dot) with energies from 1 Me V to lO Me V to simulate protons from the solar wind and from solar energetic proton events. Results indicate that effects in proton charged dielectrics are distinctly different than those observed due to electron charging. In most cases, the positive surface potential continued to increase for periods on the order of minutes to a day, followed by long time scale decay at rates similar to those observed for electron charging. All samples charged to positive potentials with substantially lower magnitudes than for equivalent electron doses. Possible explanations for the different behavior of the measured surface potentials from proton irradiation are discussed; these are related to the evolving internal charge distribution from energy dependent electron and proton transport, electron emission, charge migration due to dark current and radiation induced conductivity, and electron capture by embedded protons.

radiation induced conductivity↗
NASA NTRS2008

A Closer Look at Solar Wind Sputtering of Lunar Surface Materials

Solar-wind induced potential sputtering of the lunar surface may be a more efficient erosive mechanism than the "standard" kinetic (or physical) sputtering. This is partly based on new but limited laboratory measurements which show marked enhancements in the sputter yields of slow-moving, highly-charged ions impacting oxides. The enhancements seen in the laboratory can be orders of magnitude for some surfaces and highly charged incident ions, but seem to depend very sensitively on the properties of the impacted surface in addition to the fluence, energy and charge of the impacting ion. For oxides, potential sputtering yields are markedly enhanced and sputtered species, especially hydrogen and light ions, show marked dependence on both charge and dose.

Barghouty, A. F.↗
DOE OSTI2024

A Deep Learning-Driven Sampling Technique to Explore the Phase Space of an RNA Stem-Loop

The folding and unfolding of RNA stem-loops are critical biological processes; however, their computational studies are often hampered by the ruggedness of their folding landscape, necessitating long simulation times at the atomistic scale. Here, we adapted DeepDriveMD (DDMD), an advanced deep learning-driven sampling technique originally developed for protein folding, to address the challenges of RNA stem-loop folding. Although tempering- and order parameter-based techniques are commonly used for similar rare-event problems, the computational costs or the need for a priori knowledge about the system often present a challenge in their effective use. DDMD overcomes these challenges by adaptively learning from an ensemble of running MD simulations using generic contact maps as the raw input. DeepDriveMD enables on-the-fly learning of a low-dimensional latent representation and guides the simulation toward the undersampled regions while optimizing the resources to explore the relevant parts of the phase space. We showed that DDMD estimates the free energy landscape of the RNA stem-loop reasonably well at room temperature. Our simulation framework runs at a constant temperature without external biasing potential, hence preserving the information on transition rates, with a computational cost much lower than that of the simulations performed with external biasing potentials. Here, we also introduced a reweighting strategy for obtaining unbiased free energy surfaces and presented a qualitative analysis of the latent space. This analysis showed that the latent space captures the relevant slow degrees of freedom for the RNA folding problem of interest. Finally, throughout the manuscript, we outlined how different parameters are selected and optimized to adapt DDMD for this system. We believe this compendium of decision-making processes will help new users adapt this technique for the rare-event sampling problems of their interest.

Gupta, Ayush↗
DOE OSTI2024

Estimation of Surface Sensible Heat Flux due to Precipitation over CONUS and Its Impact on Urban Extreme Precipitation Modeling

The surface sensible heat flux induced by precipitation (Q P ) is a consequence of the temperature difference between the surface and the rain droplets. Despite its seemingly negligible nature, Q P is frequently omitted from both meteorological and climatological models. Nevertheless, it is important to acknowledge the numerous occasions in which the instantaneous values of Q P can be significant, particularly during extreme precipitation events. This study undertakes a comprehensive assessment of Q P across the contiguous United States (CONUS) utilizing high-resolution reanalysis, observational data, and numerical modeling to examine the influence of Q P on precipitation and the surface energy budget. The findings indicate that the spatial distribution of Q P climatology is analogous to that of precipitation, with magnitudes ranging from 2 to 3 W m -2 predominantly over the Midwest and Southeast regions. A seasonal analysis of QP reveals that the highest values occurring during the June–August (JJA) period, averaging 3.18 W m -2 . Peak Q P values of approximately 4 W m -2 are observed during JJA over the Great Plains region. We hypothesize that the Q P during an extreme precipitation event would be nonnegligible and have a significant impact on the local weather. To test this conjecture, we perform high-resolution simulations with and without Q P during an extreme precipitation event over the Chicago Metropolitan Area (CMA). The results show that the Q P may be a dominant factor compared to other components of surface heat flux during the zenith of precipitation hours. Also, Q P has the potential to not only diminish precipitation but also alter and reconfigure the remaining surface energy budget components.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1973

Density and stress distribution in the moon.

A model is presented for the lateral variations of density within the moon. The model gives rise to a gravitational potential which is equal to the observed potential at the lunar surface; moreover, it minimizes the total shear-strain energy of the moon. The model exhibits lateral variations of about plus or minus 0.25 g/cc within 50 km depth. The variations, however, reduce to plus or minus 0.06 and plus or minus 0.008 g/cc within layers at 50 to 135 and 135 to 235 km respectively, and they become negligible below this region. The associated stress differences are found to be about 50 bar within 600 km depth, having their maximum values of about 90 bars at a depth of about 250 km. On the basis of these stress differences a strength of about 100 bar is concluded for the upper 400 km of the lunar interior for the last 3.3 b.y.

Arkani-Hamed, J.↗
NASA NTRS1976

The Lewis Research Center geomagnetic substorm simulation facility

A simulation facility was established at the NASA-Lewis Research Center to determine the response of typical spacecraft materials to the geomagnetic substorm environment and to evaluate instrumentation that will be used to monitor spacecraft system response to this environment. Space environment conditions simulated included the thermal-vacuum conditions of space, solar simulation, geomagnetic substorm electron fluxes and energies, and the low energy plasma environment. Measurements for spacecraft material tests included sample currents, sample surface potentials, and the cumulative number of discharges. Discharge transients were measured by means of current probes and oscilloscopes and were verified by a photomultiplier.

Berkopec, F. D.↗
NASA NTRS1977

The Lewis Research Center geomagnetic substorm simulation facility

A simulation facility was established to determine the response of typical spacecraft materials to the geomagnetic substorm environment and to evaluate instrumentation that will be used to monitor spacecraft system response to this environment. Space environment conditions simulated include the thermal-vacuum conditions of space, solar simulation, geomagnetic substorm electron fluxes and energies, and the low energy plasma environment. Measurements for spacecraft material tests include sample currents, sample surface potentials, and the cumulative number of discharges. Discharge transients are measured by means of current probes and oscilloscopes and are verified by a photomultiplier. Details of this facility and typical operating procedures are presented.

Berkopec, F. D.↗
NASA NTRS1983

Rate processes in gas phase

Reaction-rate theory and experiment are given a critical review from the engineers' point of view. Rates of heavy-particle, collision-induced reaction in gas phase are formulated in terms of the cross sections and activation energies for reaction. The effect of cross section function shape and of excited state contributions to reaction both cause the slope of Arrhenius plots to differ from the true activation energy, except at low temperature. The master equations for chemically reacting gases are introduced, and dissociation and ionization reactions are shown to proceed primarily from excited states about kT from the dissociation or ionization limit. Collision-induced vibration, vibration-rotation, and pure rotation transitions are treated, including three-dimensional effects and conservation of energy, which have usually been ignored. The quantum theory of transitions at potential surface crossing is derived, and results are found to be in fair agreement with experiment in spite of some questionable approximations involved.

Hansen, C. F.↗
NASA NTRS2001

Advances in Land Data Assimilation Systems

Assimilation of remotely sensed land surface observations into regional to global scale numerical models have the potential to significantly advance our ability, to assess, understand, and predict surface water, energy, and carbon cycles. This session seeks to assess the state-of-the-art in data assimilation methods for integrating land surface remote sensing and modeling, with a focus on practical applications and techniques. Assimilated land surface variables of interest include (but are not limited to, soil moisture, surface temperature, snowpack, streamflow, vegetation dynamics, and carbon storage. Contributions describing the development of practical land surface data assimilation methods, multivariate land surface data assimilation strategies, evaluation of the required accuracy and resolution of remote sensing observations, the effects of scale, process complexity, and uncertainty on data assimilation, and the optimal treatment of model and observation errors are encouraged.

Houser, Paul R.↗
NASA NTRS1992

Tropical boundary layer equilibrium in the last ice age

A radiative-convective boundary layer model is used to assess the effect of changing sea surface temperature, pressure, wind speed, and the energy export from the tropics on the boundary layer equilibrium equivalent potential temperature. It remains difficult to reconcile the observations that during the last glacial maximum (18,000 yr BP) the snowline on the tropical mountains fell 950 m, while the tropical sea surface temperatures fell only 1-2 K.

Betts, Alan K.↗
NASA NTRSDate not supplied

TPSAS-NF1676L-31381-DND

- Accumulation of excess negative charge generates potential differences between spacecraft ground and space (frame potential), between two points on the spacecraft surface or within materials (differential potential) - An electrostatic discharge (ESD) results when electric fields associated with potential differences (E = -∇Φ) exceed the dielectric breakdown strength of materials allowing charge to flow in an arc - Magnitude of damage depends on energy available to an arc E = ½CV^2 - Charging to a potential V depends on electrical properties of materials - Surface and volume resistivity - Dielectric constant - Secondary and backscattered electron yields, photoemission yields - Dielectric breakdown strength

Joseph I. Minow↗
DOE OSTI2022

Tuning bandgap and energy stability of Organic-Inorganic halide perovskites through surface engineering

Organohalide perovskite with a variety of surface structures and morphologies have shown promising potential owing to the choice of the type of heterostructure dependent stability. We systematically investigate and discuss the impact of 2-dimensional molybdenum-disulphide (MoS 2 ), molybdenum-diselenide (MoSe 2 ), tungsten-disulphide (WS 2 ), tungsten-diselenide (WSe 2 ), boron-nitiride (BN) and graphene monolayers on bandgap and energy stability of organic–inorganic halide perovskites. We found that MAPbI 3 deposited on BN-ML shows room temperature stability (-25 meV ~ 300 K) with an optimal bandgap of ~ 1.68 eV. The calculated absorption coefficient also lies in the visible-light range with a maximum of 4.9 × 10 4 cm –1 achieved at 2.8 eV photon energy. Furthermore, on the basis of our calculations, we suggest that the encapsulation of an organic–inorganic halide perovskite monolayers by semiconducting monolayers potentially provides greater flexibility for tuning the energy stability and the bandgap.

36 MATERIALS SCIENCE↗
NASA NTRS1974

The peel test in experimental adhesive fracture mechanics

Several testing methods have been proposed for obtaining critical energy release rate or adhesive fracture energy in bond systems. These tests include blister, cone, lap shear, and peel tests. Peel tests have been used for many years to compare relative strengths of different adhesives, different surface preparation techniques, etc. The present work demonstrates the potential use of the peel test for obtaining adhesive fracture energy values.

Anderson, G. P.↗
NASA NTRS1999

Impact of Assimilating GOES-Derived Land Surface Variables into the PSU/NCAR MM5

Land surface processes are known to have a profound impact on the overlying atmosphere over a wide range of spatial and temporal scales. Many atmospheric numerical models include special parameterizations to improve the specification and partitioning of surface fluxes which are critical to the accurate prediction of warm season boundary layer behavior, organized mesoscale circulations, and convective precipitation. However, the added degrees of freedom resulting from the inclusion of vegetation and soil schemes require the specification of additional surface parameters such as vegetative resistances, green vegetation fraction, leaf area index, soil physical and hydraulic characteristics, and the vertical distribution of soil moisture. As satellite data have become more readily available in recent years, many investigations have attempted to use these new measurements to infer missing components of the surface energy budget. Sensitivity studies have shown land-skin temperature (LST) tendencies during the mid-morning hours are strongly sensitive to the surface moisture availability (a function of soil wetness and vegetation) and less sensitive to other parameters such as surface roughness. Based upon results from these and other studies, developed a simple technique that dynamically assimilates Geostationary Operational Environmental Satellite (GOES) derived land-surface products into the surface energy budget of a mesoscale model. The purpose of this paper is to demonstrate that assimilating the GOES satellite data has the potential to improve the representation of land surface characteristics within the model without prior knowledge of the land surface characteristics. The assimilation technique is presented in Section 2 and the numerical experiments are detailed in Section 3. Preliminary results and conclusions are presented in Sections 4 and 5, respectively.

Lapenta, William M.↗
NASA NTRS1969

Self-consistent many-electron theory of electron work functions and surface potential characteristics for selected metals

Electron work functions, surface potentials, and electron number density distributions and electric fields in the surface region of 26 metals were calculated from first principles within the free electron model. Calculation proceeded from an expression of the total energy as a functional of the electron number density, including exchange and correlation energies, as well as a first inhomogeneity term. The self-consistent solution was obtained via a variational procedure. Surface barriers were due principally to many-body effects; dipole barriers were small only for some alkali metals, becoming quite large for the transition metals. Surface energies were inadequately described by this model, which neglects atomistic effects. Reasonable results were obtained for electron work functions and surface potential characteristics, maximum electron densities varying by a factor of over 60.

Smith, J. R.↗
NASA NTRS1972

Direct observation of the lunar photoelectron layer.

The Charged-Particle Lunar Environment Experiment (CPLEE), a part of the Apollo 14 ALSEP, is an ion-electron spectrometer capable of measuring ions and electrons with energies between 40 eV and 50 keV. Accordingly, the instrument, with apertures 26 cm above the surface, has detected a layer of photoelectrons, or photoelectron gas above the sunlit lunar surface with energies ranging up to 200 eV. The experimental data for periods when the moon was in the earth's magnetotail for electron energies between 40 and 200 eV follows a defined power-law spectrum. The implications of this measurement are two-fold in that the lunar surface potential can be immediately determined to be at least 200 V, and a value of the photoelectron yield of the lunar surface material for photon energies above 40 eV may be computed.

Reasoner, D. L.↗
DOE OSTI2020

Spectrum of embrittling potencies and relation to properties of symmetric-tilt grain boundaries

Grain boundaries in metallic materials can exist in a wide range of stable and metastable structures. In addition, the properties of a grain boundary may be altered through solute segregation. In this work, we present a formulation that combines the spectrum of embrittling potencies associated with solute segregation with site-occupancy statistics. As a prototype problem, we illustrate the relation between segregation and embrittlement in the case of S segregation to grain boundaries in Ni. To obtain a population of site segregation energies, we perform molecular statics calculations on 378 different symmetric-tilt grain boundaries and their free surface equivalents, using an embedded-atom method interatomic potential developed specifically for studying embrittlement. Our results show that it is important to consider both the energies associated with embrittlement and the probability of occupancy to describe the general embrittling nature of a grain boundary. When analyzed in isolation, certain grain boundaries show large embrittling potencies; however, that effect is diminished when the probability of S segregation to that grain boundary is considered within a polycrystal. We propose a new quantity, the embrittling estimator, which not only categorizes grain boundaries as embrittling or strengthening, but also considers site occupancy probabilities, so that the embrittlement behavior of grain boundaries within a network of grain boundaries can be compared. Finally, we examine the relationship between embrittlement behavior and innate grain boundary properties, such as the free volume, and find statistical evidence that the complex nature of embrittlement cannot be explained by linear correlations with excess volumes or energies. Ultimately, this combined approach provides a theoretical tool to assist grain boundary engineering of metastable alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Nitrate Reduction Modeling under Acidic Conditions with Late Transition Metals

The electrochemical reduction of nitrate (NO 3 R) to ammonia is a bold yet conceivable way of producing ammonia using renewable electricity. However, serious challenges remain in finding optimal electrocatalysts for the process. An atomistic understanding of the surface energetics behind the NO 3 R is needed in order to design an efficient catalyst. Herein, we combine energetics from density functional theory and microkinetic modeling to demonstrate how surface descriptors can help simplify the search for efficient NO 3 R electrocatalysts. We illustrate the strong correlations between transition-state energetics and O* binding energies for adsorbed nitrate and nitrite on transition metals. For intermediates from NO* and beyond, we compare the benefits of using either the N* or H* binding energies to predict reduction onset potentials. These insights enable us to develop a simple microkinetic model that elucidates the surface coverages of intermediates and the product selectivity of NO 3 R across a range of potentials and transition metals. As a result, we show that the model adequately corroborates with quasi-steady-state rates observed experimentally.

ammonia↗