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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 1,081 records · Page 60
All sourcesNASA NTRSDOE OSTI
NASA NTRS2010

An Analysis of the Environments of Intense Convective Systems in West Africa in 2003

We investigated the local- and regional-scale thermodynamical and dynamical environments associated with intense convective systems in West Africa during 2003. We identified convective system cases from TRMM microwave imagery, classifying each case by the system minimum 85-GHz brightness temperature and by the estimated elapsed time of propagation from high terrain. The speed of the mid-level jet, the magnitude of the low-level shear, and the surface equivalent potential temperature (theta(sub e)) were greater for the intense cases compared to the non-intense cases, although the differences between the means tended to be small, less than 3K for surface theta(sub e). Hypothesis testing of a series of commonly used intensity prediction metrics resulted in significant results only for low-level metrics such as convective available potential energy and not for any of the mid- or upper-level metrics such as 700-hPa theta(sub e). None of the environmental variables or intensity metrics by themselves or in combination appeared to be reliable direct predictors of intensity. In the regional scale analysis, the majority of intense convective systems occurred in the surface baroclinic zone where surface theta(sub e) exceeded 344 K and the 700-hPa zonal wind speeds were less than -6/ms. Fewer intense cases compared to non-intense cases were associated with African easterly wave troughs. Fewer than 25% of our cases occurred in environments with detectable Saharan dust loads, and the results for intense and non-intense cases were similar. Our results for the regional analysis were consistent with the seasonal movement of the WAM and the intertropical front, regional differences in topography, and AEW energetics.

Nicholls, Stephen D.↗
DOE OSTI2020

Gel‐Derived Amorphous Bismuth–Nickel Alloy Promotes Electrocatalytic Nitrogen Fixation via Optimizing Nitrogen Adsorption and Activation

Abstract To achieve the electrochemical nitrogen reduction reaction (NRR) for efficient and sustainable NH 3 production, catalysts should exhibit high selectivity and activity with optimal adsorption energy. Herein we developed a three‐dimensional (3D) amorphous BiNi alloy toward a significantly enhanced NRR compared with its crystalline and metal counterparts. Ni alloying enables the chemisorption of nitrogen and the lower free‐energy change for the *NNH formation, and the 3D alloy electrocatalyst exhibits high catalytic activity for NH 3 production with a yield rate of 17.5 μg h −1 mg cat −1 and Faradaic efficiency of 13.8 %. The enhanced electron transfer and increased electrochemical surface area were revealed in the interconnected porous scaffold, affording it sufficiently efficient and stable activity for potential practical applications. This work offers new insights into optimizing the adsorption energy of reactants and intermediates combined with tuning the crystallinity of NRR electrocatalysts.

Fang, Zhiwei↗
DOE OSTI2026

Toward the origins of binding energy shifts and “satellites” formation during plasma-XPS measurements

In-plasma x-ray photoelectron spectroscopy (plasma-XPS) emerges as a powerful platform for real-time, in situ chemical analysis under conditions relevant to semiconductor processing and other plasma-enabled technologies. This study investigates the origins of binding energy (BE) shifts and the formation of “satellite” peaks observed during plasma-XPS measurements across conductive, dielectric, and gas-phase systems. Using a standard laboratory-based ambient pressure XPS apparatus coupled with an alternating current (AC)-driven capacitively coupled plasma source, we demonstrate that metastable surface species, such as transient Au oxides, can be detected during plasma exposure, revealing chemical states that are hardly accessible using conventional ultrahigh vacuum (UHV) XPS. In dielectric samples (e.g., undoped diamond, sapphire), we observe pressure- and plasma-type-dependent BE shifts of more than 50 eV, attributed to x-ray-induced and plasma-mediated surface charging. These shifts are mitigated at higher pressures/plasmas or in electronegative plasmas (e.g., O 2 ), the latter due to enhanced charge compensation mechanisms involving slow negative ions. For gas-phase species, AC-plasma excitation leads to spectral broadening and the emergence of “satellite” peaks with energy separations of a few electron volts, linked to oscillating local plasma potentials in the probing volume. Furthermore, these findings highlight the complex and important interplay between plasma parameters, surface charging, and local electric fields in shaping XPS spectra. Overall, plasma-XPS emerges as a critical metrological tool for probing transient surface chemistry, with implications for semiconductor processing, material synthesis, and plasma diagnostics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2005

Atom Resonance Lines for Modeling Atmosphere: Studies of Pressure-Broadening of Alkali Atom Resonance Lines for Modeling Atmospheres of Extrasolar Giant Planets and Brown Dwarfs

We report on progress made in a joint program of theoretical and experimental research to study the line-broadening of alkali atom resonance lines due to collisions with species such as helium and molecular hydrogen. Accurate knowledge of the line profiles of Na and K as a function of temperature and pressure will allow such lines to serve as valuable diagnostics of the atmospheres of brown dwarfs and extra-solar giant planets. A new experimental apparatus has been designed, built and tested over the past year, and we are poised to begin collecting data on the first system of interest, the potassium resonance lines perturbed by collisions with helium. On the theoretical front, calculations of line-broadening due to sodium collisions with helium are nearly complete, using accurate molecular potential energy curves and transition moments just recently computed for this system. In addition we have completed calculations of the three relevant potential energy curves and associated transition moments for K - He, using the MOLPRO quantum chemistry codes. Currently, calculations of the potential surfaces describing K-H2 are in progress.

Hasan, Hashima↗
NASA NTRS2012

Impact of Aerosols on Convective Clouds and Precipitation

Aerosols are a critical.factor in the atmospheric hydrological cycle and radiation budget. As a major agent for clouds to form and a significant attenuator of solar radiation, aerosols affect climate in several ways. Current research suggests that aerosols have a major impact on the dynamics, microphysics, and electrification properties of continental mixed-phase convective clouds. In addition, high aerosol concentrations in urban environments could affect precipitation variability by providing a significant source of cloud condensation nuclei (CCN). Such pollution . effects on precipitation potentially have enormous climatic consequences both in terms of feedbacks involving the land surface via rainfall as well as the surface energy budget and changes in latent heat input to the atmosphere. Basically, aerosol concentrations can influence cloud droplet size distributions, the warm-rain process, the cold-rain process, cloud-top heights, the depth of the mixed-phase region, and the occurrence of lightning. Recently, many cloud resolution models (CRMs) have been used to examine the role of aerosols on mixed-phase convective clouds. These modeling studies have many differences in terms of model configuration (two- or three-dimensional), domain size, grid spacing (150-3000 m), microphysics (two-moment bulk, simple or sophisticated spectral-bin), turbulence (1st or 1.5 order turbulent kinetic energy (TKE)), radiation, lateral boundary conditions (i.e., closed, radiative open or cyclic), cases (isolated convection, tropical or midlatitude squall lines) and model integration time (e.g., 2.5 to 48 hours). Among these modeling studies, the most striking difference is that cumulative precipitation can either increase or decrease in response to higher concentrations of CCN. In this presentation, we review past efforts and summarize our current understanding of the effect of aerosols on convective precipitation processes. Specifically, this paper addresses the following topics: observational evidence of the effect of aerosols on precipitation processes, and results from (CRM) simulations. Note that this presentation is mainly based on a recent paper published in Geophy. Rev. (Tao et al. 2012).

Tao, Wei-Kuo↗
NASA NTRS2014

Geology Before Pluto: Pre-Encounter Considerations

Pluto, its large satellite Charon, and its four known satellites represent the first trans-Neptunian Kuiper Belt objects populating the outer-most solar system beyond the gas giant planets to be studied in detail from a spacecraft (New Horizons). A complete picture of the solar nebula, and solar system formation cannot be confidently formulated until representatives of this group of bodies at the edge of solar space have been examined. The Pluto system is composed of unique lunar- and intermediate-sized objects that can tell us much about how objects with volatile icy compositions evolve. Modeling of the interior suggests that geologic activity may have been to some degree, and observations of frost on the surface could imply the need for a geologic reservoir for the replenishment of these phases. However, the putative indicators of Pluto's geologic history are inconclusive and unspecific. Detailed examination of Pluto's geologic record is the only plausible means of bridging the gap between theory and observations. In this talk I will examine the potential importance of these tentative indications of geologic activity and how specific spacecraft observations have been designed and used to constrain the Pluto system's geologic history. The cameras of New Horizons will provide robust data sets that should be immanently amenable to geological analysis of the Pluto System's landscapes. In this talk, we begin with a brief discussion of the planned observations by New Horizons' cameras that will bear most directly on geological interpretability. Then I will broadly review major geological processes that could potentially operate of the surfaces of Pluto and its moons. I will first survey exogenic processes (i.e., those for which energy for surface modification is supplied externally to the planetary surface): impact cratering, sedimentary processes (including volatile migration) and the work of wind. I will conclude with an assessment of prospects for endogenic activity in the form of tectonics and cryo-volcanism.

Pluto↗
DOE OSTI2020

Manufacturing of thick composite electrode using solvent mixtures

A method of making an electrode includes the step of dispersing an active electrode material and a conductive additive in a solvent to create a mixed dispersion. The solvent has a surface tension less than 40 mN/m and an ozone forming potential of no more than 1.5 lbs. ozone/lb. solvent. A surface of a current collector is treated to raise the surface energy of the surface to at least the surface tension of the solvent or the mixed dispersion. The dispersed active electrode material and conductive additive are deposited on the current collector. The coated surface is heated to remove solvent from the coating.

25 ENERGY STORAGE↗
DOE OSTI2025

Zeta potential measurements of SiO 2 and TiO 2 particles in anionic and cationic surfactant solutions

Zeta potential measurements can provide valuable insights into colloidal stability and may reflect changes in the electrochemical double layer that influence electrocatalysis. In this study, we used zeta potential measurements to monitor and investigate the adsorption behavior of anionic sodium dodecyl sulfate (SDS), cationic dodecyl trimethyl ammonium bromide (DTAB), and cationic cetyl trimethyl ammonium bromide (CTAB) surfactants on SiO 2 and TiO 2 particles in DI water. The zeta potentials of SiO 2 and TiO 2 particles were measured as a function of particle concentration in 1.0 mM, 5.0 mM, and 10.0 mM surfactant solutions. Results indicate that there is no significant adsorption of DS - ions on SiO 2 particles across all SDS concentrations investigated in this study. The zeta potential of TiO 2 particles shifts from negative to positive as particle concentration increases at 1.0 mM SDS, indicating a decrease in DS - ions adsorption per TiO 2 particle. Adsorption plateaus at 5.0 mM SDS for all TiO 2 concentrations studied. In contrast, DTA + and CTA + ions showed clear adsorption on SiO 2 particles, but DTA + exhibited no apparent adsorption on TiO 2 particles. Interestingly, CTA + adsorption on TiO 2 was only evident at higher surfactant concentrations. This study presents a systematic investigation of zeta potential behavior as a function of particle and surfactant concentration, highlighting adsorption saturation and electrostatic reversal. Unlike prior work that was limited to single particle concentration measurements, our approach reveals how surfactant adsorption per particle decreases with increasing surface area. Despite the structural similarity between DTAB and CTAB, this study captured the different adsorption behaviors of both surfactants on SiO 2 and TiO 2 , emphasizing the role of the overall structure of the surfactant on surfactant adsorption behavior. These insights refine the interpretation of zeta potential data and advance understanding of surfactant adsorption on oxide particles. The insight provided in this study about surfactant adsorption on SiO 2 and TiO 2 particles could have important implications for the design of more effective colloidal and catalytic systems.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Spontaneous Cyclogenesis without Radiative and Surface-Flux Feedbacks

Tropical cyclones (TCs) are among the most intense and feared storms in the world. What physical processes lead to cyclogenesis remains the most mysterious aspect of TC physics. Here, we study spontaneous TC genesis in rotating radiative–convective equilibrium using cloud-resolving simulations over an f plane with constant sea surface temperature. Previous studies proposed that spontaneous TC genesis requires either radiative or surface-flux feedbacks. To test this hypothesis, we perform mechanism-denial experiments, in which we switch off both feedback processes in numerical simulations. We find that TCs can self-emerge even without radiative and surface-flux feedbacks. Although these feedbacks accelerate the genesis and impact the size of the TCs, TCs in the experiments without them can reach similar intensities as those in the control experiment. We show that TC genesis is associated with an increase in the available potential energy (APE) and that convective heating dominates the APE production. Overall, our result suggests that spontaneous TC genesis may result from a cooperative interaction between convection and circulation and that radiative and surface-flux feedbacks accelerate the process. Furthermore, we find that increasing the planetary rotation favors spontaneous TC genesis.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

From material properties to multiscale modeling to improve lithium-ion energy storage safety

Energy storage using lithium-ion cells dominates consumer electronics and is rapidly becoming predominant in electric vehicles and grid-scale energy storage, but the high energy densities attained lead to the potential for release of this stored chemical energy. This article introduces some of the paths by which this energy might be unintentionally released, relating cell material properties to the physical processes associated with this potential release. The selected paths focus on the anode–electrolyte and cathode–electrolyte interactions that are of typical concern for current and near-future systems. Relevant material processes include bulk phase transformations, bulk diffusion, surface reactions, transport limitations across insulating passivation layers, and the potential for more complex material structures to enhance safety. We also discuss the development, parameterization, and application of predictive models for this energy release and give examples of the application of these models to gain further insight into the development of safer energy storage systems.

25 ENERGY STORAGE↗
NASA NTRS1988

Simulation studies for surfaces and materials strength

During this six month period of the Simulation Studies for Surfaces and Materials Strength program investigations were carried out in two general areas: (1) Energy barriers and structural transitions between isomers of small Al clusters were investigated. In this study an empirical potential function which was parametrized based on accurate first principle results was employed; (2) A comparative study was conducted to investigate the applicability of most commonly employed model potential functions in calculating various bulk, surface and small cluster properties.

Halicioglu, Timur↗
DOE OSTI2022

The theory of transport in helical spin-structure crystals

Abstract We study helical structures in spin-spiral single crystals. In the continuum approach for the helicity potential energy the simple electronic band splits into two non-parabolic bands. For low exchange integrals, the lower band is described by a surface with a saddle shape in the direction of the helicity axis. Using the Boltzmann equation with the relaxation due to acoustic phonons, we discover the dependence of the current on the angle between the electric field and helicity axis leading to the both parallel and perpendicular to the electric field components in the electroconductivity. The latter can be interpreted as a planar Hall effect. In addition, we find that the transition rates depend on an electron spin allowing the transition between the bands. The electric conductivities exhibit nonlinear behaviors with respect to chemical potential µ . We explain this effect as the interference of the band anisotropy, spin conservation, and interband transitions. The proposed theory with the spherical model in the effective mass approximation for conduction electrons can elucidate nonlinear dependencies that can be identified in experiments. We find the excellent agreement between the theoretical and experimental data for parallel resistivity depending on temperature at the phase transition from helical to ferromagnetic state in a M n P single crystal. In addition, we predict that the perpendicular resistivity abruptly drops to zero in the ferromagnetic phase.

Physics↗
DOE OSTI2021

Stability and mobility of tungsten clusters on tungsten (110) surface: Ab initio and atomistic simulations

Quantifying the surface transport properties of tungsten (W) is of prime importance to understand the formation of nano-fuzz in fusion plasma-facing conditions. The stability and mobility of W adatom clusters (W n , n = 2-9) on the W(110) surface has been investigated by computer simulations, including ab initio calculations using density functional theory (DFT) and molecular statics (MS) simulations with multiple W interatomic potentials. The DFT results demonstrate that the sequential binding energy generally increases with number of W adatoms, except for the 5 th and 7 th W adatoms. The most common elemental migration steps of W n (n>2) clusters are observed to consist of monomer and dimer hops, while larger W n clusters can also diffuse by dissociation and recombination of smaller clusters. The threshold migration energy of W 9 is the highest, then followed by W 8 , W 4 , and W 6 , while W 3 , W 5 , and W 7 have similar migration energies. Compared to DFT, each interatomic potential evaluated overestimates the binding energies of W n clusters. Additionally, the embedded-atom potential developed by Juslin and Wirth adequately predicts the threshold migration energy of W n (n>2) clusters, although it predicts different underlying migration mechanisms. The results show that interaction mechanism between W adatoms controls the stability and mobility of W n clusters on the W(110) surface.

36 MATERIALS SCIENCE↗
NASA NTRS2017

Contamination and Surface Preparation Effects on Composite Bonding

Results presented here demonstrate the effect of several prebond surface contaminants (hydrocarbon, machining fluid, latex, silicone, peel ply residue, release film) on bond quality, as measured by fracture toughness and failure modes of carbon fiber reinforced epoxy substrates bonded in secondary and co-bond configurations with paste and film adhesives. Additionally, the capability of various prebond surface property measurement tools to detect contaminants and potentially predict subsequent bond performance of three different adhesives is also shown. Surface measurement methods included water contact angle, Dyne solution wettability, optically stimulated electron emission spectroscopy, surface free energy, inverse gas chromatography, and Fourier transform infrared spectroscopy with chemometrics analysis. Information will also be provided on the effectiveness of mechanical and energetic surface treatments to recover a bondable surface after contamination. The benefits and drawbacks of the various surface analysis tools to detect contaminants and evaluate prebond surfaces after surface treatment were assessed as well as their ability to correlate to bond performance. Surface analysis tools were also evaluated for their potential use as in-line quality control of adhesive bonding parameters in the manufacturing environment.

Kutscha, Eileen O.↗
NASA NTRS2000

Significant Features Found in Simulated Tropical Climates Using a Cloud Resolving Model

Cloud resolving model (CRM) has widely been used in recent years for simulations involving studies of radiative-convective systems and their role in determining the tropical regional climate. The growing popularity of CRMs usage can be credited for their inclusion of crucial and realistic features such like explicit cloud-scale dynamics, sophisticated microphysical processes, and explicit radiative-convective interaction. For example, by using a two-dimensional cloud model with radiative-convective interaction process, found a QBO-like (quasibiennial oscillation) oscillation of mean zonal wind that affected the convective system. Accordingly, the model-generated rain band corresponding to convective activity propagated in the direction of the low-level zonal mean winds; however, the precipitation became "localized" (limited within a small portion of the domain) as zonal mean winds were removed. Two other CRM simulations by S94 and Grabowski et al. (1996, hereafter G96), respectively that produced distinctive quasi-equilibrium ("climate") states on both tropical water and energy, i.e., a cold/dry state in S94 and a warm/wet state in G96, have later been investigated by T99. They found that the pattern of the imposed large-scale horizontal wind and the magnitude of the imposed surface fluxes were the two crucial mechanisms in determining the tropical climate states. The warm/wet climate was found associated with prescribed strong surface winds, or with maintained strong vertical wind shears that well-organized convective systems prevailed. On the other hand, the cold/dry climate was produced due to imposed weak surface winds and weak wind shears throughout a vertically mixing process by convection. In this study, considered as a sequel of T99, the model simulations to be presented are generally similar to those of T99 (where a detailed model setup can be found), except for a more detailed discussion along with few more simulated experiments. There are twelve major experiments chosen for presentations that are introduced in section two. Several significant feature analyses regarding the rainfall properties, CAPE (Convective Available Potential Energy), cloud-scale eddies, the stability issue, the convective system propagation, relative humidity, and the effect on the quasi-equilibrium state by the imposed constant. radiation or constant surface fluxes, and etc. will be presented in the meeting. However, only three of the subjects are discussed in section three. A brief summary is concluded in the end section.

Shie, C.-L.↗
DOE OSTI2025

Relative Contributions of Surface Parcel and Atmospheric Environment to Convective Potential during Interstorm Periods

Convective instability is affected by both surface heat fluxes into near-surface air parcels and the atmospheric profile encountered as these air parcels are lifted aloft. In this study, we investigate the evolution of buoyancy experienced by surface-based parcels, taking interstorm soil moisture drydowns as fundamental time periods. We use profile observations of atmospheric temperature and humidity from ground-based passive remote sensing and in situ observations available at the U.S. Department of Energy Atmospheric Radiation Measurement Southern Great Plains site in Oklahoma, United States, and examine drydown events during the warm seasons from 2017 to 2022. Results reveal new insights on the emergence and growth of convective available potential energy (CAPE) during drydowns. We observe that the peak convective potential appears in the afternoon and grows in the midtroposphere (68% of 66 drydown events), with the largest CAPE values toward the end of the drydown event. We also find that the near-surface parcel contributes more to the evolution of CAPE than the atmospheric environment (86% of drydown events). These findings highlight the importance of surface heat fluxes and moisture availability from surface-based parcels in modulating the evolution of atmospheric conditions favorable for convection, underscoring the interplay between surface processes and atmospheric dynamics in driving convective instability.

Atmosphere-land interaction↗
DOE OSTI2020

Quasi-equilibrium predictions of water desorption kinetics from rapidly-heated metal oxide surfaces

Controlling sub-microsecond desorption of water and other impurities from electrode surfaces at high heating rates is crucial for pulsed power applications. Despite the short time scales involved, quasi-equilibrium ideas based on transition state theory (TST) and Arrhenius temperature dependence have been widely applied to fit desorption activation free energies. Here, we apply molecular dynamics (MD) simulations in conjunction with equilibrium potential-of-mean-force (PMF) techniques to directly compute the activation free energies (ΔG*) associated with desorption of intact water molecules from Fe 2 O 3 and Cr 2 O 3 (0001) surfaces. The desorption free energy profiles are diffuse, without maxima, and have substantial dependences on temperature and surface water coverage. Incorporating the predicted ΔG* into an analytical form gives rate equations that are in reasonable agreement with non-equilibrium molecular dynamics desorption simulations. We also show that different ΔG* analytical functional forms which give similar predictions at a particular heating rate can yield desorption times that differ by up to a factor of four or more when the ramp rate is extrapolated by 8 orders of magnitude. This highlights the importance of constructing a physically-motivated ΔG* functional form to predict fast desorption kinetics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Gel-Derived Amorphous Bismuth–Nickel Alloy Promotes Electrocatalytic Nitrogen Fixation via Optimizing Nitrogen Adsorption and Activation

To achieve the electrochemical nitrogen reduction reaction (NRR) for efficient and sustainable NH 3 production, catalysts should exhibit high selectivity and activity with optimal adsorption energy. Herein we developed a three-dimensional (3D) amorphous BiNi alloy toward a significantly enhanced NRR compared with its crystalline and metal counterparts. Ni alloying enables the chemisorption of nitrogen and the lower fre-energy change for the *NNH formation, and the 3D alloy electrocatalyst exhibits high catalytic activity for NH 3 production with a yield rate of 17.5 μg h -1 mg cat -1 and Faradaic efficiency of 13.8 %. The enhanced electron transfer and increased electrochemical surface area were revealed in the interconnected porous scaffold, affording it sufficiently efficient and stable activity for potential practical applications. Furthermore, this work offers new insights into optimizing the adsorption energy of reactants and intermediates combined with tuning the crystallinity of NRR electrocatalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗