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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 757 records · Page 42
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Resolving the Evolution of Atomic Layer-Deposited Thin-Film Growth by Continuous In Situ X-Ray Absorption Spectroscopy

In situ synchrotron X-ray absorption near-edge structure characterization of thin-film titania growth by atomic layer deposition (ALD) over ZnO nanowires reveals persistent low-coordinated Ti motifs leading to a new picture of ALD growth. Through the design of growth and measurement cycles, Ti K-edge spectral data are continuously recorded so as to characterize the film evolution as a function of ALD cycle number and the surface changes within the time scale of the ALD cycle. A unified set of analysis tools is developed to interpret the time-series of spectral data. A prenucleation stage of growth, a transition region, and then a steady-state growth stage are observed with distinguishable features. Multivariate curve resolution analysis, that is physically constrained, demonstrates two specific spectral components with associated, time-dependent concentrations. The bulk-film component tracks the stages of growth. The surface and interface components, present throughout the stages of growth, reveal a significant coverage of relatively isolated or loosely networked tetrahedrally coordinated Ti atomic motifs. Lastly, spectral signatures for the intra-cycle growth kinetics are reconstructed at a time resolution of ~1 s and demonstrate that the transient Ti motifs on the growing surface stabilize within a few seconds of the Ti precursor pulse.

36 MATERIALS SCIENCE↗
NASA NTRS1983

CCD photometry of Abell clusters. II - Surface photometry of 249 cluster galaxies

The luminosity of the brightest cluster galaxies remains the best standard candle for observational cosmology. Studies of over 250 relatively nearby clusters show that the luminosity of these objects within an aperture of constant metric diameter has a dispersion of only 0.35 mag. The observations considered by Schneider et al. (1983) were acquired to measure the aperture luminosities of the brightest cluster galaxies. However, the data base, because of its high signal-to-noise ratio and large spatial coverage, allows several other investigations to be performed. In the present investigation, surface photometry of the brightness three galaxies within approximately 250 kpc of the cluster center is presented, taking into account the cores of 83 Abell clusters. The relevance of the photometry to cosmological studies is also discussed. It is found that dynamical friction does play an extremely important role in determining properties of brightest cluster galaxies and cluster morphology.

Schneider, D. P.↗
DOE OSTI2022

Monolayer Molecular Functionalization Enabled by Acid–Base Interaction for High-Performance Photochemical CO 2 Reduction

We report the development of a hybrid catalyst consisting of carbon nitride (CN x ) and cobalt phthalocyanine tetracarboxylic acid (CoPc-COOH), which converts CO 2 to CO with high reaction rate (1067 μmol/g·h) and high selectivity (over 98%), under simulated solar irradiation. The carboxylic acid substituents on the phthalocyanine ligands play a critical role as they bind to the amine groups of CN x to enable nearly ideal monolayer coverage of the molecular co-catalyst on the semiconductor surface and promote catalytic activity from the molecular complex. Specifically, the CN x /CoPc-COOH hybrid material achieves a reaction rate 16 times higher than a CN x material containing unsubstituted CoPc molecules. We further show that activation and deactivation of the CN x /CoPc-COOH composite, which are associated with the reduction and decomposition of CoPc-COOH, respectively, both proceed at a nearly constant rate regardless of the CO 2 reduction reaction rate. Here, the decoupling of charge carrier injection and CO 2 reduction catalysis has important mechanistic implications for future performance optimization and materials design of photocatalysts for CO 2 reduction.

14 SOLAR ENERGY↗
DOE OSTI2021

Geometry and dynamics of passive scalar structures in compressible turbulent mixing

We present a structure-based numerical analysis of passive scalar mixing in decaying homogeneous isotropic turbulence (DHIT) and shock-turbulence interaction canonical configurations. The analysis focuses on the temporal evolution of ensembles of passive scalar structures, initialized as spheres of different sizes relative to the Taylor microscale. An algorithm is introduced to track the evolution of each individual structure and the interactions with other structures in the ensemble, relating changes in the surface geometry and the underlying physical processes (turbulent transport, scalar dissipation, and shock compression). The tracking algorithm is applied to datasets from shock-capturing direct numerical simulations of DHIT, with Taylor microscale Reynolds number Re λ =40 and turbulence Mach number M t =0.2 ⁠, and STI cases in which the turbulence is processed by a shock wave at Mach numbers M = 1.5 and 3.0. Temporal surface convolution increases for initially larger structures, resulting in a higher probability of locally hyperbolic geometries where breakup into smaller structures occurs. Shock-induced deformation of the structures amplifies breakup processes, enhancing mixing, particularly for larger structures. Mixing enhancement by the shock is manifested as an amplification of the surface-averaged scalar gradient, which increases for initially larger structures. The alignment between the scalar gradient and the most extensional strain-rate eigendirection on the scalar isosurfaces also increases across the shock. Larger magnitudes of the scalar gradient and its alignment with the most compressive strain-rate eigendirection correlate with flatter surface regions. Shock-induced structure compression increases the area coverage of flat regions, where the amplification of scalar gradient is localized.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1972

Multiple beam antenna system

Using a computer program which plots beams from antennas located on synchronous satellites onto the earth's surface, several circular and elliptical reflectors were analyzed for pattern coverage. The reflectors considered were circular paraboloid and elliptical shaped.

Byrnes, P. J.↗
NASA NTRS1974

Space shuttle electromagnetic environment experiment. Phase A: Definition study

A program is discussed which develops a concept for measuring the electromagnetic environment on earth with equipment on board an orbiting space shuttle. Earlier work on spaceborne measuring experiments is reviewed, and emissions to be expected are estimated using, in part, previously gathered data. General relations among system parameters are presented, followed by a proposal on spatial and frequency scanning concepts. The methods proposed include a nadir looking measurement with small lateral scan and a circularly scanned measurement looking tangent to the earth's surface at the horizon. Antenna requirements are given, assuming frequency coverage from 400 MHz to 40 GHz. For the low frequency range, 400-1000 MHz, a processed, thinned array is proposed which will be more fully analyzed in the next phase of the program. Preliminary hardware and data processing requirements are presented.

Haber, F.↗
NASA NTRS1991

Micro-technology for planetary exploration and education

The use of combined miniaturization technology and distributed information systems in planetary exploration is discussed. Missions in which teams of microrovers collect samples from planetary surfaces are addressed, emphasizing the ability of rovers to provide coverage of large areas, reliability through redundancy, and participation of a large group of investigators. The latter could involve people from a variety of institutions, increasing the opportunity for wide education and the increased interest of society in general in space exploration. A three-phase program to develop the present approach is suggested.

Miller, David P.↗
NASA NTRS2003

Surface Characterization of 3C-SiC Mesa Heterofilms: Evidence for Growth by Edge/Corner Nucleation Mechanism

This paper presents the first detailed observations of unique surface morphologies of 3C-Sic films grown on 4W6H-SIC mesas by the step-free surface heteroepitaxy technique. The top surfaces of 3C-Sic films were extensively studied by optical microscopy and atomic force microscopy (AFM) as both film thickness (i.e,, growth time) and growth temperature (i.e., terrace nucleation rate) were varied following complete coverage of each 4W6H mesa by an initial 3C-Sic film. Almost all surface steps observed by AFM were 0.25 nm, the height of a single Si-C bilayer. However, strikingly different step patterns were observed, suggesting that radically different processes dominate the nucleation of new 3C-Sic bilayers on top of existing 3C-Sic film surfaces.

Trunek, Andrew J.↗
NASA NTRS2013

Enhanced Deep Blue Aerosol Retrieval Algorithm: The Second Generation

The aerosol products retrieved using the MODIS collection 5.1 Deep Blue algorithm have provided useful information about aerosol properties over bright-reflecting land surfaces, such as desert, semi-arid, and urban regions. However, many components of the C5.1 retrieval algorithm needed to be improved; for example, the use of a static surface database to estimate surface reflectances. This is particularly important over regions of mixed vegetated and non- vegetated surfaces, which may undergo strong seasonal changes in land cover. In order to address this issue, we develop a hybrid approach, which takes advantage of the combination of pre-calculated surface reflectance database and normalized difference vegetation index in determining the surface reflectance for aerosol retrievals. As a result, the spatial coverage of aerosol data generated by the enhanced Deep Blue algorithm has been extended from the arid and semi-arid regions to the entire land areas.

Deep Blue↗
NASA NTRS2016

Overview of the SMAP Applications and the SMAP Early Adopters Program - NASA's First Mission-Directed Outreach Effort

Satellite data provide global observations of many of the earths system processes and features. These data are valuable for developing scientific products that increase our understanding of how the earths systems are integrated. The water, energy and carbon cycle exchanges between the land and atmosphere are linked by soil moisture. NASAs Soil Moisture Active Passive (SMAP) mission provides soil moisture and freeze thaw measurements from space and allows scientists to link the water energy and carbon cycles. In order for SMAP data to be best integrated into decision support systems, the mission has engaged with the stakeholder community since 2009 and has attempted to scale the utility of the data to the thematic societal impacts of the satellite product applications. The SMAP Mission, which launched on January 31, 2015, has actively grown an Early Adopter (EA) community as part of its applications effort and worked with these EAs to demonstrate a scaled thematic impact of SMAP data product in societally relevant decision support applications. The SMAP mission provides global observations of the Earths surface soil moisture, providing high accuracy, resolution and continuous global coverage. Through the Early Adopters Program, the SMAP Applications Team will spend the next 2 years after launch documenting and evaluating the use of SMAP science products in applications related to weather forecasting, drought, agriculture productivity, floods, human health and national security.

SMAP↗
DOE OSTI2022

Spatiotemporal evolution of melt ponds on Arctic sea ice

Melt ponds on sea ice play an important role in the Arctic climate system. Their presence alters the partitioning of solar radiation: decreasing reflection, increasing absorption and transmission to the ice and ocean, and enhancing melt. The spatiotemporal properties of melt ponds thus modify ice albedo feedbacks and the mass balance of Arctic sea ice. The Multidisciplinary drifting Observatory for the Study of Arctic Climate (MOSAiC) expedition presented a valuable opportunity to investigate the seasonal evolution of melt ponds through a rich array of atmosphere-ice-ocean measurements across spatial and temporal scales. In this study, we characterize the seasonal behavior and variability in the snow, surface scattering layer, and melt ponds from spring melt to autumn freeze-up using in situ surveys and auxiliary observations. We compare the results to satellite retrievals and output from two models: the Community Earth System Model (CESM2) and the Marginal Ice Zone Modeling and Assimilation System (MIZMAS). During the melt season, the maximum pond coverage and depth were 21% and 22 ± 13 cm, respectively, with distribution and depth corresponding to surface roughness and ice thickness. Compared to observations, both models overestimate melt pond coverage in summer, with maximum values of approximately 41% (MIZMAS) and 51% (CESM2). This overestimation has important implications for accurately simulating albedo feedbacks. During the observed freeze-up, weather events, including rain on snow, caused high-frequency variability in snow depth, while pond coverage and depth remained relatively constant until continuous freezing ensued. Both models accurately simulate the abrupt cessation of melt ponds during freeze-up, but the dates of freeze-up differ. MIZMAS accurately simulates the observed date of freeze-up, while CESM2 simulates freeze-up one-to-two weeks earlier. This work demonstrates areas that warrant future observation-model synthesis for improving the representation of sea-ice processes and properties, which can aid accurate simulations of albedo feedbacks in a warming climate.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Syngas Production at Si Hybrid Photoelectrodes Modified with Re(I) and Mn(I) Tricarbonyl Phenanthroline Complexes Containing Reactive Aryl Azide Groups

We installed molecular CO 2 reduction (CO 2 R) catalysts directly onto Si (photo)electrodes. The highly reactive M(5-azido-1,10-phenanthroline)(CO) 3 X (where M = Mn or Re, X = Br or Cl) complexes readily bubbled when dissolved in polar organic solvents, in both the presence and absence of an ultraviolet light source. When placed on hydrogen-terminated Si (H-Si) and native silicon oxide (SiOx), similar amounts of the complex were attached to the surface under illumination (367 nm, 50–200 mW/cm 2 ) or in the dark. Surprisingly, these films revealed submonolayer coverages instead of the multilayered structures we expected. DFT analyses support monolayer formation, showing that the triplet-state nitrene of the complex is more energetically favorable than the singlet state. Using controlled-potential electrolysis experiments, we showed that Re- and Mn-containing films on pSi photoelectrodes generated small amounts of CO when exposed to 1 atm of CO 2 and 1 sun illumination. These amounts of CO were an order of magnitude greater than control surfaces, producing 5.59 × 10 –7 mol CO/h for Re(az-phen) and 7.83 × 10 –7 mol CO/h for Mn(az-phen) films. Much of the charge passed at the pSi electrodes was consumed by the competing hydrogen evolution reaction, which we attribute to the low molecular coverage and the presence of native oxide on the electrode surface after attachment. Finally, this work demonstrates the feasibility of reacting azide-containing ligands with Si surfaces. Still, it highlights the need for alternative ligand structures and reaction conditions to form multilayer films.

azides↗
NASA NTRS1993

Multi-beam laser altimeter

Laser altimetry provides a high-resolution, high-accuracy method for measurement of the elevation and horizontal variability of Earth-surface topography. The basis of the measurement is the timing of the round-trip propagation of short-duration pulses of laser radiation between a spacecraft and the Earth's surface. Vertical resolution of the altimetry measurement is determined primarily by laser pulsewidth, surface-induced spreading in time of the reflected pulse, and the timing precision of the altimeter electronics. With conventional gain-switched pulses from solid-state lasers and sub-nsec resolution electronics, sub-meter vertical range resolution is possible from orbital attitudes of several hundred kilometers. Horizontal resolution is a function of laser beam footprint size at the surface and the spacing between successive laser pulses. Laser divergence angle and altimeter platform height above the surface determine the laser footprint size at the surface, while laser pulse repetition-rate, laser transmitter beam configuration, and altimeter platform velocity determine the space between successive laser pulses. Multiple laser transitters in a singlaltimeter instrument provide across-track and along-track coverage that can be used to construct a range image of the Earth's surface. Other aspects of the multi-beam laser altimeter are discussed.

Bufton, Jack L.↗
DOE OSTI2025

Modeling Pb(II) Adsorption on Mineral Surfaces: Bridging Density Functional Theory and Experiment with Thermodynamic Insights

Despite decades of work on aqueous lead (Pb) adsorption on a-Fe2O3 (hematite) and a-Al2O3 (alumina), gaps between measurements and modeling obscure molecular-level understanding. Achieving well-matched geometries between theory and experimental for mineral-water interfaces is a hurdle, as surface functional group type and distribution must be accounted for in determining mechanisms. Additionally, computational methods that can describe the substrate are often not appropriate to capture aqueous effects. Progress requires focusing on well-studied and relevant systems, such as key facets (001),(012), and (110) of hematite and alumina, and ubiquitous contaminants such as aqueous Pb. In the past, bulk-parametrized bond-valence principles were used to rationalize Pb(II) adsorption trends. These approaches can break down at surfaces, where flexible bonding environments and adsorption-induced surface relaxations play a critical role. Here, we adapt and apply a density functional theory (DFT) and thermodynamics framework, integrating DFT-calculated energies with experimental data and electrochemical principles, to predict Pb(II) adsorption. Our model results capture trends across the full set of surfaces and predict that inner-sphere Pb(II) sorption on (001) alumina varies from unfavorable to weakly favorable across a range of pH conditions. This aligns with experiment insights that Pb(II) interacts at that surface through outer-sphere interactions. Extending to Fe(II) adsorption, we demonstrate a coverage-dependent site preference, potentially explaining disorder in overlayers grown by the oxidative adsorption of Fe(II) on hematite (001).

lead contamination↗
NASA NTRS2021

Enabling Mars Radio Occultation by Smallsats

We introduce a Mars Radio Occultation (RO) mission concept leveraging on small satellite (smallsat) technologies that will enable measurements that address both Mars science and exploration priorities. The RO technique measures the Doppler shift of radio signals of a spacecraft occulting behind a planet’s limb that contains information about the planet’s atmospheric density, temperature, and pressure. We design a smallsat constellation and simulate “crosslink” RO observations between the smallsats to determine the expected accuracy and spatiotemporal coverage of Mars RO atmospheric profiles. Such measurements are key to spacecraft Entry, Descent, and Landing (EDL) and Ascent from the Surface (AST) of Mars. Today, there are limited number of Mars atmospheric profiles with high vertical resolution, especially measurements near the surface that are difficult to obtain from satellite-based passive instruments due to atmospheric absorption. We find that crosslink ROs between a constellation of six smallsats provide global and diurnal cycle coverage with dozens of occultations per day, providing temperature information from near-surface up to ~45 km with altitude-dependent accuracy that ranges between <0.5 K at lower altitude to <5 K in the middle-to-upper atmosphere. Ionospheric ROs reveal an expected electron density of ~5 – 10% at the peak ionospheric height between 100 and 140 km. We conclude that observations obtained from a smallsat constellation can augment existing observing platforms by reducing observational gaps and yield high resolution measurements required for safe spacecraft operations during EDL and AST.

Martinez, German↗
NASA NTRS1994

Composition of the Moon as Determined from Orbit by Gamma-Ray Spectroscopy

A spacecraft placed in a planetary orbit of suitably high inclination will pass over all or most of the planet's surface in a matter of several weeks to months. The quite prodigious scientific potential of planetary orbiters lies in coupling this comprehensive coverage with observing systems capable of gathering data on properties that include elemental and mineralogic composition, exogenic and endogenic surface alterations, thermal balance, gravity, topography, stratigraphy, albedo and magnetism.

gramma-ray spectroscopy↗
DOE OSTI2023

A Coverage Self-Consistent Microkinetic Model for Vapor-Phase Formic Acid Decomposition over Pd/C Catalysts

An iterative approach utilizing density functional theory (DFT, PW91-GGA)-informed mean-field microkinetic models and reaction kinetics experiments is used to determine the reaction mechanism and the active site for formic acid (HCOOH, FA) decomposition over a Pd/C catalyst. Models parametrized using DFT energetics on clean Pd(100) and Pd(111) required large corrections to the DFT energetics for capturing our experimental data. Further, both Pd(111) and Pd(100) models predicted a high coverage of adsorbed CO (CO*), inconsistent with the assumption of a clean surface at which the rate parameters for these models were calculated. To better represent the active site under reaction conditions and explicitly account for the presence of CO*, subsequent microkinetic models were formulated using DFT energetics that were calculated on partially (5/9 ML) CO*-covered Pd (111) and (100) facets. Upon parameter adjustment, the resultant 5/9 ML CO*-covered Pd(100) model, although consistent in terms of CO* coverage, was unable to capture the dehydration path measured in the experiments and was, therefore, deemed not to offer an accurate representation of the active site for FA decomposition over Pd/C. In contrast, a partially CO*-covered Pd(111) model was better at representing the catalytic active site, as in addition to being consistent in terms of CO* coverages, it required small adjustments of the DFT parameters to accurately capture the experimental data set (both dehydrogenation and dehydration). Our results suggest that the reaction occurs via the spectroscopically elusive carboxyl (COOH*) intermediate and that spectator CO*-assisted decomposition pathways play an important role under typical experimental conditions. In addition, our study highlights the importance of striving for coverage self-consistent microkinetic models and for including spectator-assisted mechanisms in order to develop an improved picture of the active site under reaction conditions.

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

Effect of Ni deposition on CrI 3 monolayer: First-principles study

In our recent experimental work, we demonstrated that Ni thin film deposition can be used to tune the surface magnetic states in bulk CrI 3 . Here, we present the results of a computational study of Ni deposition on a CrI 3 monolayer. In particular, we compare structural, electronic, and magnetic properties of three different systems: a pristine CrI 3 monolayer, a CrI 3 monolayer with partial Ni coverage, and a CrI 3 monolayer with full Ni coverage. The corresponding cells used in our calculations are Cr 2 I 6 , Cr 2 I 6 Ni 1 , and Cr 2 I 6 Ni 3 . In Cr 2 I 6 Ni 1 , the Ni atom is positioned over the hollow site, which corresponds to the lowest energy configuration. In Cr 2 I 6 Ni 3 , the three Ni atoms are positioned over the single hollow site, and over the two Cr sites. Our calculations indicate that the partial coverage of CrI 3 monolayer with Ni retains the semiconducting nature of the parent compound, but results in a strong reduction of the energy band gap. At the same time, the full coverage of CrI 3 monolayer with Ni results in a metallic transition, with a highly spin-polarized (possibly half-metallic) electronic structure. The magnetic alignment of the CrI 3 monolayer with the deposited Ni is ferrimagnetic, due to the anti-aligned magnetic moments of Cr and Ni atoms. While the partial coverage of the CrI 3 monolayer with Ni has a moderate impact on the lattice parameter of the parent compound, full coverage by Ni results in a significant increase of the lattice constant. For both partial and full coverages, the lowest energy configuration corresponds to the Ni atoms being approximately aligned with the out-of-plane coordinate of the surface iodine layer. In addition, in the full coverage mode, the Cr layer exhibits a significant shift away from the Ni atoms, effectively “detaching” the Ni / I atomic layer from the rest of the cell.

2D magnetism↗