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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Crystal structure and shape selection in the growth of 3D metallic crystallites on layered materials: Fe on MoS 2

Nucleation and growth of supported 3D metal clusters or crystallites during deposition on MoS 2 , or on other weakly-adhering layered materials, can potentially produce diverse growth shapes, and even crystal structures differing from the bulk metal. For Fe deposition on MoS 2 , SEM and AFM observations reveal three distinct crystallite shapes. By comparison with atomistic structure models incorporating realistic Fe-MoS 2 interface structures, here we conclude that these are: triangular fcc(111) pyramids with sloped {100} side facets; bcc(110) A-frame tents with sloped {100} side facets; and bcc(110) mesas with vertical {100} and {110} side facets. The following picture is proposed for the competitive formation of clusters and crystallites with different structures: (i) small nanoclusters formed at the onset of deposition exhibit facile fluxional dynamics allowing sampling of different crystal structures and shapes; (ii) sufficient fluxionality implies a Boltzmann distribution of sampled structures, and thus coexistence of different structures follows from the demonstrated similar energies for those structures; (iii) growing clusters reach a threshold size above which the characteristic time scale for restructuring exceeds that for cluster growth. Thereafter, clusters are locked-in to a specific crystal structure and shape as revealed by imaging of larger crystallites. Despite a penalty for fcc(111) over bcc(111) pyramids based on bulk energetics, favorable surface and interface energies makes them preferable for smaller sizes.

36 MATERIALS SCIENCE↗
NASA NTRS1992

Microbiology operations and facilities aboard restructured Space Station Freedom

With the restructure and funding changes for Space Station Freedom, the Environmental Health System (EHS)/Microbiology Subsystem revised its scheduling and operational requirements for component hardware. The function of the Microbiology Subsystem is to monitor the environmental quality of air, water, and internal surfaces and, in part, crew health on board Space Station. Its critical role shall be the identification of microbial contaminants in the environment that may cause system degradation, produce unsanitary or pathogenic conditions, or reduce crew and mission effectiveness. EHS/Microbiology operations and equipment shall be introduced in concert with a phased assembly sequence, from Man Tended Capability (MTC) through Permanently Manned Capability (PMC). Effective Microbiology operations and subsystem components will assure a safe, habitable, and useful spacecraft environment for life sciences research and long-term manned exploration.

Cioletti, Louis A.↗
DOE OSTI2024

Corrosion and Enhanced Hydrogen Evolution in Electrochemical Reduction of Ammonium Carbamate on Transition Metal Surfaces

Experiments and theory are combined to search for catalyst activity and stability descriptors for the direct reactive capture and conversion (RCC) of CO 2 in ammonia capture solutions using Cu, Ag, Au, Sn, and Ti electrodes. Two major phenomena emerge in RCC that are not predominant in the electrochemical CO 2 reduction (CO 2 R) reaction, namely, the rapid corrosion and restructuring of the catalyst in the presence of the CO 2 -ammonia adducts and the promotion of the competing hydrogen evolution reaction (HER). The prevalence of HER in RCC is correlated to the electrostatic attraction of the protonated amine to the electrode and the repulsion of the captured CO 2 , using the potential of zero charge (PZC). The stability of catalysts under RCC conditions is a function of the applied potential and cannot be readily predicted using binding energy descriptors commonly used in the prediction of CO 2 R activity. Finally, a direct correlation between calculated binding energies of CO 2 R intermediates, atomic oxygen, hydrogen, and ammonia and the activity and stability of transition metals for RCC cannot be found, highlighting the need for descriptors beyond those known for CO 2 R.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2026

Ionic Precursors Transformed Into Vinyl Acetate Synthesis Catalyst via Reaction-Driven Restructuring

Conventional preparation of supported bimetallic catalysts relies on solution-mediated metal salt immobilization and pre-formation of alloy nanoparticles before reaction. Here, we report a fundamentally different synthesis strategy of using a physical mixture of salt precursors to generate an active catalyst during reaction. The catalytic structure is generated in situ from Pd3(OAc)6, Au(OH)3, and KOAc through H2 treatment and reaction-driven restructuring under vinyl acetate monomer (VAM) synthesis conditions. Ascertained from in situ X-ray diffraction and operando infrared spectroscopy analyses, reduction treatment produces segregated Pd and Au domains, and subsequent exposure to a VAM reaction mixture triggers dynamic extraction of Pd from the metal surface. This latter process, mediated by acetate-assisted redox cycles, facilitates Pd migration toward Au domains to form a near-surface localized Pd50Au50 alloy phase. Monometallic Pd domains serve as a reservoir of Pd to the alloy phase, leading to and sustaining a more Pd-enriched active surface and a higher population of accessible Pd sites, compared to a conventionally prepared K-PdAu/SiO2 catalyst. Consequently, this leads to a twofold increase in the VAM formation rate, demonstrating highly active bimetallic catalysts can be generated through the gas-phase treatment of physically mixed ionic precursors.

Cha, Byeong Jun [Rice University]↗
DOE OSTI2024

Steam‐Assisted Selective CO 2 Hydrogenation to Ethanol over Ru−In Catalysts

Abstract Multicomponent catalysts can be designed to synergistically combine reaction intermediates at interfacial active sites, but restructuring makes systematic control and understanding of such dynamics challenging. We here unveil how reducibility and mobility of indium oxide species in Ru‐based catalysts crucially control the direct, selective conversion of CO 2 to ethanol. When uncontrolled, reduced indium oxide species occupy the Ru surface, leading to deactivation. With the addition of steam as a mild oxidant and using porous polymer layers to control In mobility, Ru−In 2 O 3 interface sites are stabilized, and ethanol can be produced with superior overall selectivity (70 %, rest CO). Our work highlights how engineering of bifunctional active ensembles enables cooperativity and synergy at tailored interfaces, which unlocks unprecedented performance in heterogeneous catalysts.

Zhou, Chengshuang↗
NASA NTRS1982

Chemisorption of CO on particulate deposits of platinum

Morphology and CO chemisorption properties are studied as a function of particle size for the case of particulate Pt films, vapor-deposited onto ultrahigh vacuum-cleaved and heat-treated mica surfaces at a 200 C substrate temperature. The particles were found to be mostly irregular in shape and randomly-oriented, with two desorption peaks after CO absorption at 60 C: (1) an alpha peak, at 120 C, attributed to smooth particle surfaces, and (2) a beta peak, at about 175 C, attributed to particle edges and steps. Transmission electron microscopy showed that major changes occur in particle morphology during absorption-desorption cycling, so that the decrease in CO desorption flux may be interpreted as due to particle restructuring, rather than contamination by CO decomposition as in the cases of Ni or Pd on mica. Auger electron spectroscopy corroborates the lack of CO decomposition, even for the case of very small Pt particles.

Doering, D. L.↗
DOE OSTI2024

Steam-Assisted Selective CO 2 Hydrogenation to Ethanol over Ru–In Catalysts

Multicomponent catalysts can be designed to synergistically combine reaction intermediates at interfacial active sites, but restructuring makes systematic control and understanding of such dynamics challenging. In this work, we unveil how reducibility and mobility of indium oxide species in Ru-based catalysts crucially control the direct, selective conversion of CO 2 to ethanol. When uncontrolled, reduced indium oxide species occupy the Ru surface, leading to deactivation. With the addition of steam as a mild oxidant and using porous polymer layers to control In mobility, Ru–In 2 O 3 interface sites are stabilized, and ethanol can be produced with superior overall selectivity (70 %, rest CO). Our work highlights how engineering of bifunctional active ensembles enables cooperativity and synergy at tailored interfaces, which unlocks unprecedented performance in heterogeneous catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Restructuring of the Lewis Acid Sites in Y-Modified Dealuminated Beta-Zeolite by Hydrothermal Treatment

Yttrium-modified dealuminated Betazeolite (Y-BEA) represents a type of Lewis acid zeolite that has gained attention for its potential to efficiently catalyze the conversion of biomass-derived oxygenates. The structure of the Y active sites and their dynamics during biomass conversion reactions, which normally involve substantial amounts of water, necessitate thorough investigation for the rational design of more active and stable catalysts. Here, we conducted a study where a series of Y-BEA catalysts with different yttrium loadings (1–7 wt.%) were subjected to hydrothermal treatment (450 °C, 20% water) and investigated for their structural and catalytic activity changes through a combination of multiple characterizations and kinetic measurements. The number of acid sites of Y-BEA decreased without a change in acid strength following the hydrothermal treatment, which was confirmed by the results of acid site titration, infrared spectroscopy of probe molecules, and kinetic measurements for probe reactions (acetone aldol condensation). Structural analysis using X-ray diffraction (XRD), specific surface area measurement, X-ray absorption spectroscopy (XAS), and X-ray photoelectron spectroscopy (XPS) demonstrated that both the zeolite structure and the isolation status of the Y site remain intact after hydrothermal treatment. Further, the Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS) spectra, thermogravimetric analysis (TGA), and operando 1 H and 29 Si magic-angle spinning (MAS) nuclear magnetic resonance (NMR) revealed the dehydroxylation of Y-BEA induced by hydration-rearrangement-condensation restructuring during the high-temperature steam treatment. Dehydroxylation affects the structure of Y sites by reducing their vicinal silanol sites. In conclusion, this conversion of Lewis acidic Y sites into nonacidic sites is the primary factor behind the change in acid site quantity and catalytic activity on Y-BEA.

36 MATERIALS SCIENCE↗
NASA NTRS2012

Quasi-periodic Fast-mode Wave Trains Within a Global EUV Wave and Sequential Transverse Oscillations Detected by SDO-AIA

We present the first unambiguous detection of quasi-periodic wave trains within the broad pulse of a global EUV wave (so-called EIT wave) occurring on the limb. These wave trains, running ahead of the lateral coronal mass ejection (CME) front of 2-4 times slower, coherently travel to distances greater than approximately solar radius/2 along the solar surface, with initial velocities up to 1400 kilometers per second decelerating to approximately 650 kilometers per second. The rapid expansion of the CME initiated at an elevated height of 110 Mm produces a strong downward and lateral compression, which may play an important role in driving the primary EUV wave and shaping its front forwardly inclined toward the solar surface. The wave trains have a dominant 2 minute periodicity that matches the X-ray flare pulsations, suggesting a causal connection. The arrival of the leading EUV wave front at increasing distances produces an uninterrupted chain sequence of deflections and/or transverse (likely fast kink mode) oscillations of local structures, including a flux-rope coronal cavity and its embedded filament with delayed onsets consistent with the wave travel time at an elevated (by approximately 50%) velocity within it. This suggests that the EUV wave penetrates through a topological separatrix surface into the cavity, unexpected from CME-caused magnetic reconfiguration. These observations, when taken together, provide compelling evidence of the fast-mode MHD wave nature of the primary (outer) fast component of a global EUV wave, running ahead of the secondary (inner) slow component of CME-caused restructuring.

Solar Corona↗
DOE OSTI2023

Tracking Molecular Transport Across Oil/Aqueous Interfaces: Insight into “Antagonistic” Binding in Solvent Extraction

Liquid/liquid (L/L) interfaces play a key, yet poorly understood, role in a range of complex chemical phenomena where time-evolving interfacial structures and transient supramolecular assemblies act as gatekeepers to function. Here, for this study, we employ surface-specific vibrational sum frequency generation combined with neutron and X-ray scattering methods to track the transport of dioctyl phosphoric acid (DOP) and di-(2-ethylhexyl) phosphoric acid (DEHPA) ligands used in solvent extraction at buried oil/aqueous interfaces away from equilibrium. Our results show evidence for a dynamic interfacial restructuring at low ligand concentrations in contrast to expectation. These time-varying interfaces arise from the transport of sparingly soluble interfacial ligands into the neighboring aqueous phase. These results support a proposed “antagonistic” role of ligand complexation in the aqueous phase that could serve as a holdback mechanism in kinetic liquid extractions. These findings provide new insights into interfacially controlled chemical transport at L/L interfaces and how these interfaces vary chemically, structurally, and temporally in a concentration-dependent manner and present potential avenues to design selective kinetic separations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Maximum CO 2 diffusion inside leaves is limited by the scaling of cell size and genome size

Maintaining high rates of photosynthesis in leaves requires efficient movement of CO 2 from the atmosphere to the mesophyll cells inside the leaf where CO 2 is converted into sugar. CO 2 diffusion inside the leaf depends directly on the structure of the mesophyll cells and their surrounding airspace, which have been difficult to characterize because of their inherently three-dimensional organization. Yet faster CO 2 diffusion inside the leaf was probably critical in elevating rates of photosynthesis that occurred among angiosperm lineages. Here we characterize the three-dimensional surface area of the leaf mesophyll across vascular plants. We show that genome size determines the sizes and packing densities of cells in all leaf tissues and that smaller cells enable more mesophyll surface area to be packed into the leaf volume, facilitating higher CO 2 diffusion. Measurements and modelling revealed that the spongy mesophyll layer better facilitates gaseous phase diffusion while the palisade mesophyll layer better facilitates liquid-phase diffusion. Our results demonstrate that genome downsizing among the angiosperms was critical to restructuring the entire pathway of CO 2 diffusion into and through the leaf, maintaining high rates of CO 2 supply to the leaf mesophyll despite declining atmospheric CO 2 levels during the Cretaceous.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2015

Rapid, High-Resolution Detection of Environmental Change over Continental Scales from Satellite Data - the Earth Observation Data Cube

The effort and cost required to convert satellite Earth Observation (EO) data into meaningful geophysical variables has prevented the systematic analysis of all available observations. To overcome these problems, we utilise an integrated High Performance Computing and Data environment to rapidly process, restructure and analyse the Australian Landsat data archive. In this approach, the EO data are assigned to a common grid framework that spans the full geospatial and temporal extent of the observations - the EO Data Cube. This approach is pixel-based and incorporates geometric and spectral calibration and quality assurance of each Earth surface reflectance measurement. We demonstrate the utility of the approach with rapid time-series mapping of surface water across the entire Australian continent using 27 years of continuous, 25 m resolution observations. Our preliminary analysis of the Landsat archive shows how the EO Data Cube can effectively liberate high-resolution EO data from their complex sensor-specific data structures and revolutionise our ability to measure environmental change.

Lewis, Adam↗
DOE OSTI2023

Irradiation-enhanced Interactions at UO 2 /Al 2 O 3 /Al Interfaces

Combustion synthesis is used to prepare thin UO 2 films on aluminum alloy substrates. This simple preparation method involves electrospraying uranyl nitrate + acetylacetone + 2-methoxyethanol solution on the substrate, followed by a short annealing at 350 or 550 °C. The irradiation of films with a 40 Ar 2+ ion beam (energy of 1.7 MeV and fluences of 7.7 × 10 16 and 1.3 × 10 17 ions/cm 2 ) is conducted to investigate irradiation-induced restructuring processes. High-resolution transmission electron microscopy (TEM) and X-ray photoelectron spectroscopy (XPS) investigations show that the annealing temperature significantly influences the crystallinity and stability of materials during irradiation. A small amount of Mg in the alloy substrate diffuses into the amorphous Al 2 O 3 interfacial layer between the film and the substrate. Local thermal spikes from the incoming ions facilitate the irradiation-induced mixing of immiscible Al 2 O 3 and UO 2 for the materials prepared at 350 °C. This mass diffusion produces relatively large cavities at the interface. Selective diffusion of a more significant amount of Mg for the materials prepared at 550 °C suppresses the mixing of the Al 2 O 3 interlayer with the film but forms Mg y U 1–y O 2±x solid solutions during irradiation. Local thermal heating triggers the precipitation of a discontinuous crystalline MgO layer close to the film surface. As a result, the enhanced and selective diffusion of Mg into the film makes the materials prepared at 550 °C more robust and mechanically stable than those prepared at 350 °C.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1981

Self-adaptive predictor-corrector algorithm for static nonlinear structural analysis

A multiphase selfadaptive predictor corrector type algorithm was developed. This algorithm enables the solution of highly nonlinear structural responses including kinematic, kinetic and material effects as well as pro/post buckling behavior. The strategy involves three main phases: (1) the use of a warpable hyperelliptic constraint surface which serves to upperbound dependent iterate excursions during successive incremental Newton Ramphson (INR) type iterations; (20 uses an energy constraint to scale the generation of successive iterates so as to maintain the appropriate form of local convergence behavior; (3) the use of quality of convergence checks which enable various self adaptive modifications of the algorithmic structure when necessary. The restructuring is achieved by tightening various conditioning parameters as well as switch to different algorithmic levels to improve the convergence process. The capabilities of the procedure to handle various types of static nonlinear structural behavior are illustrated.

Padovan, J.↗
NASA NTRS1984

The evaluation of failure detection and isolation algorithms for restructurable control

Three failure detection and identification techniques were compared to determine their usefulness in detecting and isolating failures in an aircraft flight control system; excluding sensor and flight control computer failures. The algorithms considered were the detection filter, the Generalized Likelihood Ratio test and the Orthogonal Series Generalized Likelihood Ratio test. A modification to the basic detection filter is also considered which uses secondary filtering of the residuals to produce unidirectional failure signals. The algorithms were evaluated by testing their ability to detect and isolate control surface failures in a nonlinear simulation of a C-130 aircraft. It was found that failures of some aircraft controls are difficult to distinguish because they have a similar effect on the dynamics of the vehicle. Quantitative measures for evaluating the distinguishability of failures are considered. A system monitoring strategy for implementing the failure detection and identification techniques was considered. This strategy identified the mix of direct measurement of failures versus the computation of failure necessary for implementation of the technology in an aircraft system.

Motyka, P.↗
DOE OSTI2022

Grain Boundary‐Derived Cu + /Cu 0 Interfaces in CuO Nanosheets for Low Overpotential Carbon Dioxide Electroreduction to Ethylene

Abstract Electrochemical CO 2 reduction reaction can be used to produce value‐added hydrocarbon fuels and chemicals by coupling with clean electrical energy. However, highly active, selective, and energy‐efficient CO 2 conversion to multicarbon hydrocarbons, such as C 2 H 4 , remains challenging because of the lack of efficient catalysts. Herein, an ultrasonication‐assisted electrodeposition strategy to synthesize CuO nanosheets for low‐overpotential CO 2 electroreduction to C 2 H 4 is reported. A high C 2 H 4 Faradaic efficiency of 62.5% is achieved over the CuO nanosheets at a small potential of −0.52 V versus a reversible hydrogen electrode, corresponding to a record high half‐cell cathodic energy efficiency of 41%. The selectivity toward C 2 H 4 is maintained for over 60 h of continuous operation. The CuO nanosheets are prone to in situ restructuring during CO 2 reduction, forming abundant grain boundaries (GBs). Stable Cu + /Cu 0 interfaces are derived from the low‐coordinated Cu atoms in the reconstructed GB regions and act as highly active sites for CO 2 reduction at low overpotentials. In situ Raman spectroscopic analysis and density functional theory computation reveal that the Cu + /Cu 0 interfaces offer high *CO surface coverage and lower the activation energy barrier for *CO dimerization, which, in synergy, facilitates CO 2 reduction to C 2 H 4 at low overpotentials.

36 MATERIALS SCIENCE↗
NASA NTRS2019

Modeling a Carrington-Scale Stellar Superflare and Coronal Mass Ejection from K(exp 1) Cet

Observations from the Kepler mission have revealed frequent superflares on young and active solar-like stars. Superflares result from the large-scale restructuring of stellar magnetic fields, and are associated with the eruption of coronal material (a coronal mass ejection, or CME) and energy release that can be orders of magnitude greater than those observed in the largest solar flares. These catastrophic events, if frequent, can significantly impact the potential habitability of terrestrial exoplanets through atmospheric erosion or intense radiation exposure at the surface. We present results from numerical modeling designed to understand how an eruptive superflare from a young solar-type star, κ(exp 1)Cet, could occur and would impact its astrospheric environment. Our data-inspired, three- dimensional magnetohydrodynamic modeling shows that global-scale shear concentrated near the radial-field polarity inversion line can energize the closed-field stellar corona sufficiently to power a global, eruptive superflare that releases approximately the same energy as the extreme 1859 Carrington event from the Sun. We examine proxy measures of synthetic emission during the flare and estimate the observational signatures of our CME-driven shock, both of which could have extreme space-weather impacts on the habitability of any Earth-like exoplanets. We also speculate that the observed 1986 Robinson-Bopp superflare from κ(exp 1)Cet was perhaps as extreme for that star as the Carrington flare was for the Sun.

Lynch, Benjamin J.↗
NASA NTRS1991

Active control of sound radiation from a vibrating rectangular panel by sound sources and vibration inputs - An experimental comparison

Active control of sound radiation from a rectangular panel by two different methods has been experimentally studied and compared. In the first method a single control force applied directly to the structure is used with a single error microphone located in the radiated acoustic field. Global attenuation of radiated sound was observed to occur by two main mechanisms. For 'on-resonance' excitation, the control force had the effect of increasing the total panel input impedance presented to the nosie source, thus reducing all radiated sound. For 'off-resonance' excitation, the control force tends not significantly to modify the panel total response amplitude but rather to restructure the relative phases of the modes leading to a more complex vibration pattern and a decrease in radiation efficiency. For acoustic control, the second method, the number of acoustic sources required for global reduction was seen to increase with panel modal order. The mechanism in this case was that the acoustic sources tended to create an inverse pressure distribution at the panel surface and thus 'unload' the panel by reducing the panel radiation impedance. In general, control by structural inputs appears more effective than control by acoustic sources for structurally radiated noise.

Fuller, C. R.↗