Correlating Optical and Structural Properties of CO on Transition Metal Surfaces
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36 MATERIALS SCIENCE↗
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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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Unveiling the Structure and Dynamics of Water Confined in Colloidal Boehmite Suspensions
Thin fluid layers confined between nanoparticles play an important role in several natural and industrial systems, including radioactive wastes stored in tanks at the U.S. Department of Energy’s Hanford site. Multimodal neutron and computational approaches have been integrated to examine the properties of one, two, and four layers of water (H 2 O or D 2 O) on nanoparticulate, hydrous, or deuterated boehmite (γ-AlOOH or γ-AlOOD). Exposure of deuterated boehmite to H 2 O at 90 °C yielded rapid H/D isotopic exchange likely driven by a Grotthus-like proton-hopping mechanism. The in-plane and out-of-plane vibrations of the structural hydroxyls involved in this exchange were observed for both the hydrated and deuterated boehmite. These observations were confirmed by molecular dynamics simulations that also showed that single water molecules on the (010) surface bond to the structure via four bonds: two from hydrogens (deuteriums) on the water to surrounding oxygens and two from the water’s oxygen to surrounding OD/OH. Bulk water-like properties began to appear once four monolayers of water had been added, but steric crowding limited water diffusion rates once two monolayers had been added. The super-Arrhenius temperature dependence observed at four monolayers indicated glass-like behavior in a well-formed hydrogen-bonding network. Such a network is not sufficiently developed, however, when the surface water coverage is less than four layers. In conclusion, the unique nature of these layers can provide critical information for understanding forces between particles in proximity, and resultant effects on suspension rheology.
Anovitz, Lawrence M. [Oak Ridge National Laborator↗
Catalytic Resonance Theory: Turnover Efficiency and the Resonance Frequency
Programmable catalysts exhibiting forced oscillation in the free energy of reacting surface species were simulated to understand the general mechanisms leading to efficient use of the input energy. Catalytic ratchets with either positive or negative adsorbate scaling exhibited oscillation conditions of both high and low turnover efficiency, yielding catalytic turnover frequencies either close to or significantly lower than the applied catalyst oscillation frequency, respectively. The “effective rate”, defined as the product of the catalytic turnover frequency and the turnover efficiency (ηTOE), was limited via two catalytic mechanisms: a leaky catalytic ratchet existed when molecules repeatedly traversed backward through the catalytic transition state upon catalyst oscillation, while a catalytic ratchet with low surface participation exhibited reduced formation of a gas-phase final product due to low surface product coverage. Furthermore, a single applied frequency yielding a maximum effective catalytic rate defined as the “resonance frequency” provided maximum combined benefit for catalytic rate and efficiency.
25 ENERGY STORAGE↗
A U.S. Scientific Community Vision for Sustained Earth Observations of Greenhouse Gases to Support Local to Global Action
Managing carbon stocks in the land, ocean, and atmosphere under changing climate requires a globally‐integrated view of carbon cycle processes at local and regional scales. The growing Earth Observation (EO) record is the backbone of this multi‐scale system, providing local information with discrete coverage from surface measurements and regional information at global scale from satellites. Carbon flux information, anchored by inverse estimates from spaceborne Greenhouse Gas (GHG) concentrations, provides an important top‐down view of carbon emissions and sinks, but currently lacks global continuity at assessment and management scales (<100 km). Partial‐column data can help separate signals in the boundary layer from the overlying atmosphere, providing an opportunity to enhance surface sensitivity and bring flux resolution down from that of column‐integrated data (100–500 km). Based on a workshop held in September 2024, the carbon cycle community envisions a carbon observation system leveraging GHG partial columns in the lower and upper troposphere to weave together information across scales from surface and satellite EO data, and integration of top‐down/bottom‐up analyses to link process understanding to global assessment.
Parazoo, Nicholas C. [California Institute of Tech↗
Materials descriptors for advanced water dissociation catalysts in bipolar membranes
The voltage penalty driving water dissociation (WD) at high current density is a major obstacle in the commercialization of bipolar membrane (BPM) technology for energy devices. Here, in this study, we show that three materials descriptors, that is, electrical conductivity, microscopic surface area and (nominal) surface-hydroxyl coverage, effectively control the kinetics of WD in BPMs. Using these descriptors and optimizing mass loading, we design new earth-abundant WD catalysts based on nanoparticle SnO 2 synthesized at low temperature with high conductivity and hydroxyl coverage. These catalysts exhibit exceptional performance in a BPM electrolyser with low WD overvoltage (η wd ) of 100 ± 20 mV at 1.0 A cm -2 . The new catalyst works equivalently well with hydrocarbon proton-exchange layers as it does with fluorocarbon-based Nafion, thus providing pathways to commercializing advanced BPMs for a broad array of electrolysis, fuel-cell and electrodialys is applications.
Sasmal, Sayantan↗
On the origin of multihole oxygen evolution in haematite photoanodes
The oxygen evolution reaction (OER) plays a crucial role in (photo)electrochemical devices that use renewable energy to produce synthetic fuels. Recent measurements on semiconducting oxides have found a power law dependence of the OER rate on surface hole density, suggesting a multihole mechanism. In this study, using transient photocurrent measurements, density functional theory simulations and microkinetic modelling, we have uncovered the origin of this behaviour in haematite. We show here that the OER rate has a third-order dependence on the surface hole density. We propose a mechanism wherein the reaction proceeds by accumulating oxidizing equivalents through a sequence of one-electron oxidations of surface hydroxy groups. The key O–O bond formation step occurs by the dissociative chemisorption of a hydroxide ion involving three oxyl sites. At variance with the case of metallic oxides, the activation energy of this step is weakly dependent on the surface hole coverage, leading to the observed power law.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Epitaxial registry and transport properties in V4O7 thin films
We report the growth of V4O7 thin films deposited simultaneously on amorphous SiO2 and crystalline c-cut Al2O3 substrates. x-ray diffraction shows that films grown on SiO2 are polycrystalline with no preferred orientation, while films grown on Al2O3 exhibit a well-defined out-of-plane orientation and an in-plane registry consistent with epitaxial growth. Transmission electron microscopy confirms the crystallographic relationship between the V4O7 film and the Al2O3 substrate. Atomic force microscopy indicates substantially lower surface roughness for films grown on Al2O3 (~6 nm) compared to those grown on SiO2 (~22 nm), and Raman spectroscopy confirms stabilization of the same V4O7 phase on both substrates. Electrical transport measurements reveal a metal–insulator transition near 244 K for both substrates, with thermal hysteresis not exceeding ~1 K. Although the transition temperature remains essentially unchanged, films grown on Al2O3 exhibit higher conductivity over the entire temperature range, exceeding that of films grown on SiO2 by approximately two orders of magnitude at 100 K and by a factor of five at 300 K. These results indicate that the conductivity differences are consistent with variations in microstructural connectivity associated with crystallographic order.
36 MATERIALS SCIENCE↗
Crystallographic registry in epitaxial V3O5 thin films
Crystallographic orientation plays a central role in determining transport properties in correlated oxides with low-hysteresis metal–insulator transitions. Here, V3O5 thin films were grown on Al2O3 (0001) and their crystallographic registry was evaluated using x-ray diffraction and cross-sectional transmission electron microscopy. θ–2θ measurements show a single out-of-plane orientation defined by the (202) reflection. Azimuthal φ-scans of the V3O5 (310) reflection exhibit twelve discrete maxima over 360°, indicating a finite set of in-plane orientations imposed by the substrate symmetry. High-resolution TEM and fast Fourier transform analysis confirm crystallographic coherence at the film–substrate interface. The electrical conductivity exhibits a metal–insulator transition at TMIT ≈ 423 K with no measurable thermal hysteresis and a total change of ~1.6 orders of magnitude between 300 and 480 K. These results establish crystallographic registry in epitaxial V3O5 thin films and provide a structurally well-defined system for future studies of orientation-dependent transport.\r\nT
36 MATERIALS SCIENCE↗
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↗
Comparison of animal and human blood for in vitro dynamic thrombogenicity testing of biomaterials
Abstract Background To determine suitable alternatives to human blood for in vitro dynamic thrombogenicity testing of biomaterials, four different animal blood sources (ovine, bovine, and porcine blood from live donors, and abattoir porcine blood) were compared to fresh human blood. Methods To account for blood coagulability differences between individual donors and species, each blood pool was heparinized to a donor‐specific concentration immediately before testing in a dynamic flow loop system. The target heparin level was established using a static thrombosis pre‐test. For dynamic testing, whole blood was recirculated at room temperature for 1 h at 200 ml/min through a flow loop containing a single test material. Four materials with varying thrombotic potentials were investigated: latex (positive control), polytetrafluoroethylene (PTFE) (negative control), silicone (intermediate thrombotic potential), and high‐density polyethylene (HDPE) (historically thromboresistant). Thrombus weight and surface area coverage on the test materials were quantified, along with platelet count reduction in the blood. Results While donor‐specific heparin levels varied substantially from 0.6 U/ml to 7.0 U/ml among the different blood sources, each source was able to differentiate between the thrombogenic latex and the thromboresistant PTFE and HDPE materials ( p < 0.05). However, only donor ovine and bovine blood were sensitive enough to differentiate an increased response for the intermediate thrombotic silicone material compared to PTFE and HDPE. Conclusions These results demonstrated that multiple animal blood sources (particularly donor ovine and bovine blood) may be suitable alternatives to fresh human blood for dynamic thrombogenicity testing when appropriate control materials and donor‐specific anticoagulation levels are used.
Engineering↗
Quantifying Negative Effects of Carbon-Binder Networks from Electrochemical Performance of Porous Li-Ion Electrodes
Porous Li-ion electrodes contain active particles, ion transporting electrolyte, and carbon-binder networks. While macrohomogeneous models are often used to predict electrode behavior, accurate predictions remain challenging, owing to the incomplete understanding of the critical role of carbon-binder networks and how they affect the electrochemical response. The present study systematically characterizes these effects in terms of effective properties by utilizing macrohomogeneous models to analyze the measured responses for electrodes with different carbon-binder content, electrode thickness, and porosity but with identical materials. We find that the impact of the carbon-binder network is more severe than previously thought. Even for low carbon-binder content (5 %wt. dry electrode), the presence of the network decreases the reaction area and increases the ion transport resistance, negatively impacting electrode performance. These effects scale with not just porosity or active material volume but also with carbon-binder content. The findings underscore the importance of connecting all effective properties to electrode specifications in a full factorial sense to transform the electrode design paradigm.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Mariner Mars 1969. Approach and Near Encounter Sequence of Events - Press Kit
Press kit for Mariner 6 and Mariner 7 Mars flyby missions and TV coverage of surface
Source record↗
The use of ERTS imagery in reservoir management and operation
There are no author-identified significant results in this report. Preliminary analysis of ERTS-1 imagery suggests that the configuration and areal coverage of surface waters, as well as other hydrologically related terrain features, may be obtained from ERTS-1 imagery to an extent that would be useful. Computer-oriented pattern recognition techniques are being developed to help automate the identification and analysis of hydrologic features. Considerable man-machine interaction is required while training the computer for these tasks.
Cooper, S.↗
Evaluation and comparisons of recent geopotential solutions
A statistical evaluation of some of the recent satellite determined gravity models, including some with distinct data base, indicates that the geopotential coefficients of these models are individually meaningful for frequencies with wave numbers n = 2 through 7 certainly and wave numbers n = 8 through 10 probably. Geopotential coefficients in higher frequency ranges while apparently important for computing accurate satellite orbits seem to have little geophysical significance in an individual sense. Differences between various gravity models and those satellite purely between determined geopotential models and their associated combination models show no consistent relationship to surface gravimetric coverage. Additional classical tracking data are important in improving the existing description of the earth's gravity field but their contribution in extending its frequency range beyond what is now available is uncertain.
Khan, M. A.↗
Mission and sensor concepts for coastal and ocean monitoring using spacecraft and aircraft
A concept developed for a 1990 oceanic mission which places strong emphasis on coastal monitoring needs is described and analysed. The concept assumes that use of one active spacecraft in orbit and one on standby plus airplanes and data collection platforms which provide continuing complementary coverage and surface truth. The coastal measurement requirements and goals, the prospective oceanic and coastal sensors, the spacecraft and aircraft data platforms, and the prospective orbit designs are discussed.
Darnell, W. L.↗
Aerospace remote sensing of the coastal zone for water quality and biotic productivity applications
Remote sensing can provide the wide area synoptic coverage of surface waters which is required for studies of such phenomena as river plume mixing, phytoplankton dynamics, and pollutant transport and fate, but which is not obtainable by conventional oceanographic techniques. The application of several remote sensors (aircraftborne and spacecraftborne multispectral scanners, passive microwave radiometers, and active laser systems) to coastal zone research is discussed. Current measurement capabilities (particulates, chlorophyll a, temperature, salinity, ocean dumped materials, other pollutants, and surface winds and roughness) are defined and the results of recent remote sensing experiments conducted in the North Atlantic coastal zone are presented. The future development of remote sensing must rely on an integrated laboratory research program in optical physics. Recent results indicate the potential for separation of particulates into subsets by remote sensors.
Pritchard, E. B.↗
New measurements of photospheric magnetic fields in late-type stars and emerging trends
The magnetic fields of late-type stars are measured using the method of Saar et al. (1986). The method includes radiative transfer effects and compensation for line blending; the photospheric magnetic field parameters are derived by comparing observed and theoretical line profiles using an LTE code that includes line saturation and full Zeeman pattern. The preliminary mean active region magnetic field strengths (B) and surface area coverages for 20 stars are discussed. It is observed that there is a trend of increasing B towards the cooler dwarfs stars, and the linear correlation between B and the equipartition value of the magnetic field strength suggests that the photospheric gas pressure determines the photospheric magnetic field strengths. A tendency toward larger filling factors at larger stellar angular velocities is also detected.
Saar, S. H.↗
The time evolution of magnetic fields on solar-like stars
Magnetic fields play a crucial role in governing the rotational evolution of solarlike stars. Techniques for measuring stellar magnetic fields are reviewed, and the most recent determinations of magnetic-field strengths and surface-area coverages on cool stars are analyzed for correlations with age. Tentative evidence for a decrease in magnetic flux with age is found, primarily caused by a reduction in the magnetic area filling factor with time.
Saar, Steven H.↗