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At least 901 records · Page 50

High Time Resolution Study of the Hemispheric Power Carried by Energetic Electrons Into the Ionosphere During the May 19-20, 1996, Auroral Activity

The UVI imager on board the POLAR satellite offers the opportunity to obtain high time resolution global auroral images. The spectral resolution of the imager is sufficient to separate the auroral emission from the scattered sunlight, even when the entire auroral zone is sunlit. The energy flux of the precipitating electrons is derived from the surface brightness through the LBH-long filter. Global images which have the dayglow removed are spatially integrated to yield the total hemispheric electron energy flux. This parameter, the hemispheric power, has found much application in ionospheric modeling. It can also be derived from electron spectra measured along the track of the NOAA/TIROS satellites that are combined with average empirical auroral precipitation patterns. We show that the hemispheric power input derived from the two-dimensional images represents a substantial improvement in the temporal variability of this parameter. We present an example for the period of 19/20 May 1996 by comparing power indices derived from NOAA/TIROS measurements with those derived from the UVI images.

Lummerzheim, D.↗

Corrosion behavior of ferritic FeCrAl alloys in simulated BWR normal water chemistry

Ferritic iron-chromium-aluminum (FeCrAl) alloys with varying Cr content were subjected to in-situ irradiation-corrosion with energetic protons or electron beams in pure water with various oxygen concentrations. Oxide microstructure and composition were characterized to compare the corrosion under irradiation with the thermal corrosion in the same water conditions. The dominant effect seems to be the production of H 2 O 2 at the surface by the intense proton and electron beams. The corrosion potential of FeCrAl under BWR-NWC condition is somewhat above the Cr 2 O 3 /CrO 4 2- phase boundary, oxidizing the Cr(III) to Cr(VI) in the outer part of the film, but with some Cr(III) remaining in the interior of the oxide. The beam increases the corrosion potential, significantly reducing Cr(III) content throughout the oxide. Finally, the crystallites on the surface, which form by re-precipitation from solution, do not contain Cr because at low potential Cr(III) is not soluble, and at high potential Cr(VI) is quite soluble.

36 MATERIALS SCIENCE↗

Resolving spatial and energetic distributions of trap states in metal halide perovskite solar cells

We report the profiling of spatial and energetic distributions of trap states in metal halide perovskite single-crystalline and polycrystalline solar cells. The trap densities in single crystals varied by five orders of magnitude, with a lowest value of 2 × 10 11 per cubic centimeter and most of the deep traps located at crystal surfaces. The charge trap densities of all depths of the interfaces of the polycrystalline films were one to two orders of magnitude greater than that of the film interior, and the trap density at the film interior was still two to three orders of magnitude greater than that in high-quality single crystals. Suprisingly, after surface passivation, most deep traps were detected near the interface of perovskites and hole transport layers, where a large density of nanocrystals were embedded, limiting the efficiency of solar cells.

14 SOLAR ENERGY↗

Geostationary operational environmental satellite /GOES/ - A multifunctional satellite

The GOES satellites are multifunctional satellites whose primary function is to provide continuous measurements of the earth's surface and atmosphere from two geostationary orbit locations: 75 deg W and 135 deg W. This objective is accomplished with the visible infrared spin scan radiometer Atmospheric Sounder (VAS), and the Space Environment Monitor (SEM), which includes three instruments: a magnetometer, solar X-ray sensor, and an energetic particle sensor, which monitor the near earth space environment. The satellite's communication system provides several user oriented functions, including: (1) Transmission of VAS data; (2) Transmission of SEM data; (3) Transponder capabilities for stretched VAS (SVAS) data, weather facsimile (WEFAX) data, and trilateration signals; (4) transponder capabilities for data collection platform interrogation and data collection platform reply.

Mallette, L. A.↗

Electrostatic protection of the solar power satellite and rectenna. Part 1: Protection of the solar power satellite

Several features of the interactions of the Solar Power Satellite (SPS) with its space environment are examined theoretically. The voltages produced at various surfaces due to space plasmas and the plasma leakage currents through the kapton and sapphire solar cell blankets are calculated. At geosynchronous orbit, this parasitic power loss is only 0.7%, and is easily compensated by oversizing. At low Earth orbit, the power loss is potentially much larger (3%), and anomalous arcing is expected for the EOTV high voltage negative surfaces. Preliminary results of a three dimensional self consistent plasma and electric field computer program are presented, confirming the validity of the predictions made from the one dimensional models. Lastly, magnetic shielding of the satellite is considered to reduce the power drain and to protect the solar cells from energetic electron and plasma ion bombardment. It is concluded that minor modifications can allow the SPS to operate safely and efficiently in its space environment. Subsequent design changes will substantially alter the basic conclusions.

Source record↗

Effects of Io ejecta on Europa

The effects of plasma ejected from Io on the nature and evolution of the surface of Europa and on the relative importance of the roles played by the two satellites in the Jupiter magnetosphere are examined. Observations of an ultraviolet absorption feature on the trailing side of Europa are interpreted as due to an equilibrium column density of SO2 in a steady-state model of the implantation of iogenic ions into the surface of Europa and their subsequent sputtering. The observed sulfur column density of 2 x 10 to the 16th/sq cm implies a slow loss of material from Europa, mainly water ice, and indicates that the spectrum of particles sputtered is soft. Considerations of the comparative roles of corotating and energetic heavy ions are shown to suggest that the implantation and sputtering is primarily the result of the proton and light ion component of the plasma. The weakness of Europa as a plasma source resulting from the soft sputtered particle spectrum thus leads to the dominance of Io in contributing to the magnetospheric plasma.

Eviatar, A.↗

Photochemical reactions of cyanoacetylene and dicyanoacetylene: Possible processes in Titan's atmosphere

Titan has an atmosphere which is subject to dramatic chemical evolution due mainly to the dramatic effect of the UV flux from the Sun. The energetic solar photons and other particles are converting the methane-nitrogen atmosphere into the unsaturated carbon compounds observed by the Voyager probes. These same solar photons are also converting some of these unsaturated reaction products into the aerosols observed in the atmosphere which obscure the view of the surface of Titan. In particular, the photochemical reactions of cyanoacetylene, dicyanoacetylene, acetylene and ethylene may result in the formation of the higher hydrocarbons and polymers which result in the aerosols observed in Titan's atmosphere. Polymers are the principal reaction products formed by irradiation of cyanoacetylene and dicyanoacetylene. Irradiation of cyanoacetylene with 185 nm of light also yields 1,3,5-tricyanobenzene while irradiation at 254 nm yields 1,2,4-tricyanobenzene and tetracyano cyclooctatetraenes. Photolyses of mixtures of cyanoacetylene and acetylene yields mono- and di- cyanobenzenes. The 1-Cyanocyclobutene is formed from the photochemical addition of cyanoacetylene with ethylene. The photolysis of dicyanoacetylene with acetylene yields 2,3-dicyano-1,3-butadiene and 1,2-dicyanobenzene. Tetracyano cyclooctatetraene products were also observed in the photolysis of mixtures of dicyanoacetylene and acetylene with 254 nm light. The 1,2-Dicyano cyclobutene is obtained from the photolysis dicyanoacetylene and ethylene. Reaction mechanisms will be proposed to explain the observed photoproducts.

Ferris, J. P.↗

Minimum Energy Pathways for Chemical Reactions

Computed potential energy surfaces are often required for computation of such parameters as rate constants as a function of temperature, product branching ratios, and other detailed properties. We have found that computation of the stationary points/reaction pathways using CASSCF/derivative methods, followed by use of the internally contracted CI method to obtain accurate energetics, gives useful results for a number of chemically important systems. The talk will focus on a number of applications to reactions leading to NOx and soot formation in hydrocarbon combustion.

Walch, S. P.↗

Exploring the Continuum of Stratiform and Cumulus Cloudiness: Observational Insights Related to Marine Boundary Layer Clouds

Low-level marine clouds take on a wide range of morphological states owing to external forcing and internal feedbacks. Rarely are shallow marine clouds adequately described by a single simplified framework but instead exhibit features that partially conform to several states that could be considered “limiting”. Perhaps the most apparent dichotomy is whether to consider shallow clouds as existing within a surface-driven mixed layer or as convective “plume” elements positioned on top. Do the rules that govern the limiting cases transition smoothly through the hybrid scenarios found in nature, or are there particular regions of attraction or repulsion?We have identified 3 ”axes” along which to investigate how the energetics, thermodynamics and cloud macro structure relate to the intermediate spaces between idealizations.

Ewan Crosbie↗

Thermomechanical phenomena in high speed rubbing

An analytical approach is presented for the modeling of the thermomechanical interactions which occur in high speed sliding situations. These sliding contact problems which are characterized by active and interrelated thermal and mechanical phenomena could be called 'rub energetics' problems. Analytical models were developed to simulate two different rub situations: high energy braking of disk brakes and high speed rubs of gas path seals in turbine engines. The models proved to be particularly useful in predicting the severe temperatures and deformations near hot contact patches on the rubbing surfaces. The size of the hot patches is generally determined by normal load and the properties of the contacting materials. Temperatures at the contact patches can approach the melting point of the materials, especially at high sliding velocities. These high temperatures can lead to large amounts of near-surface deformation and high wear rates. Decreased contact temperatures can result from using materials with increased thermal conductivity and increased heat capacity or choosing mechanical properties (decreased stiffness, yield stress or coefficient of thermal expansion) which give larger hot spot size.

Kennedy, F. E.↗

Calibration and performance of the energetic X-ray imaging telescope experiment

The final integration and testing of the Energetic X-ray Imaging Telescope Experiment (EXITE) are described. The detector and telescope as finally assembled are described, and problems as well as solutions are detailed. The preflight calibration of the position-sensitive NaI detector revealed unanticipated effects in the energy spectra. In particular, an effect due to surface roughness (lack of firm optical polishing) on the crystal was found and calibrated. The radial variation of gain and resolution in the detector was also measured, and so-called flat fielding methods have been derived to analyze the data. The integration of the EXITE detector and gondola systems is described. Several novel features were developed for the EXITE gondola, most notably a shock absorber system. The performance of the detector and gondola systems was evaluated on a first balloon flight from Australia (May 1988) and a second flight from Ft. Sumner, New Mexico (October 1988).

Braga, Joao↗

Computational and Experimental Study of Energetic Materials in a Counterflow Microgravity Environment

Counterflow diffusion flames are studied for various fuels flowing against decomposition products from solid ammonium perchlorate (AP) pellets in order to obtain fundamental understanding of composite propellant flame structure and chemistry. We illustrate this approach through a combined experimental and numerical study of a fuel mixture consisting of C2H4 CO + H2, and C2H2 + C2H4 flowing against solid AP. For these particular AP-fuel systems, the resulting flame zone simulates the various flame structures that are ex+ to exist between reaction products from Ap crystals and a hydrocarbon binder. As in all our experimental studies, quantitative species and temperature profiles have been measured between the fuel exit and AP surface. Species measured included CN, NH, NO, OH, N2, CO2, CO, H2, CO, HCl, and H2O. Temperature was measured using a thermocouple at the exit, spontaneous Raman scattering measurements throughout the flame, OH rotational population distributions, and NO vibrational population distributions. The burning rate of AP was also measured as a function of strain rate, given by the separation distance between the AP surface and the gaseous hydrocarbon fuel tube exit plane. This distance was nominally set at 5 mm, although studies have been performed for variations in separation distance. The measured 12 scalars are compared with predictions from a detailed gas-phase kinetics model consisting of 86 species and 531 reactions. Model predictions are found to be in good agreement with experiment and illustrate the type of kinetic features that may be expected to occur in propellants when AP particle size distributions are varied. Furthermore, the results constitute the continued development of a necessary database and validation of a comprehensive model for studying more complex AP-solid fuel systems in microgravity. Exploratory studies have also been performed with liquid and solid fuels at normal gravity. Because of melting (and hence dripping) and deep thermal wave penetration into the liquid, these experiments were found feasible, but not used for obtaining quantitative data. Microgravity experiments are needed to eliminate the dripping and boiling phenomena of these systems at normal gravity. Microgravity tests in the NASA Glenn 2.2 second drop tower were performed (1) to demonstrate the feasibility of performing propellant experiments using the NASA Glenn microgravity facilities, (2) to develop the operational procedures for safe handing of the energetic materials and disposal of their toxic combustion by-products and (3) to obtain initial measurements of the AP burning rate and flame structure under microgravity conditions. Experiments were conducted on the CH4/AP system previously studied at normal gravity using a modified design of the counterflow burner and a NASA Glenn Pig Rig, i.e., one of the existing drop rigs for general-purpose usage. In these experiments, the AP burning rate was measured directly with a linear variable differential transducer (LVDT) and video imaging of the flame structure was recorded ignition was achieved by hot wires stretched across the AP surfaces. Initial drop tower combustion data show that with the same burner separation distance and flow conditions of the normal gravity experiments, the AP burning rate is approximately a factor of two lower. This difference is likely a result of radiation effects, but further tests with longer test times need to be conducted to verify that steady state conditions were achieved under microgravity conditions.

Takahashi, Fumiaki↗

Mechanistic Study of the Li–Air Battery with a Co 3 O 4 Cathode and Dimethyl Sulfoxide Electrolyte

The lithium–air battery, a powerful competitor to replace the traditional lithium-ion battery, has attracted increasing attention due to its extremely high theoretical energy density. However, its development is limited by the cathode and electrolyte properties, which should include high stability, conductivity, and electrocatalytic properties in oxygen-rich environments. Here, we employ a systematic first-principles study of Li–O 2 discharge and charge reactions on the Co 3 O 4 -based cathode with the assistance of dimethyl sulfoxide (DMSO) electrolyte. The structure, stability, and electronic properties of different surface reconstructions of the Co 3 O 4 (100) facet are investigated. In addition, the mechanisms and thermodynamic overpotentials of multi-step reactions between Li + /e – and O 2 are provided, where lithium suboxide products (Li 2 O 2 or Li 3 O 2 ) are formed on the different Co 3 O 4 (100) terminations. The solvation shell of Li + components in explicit DMSO solvent is investigated through ab initio molecular dynamics simulations. In general, we find that the Co 3 O 4 (100)-O (oxidized) surface is the most stable one under standard conditions, and the stable Li + solvation structure is found in a tetrahedral Li(DMSO) 4 + shell in the DMSO-based electrolyte. Moreover, in the system of the Co 3 O 4 (100)-O cathode and DMSO electrolyte, the solution model pathway is energetically favorable for the Li–O 2 discharge reaction. It provides a low constant overpotential of 0.17 V during a long-term discharging process, thus causing the final toroid Li 2 O 2 formation on the cathode. During the charging process, an overpotential of 0.36 V is required to rapidly decompose Li 2 O 2 .

25 ENERGY STORAGE↗

Radio emission from Io

Radio observations of Io taken with the VLA at 2, 6, and 21 cm show flux densities of 11.6 + or - 0.2 mJy, and less than 0.5 mJy, respectively, where the latter is a 2 sigma upper limit. These flux densities correspond to Io disk brightness temperatures of T(b) (2 cm) = 98 + or - 17 K, T(b) (6 cm) = 85 + or - 16 K, and T(b) (21 cm) less than 400 K, respectively. These radio brightness temperatures are consistent with thermal emission expected from Io's surface on the basis of its infrared brightness temperature and its radio emissivity derived from radar studies. No evidence for nonthermal radio emission from Io is found, such as has been reported by Mingaliev et al (1979). By using a model for the generation of synchrotron emission at 21 cm by energetic electrons in a hypothetical Io magnetosphere, an upper limit of Io's dipole magnetic moment less than 2 x 10 to the 25th gauss/cu cm is found.

De Pater, I.↗

The Singlet–Triplet Gap of Cyclobutadiene: The CIPSI-Driven CC( P ; Q ) Study

An accurate determination of singlet−triplet gaps in biradicals, including cyclobutadiene in the automerization barrier region where one has to balance the substantial nondynamical many-electron correlation effects characterizing the singlet ground state with the predominantly dynamical correlations of the lowest-energy triplet, remains a challenge for many quantum chemistry methods. High-level coupled-cluster (CC) approaches, such as the CC method with a full treatment of singly, doubly, and triply excited clusters (CCSDT), are often capable of providing reliable results, but routine application of such methods is hindered by their high computational costs. We have recently proposed a practical alternative to converging the CCSDT energetics at small fractions of the computational effort, even when electron correlations become stronger and connected triply excited clusters are larger and nonperturbative, by merging the CC(P;Q) moment expansions with the selected configuration interaction methodology abbreviated as CIPSI. We demonstrate that one can accurately approximate the highly accurate CCSDT potential surfaces characterizing the lowest singlet and triplet states of cyclobutadiene along the automerization coordinate and the gap between them using tiny fractions of triply excited cluster amplitudes identified with the help of relatively inexpensive CIPSI Hamiltonian diagonalizations.

Basis sets↗

Interpreting Tafel behavior of consecutive electrochemical reactions through combined thermodynamic and steady state microkinetic approaches

Assessing the reaction pathway of multi-electron-transfer reactions is an essential yet difficult task for the rational design of electrocatalysts. In this work, we develop a heuristic approach that combines thermodynamic adsorption energetics calculated through density functional theory with microkinetic modeling using the steady state approximation to interpret the potential-dependent Tafel behavior of consecutive electrochemical reactions. In doing so, we introduce a kinetic framework for ab initio calculations that ensures self-consistent adsorption energetics based on kinetically limited adsorbate coverages. The approach is applied to experimental results on CoO x (OH) 2-x single crystal electrocatalyst particles yielding coverage dependent mechanistic information and identification of the rate-limiting step with standard rate constants for the oxygen evolution reaction on the ($11\bar{2}0$) surfaces of the β-Co(OH) 2 , β-CoOOH, and CoO 2 bulk phases. Finally, this generalizable method enables catalyst benchmarking based on determining the active species involved and associated intrinsic reaction rate constants in consecutive multi-electron-transfer reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Magnetospheric mapping with quantitative geomagnetic field models

The Mead-Fairfield geomagnetic field models were used to trace field lines between the outer magnetosphere and the earth's surface. The results are presented in terms of ground latitude and local time contours projected to the equatorial plane and into the geomagnetic tail. With these contours various observations can be mapped along field lines between high and low altitudes. Low altitudes observations of the polar cap boundary, the polar cusp, the energetic electron trapping boundary and the sunward convection region are projected to the equatorial plane and compared with the results of the model and with each other. The results provide quantitative support to the earlier suggestions that the trapping boundary is associated with the last closed field line in the sunward hemisphere, the polar cusp is associated with the region of the last closed field line, and the polar cap projects to the geomagnetic tail and has a low latitude boundary corresponding to the last closed field line.

Fairfield, D. H.↗

Gamma rays from grazing incidence cosmic rays in the earth's atmosphere

Interactions of grazing incidence, ultra high-energy cosmic rays with the earth's atmosphere may provide a new method of studying energetic cosmic rays with gamma-ray satellites. It is found that these cosmic ray interactions may produce gamma-rays on millisecond timescales which may be detectable by satellites. An extremely low gamma-ray background for transient gamma-ray events and a large area of interaction, the earth's surface, make the scheme plausible. The effective cross section of detection of interactions for cosmic rays above 10(exp 20) eV is found to be more than two orders of magnitude higher than Earth-based detection techniques. This method may eventually offer an efficient way of probing this region of the cosmic-ray energy spectrum where events are scarce. In this paper, a conceptual model is presented for the production of short bursts of gamma-rays based on these grazing incidence encounters with the Earth's atmosphere.

Ulmer, Andrew↗