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The bonding in Cr(NO)4 is very ionic, with about 1.5 electrons donated from the Cr to the NO 2pi orbitals. There is also a NO sigma donation of about 0.5 electrons to the Cr, yielding a net charge of Cr of about 1. A large MCSCF expansion is needed to describe both the ionic and covalent contributions to the Cr 3d-NO 2pi bonding. This bonding is compared to that in the isoelectronic Ni(CO)4.
A calculation of the atomic parameters of the seven-electron ion Ne IV yields radiative rates A(ki) and distorted-wave collision strengths Omega (ki) between 72 levels of the six configurations 2s2 2p3, 2s2p4, 2p5, 2p2 3s, 2p2 3p, and 2p2 3d. These are used to obtain expected line intensities for quiet, active, and flare solar conditions. Comparisons are made with available solar observations. Good agreement is found, including observed density-sensitivity in the case of the multiplet at 469.8 A. The atomic radiative rates are separately compared with laboratory beam-foil measurements and are shown to be in reasonable agreement with the latter.
The ionization created in the earth's upper atmosphere by an electron beam emitted from a low altitude spacecraft is described by two coupled nonlinear differential electron transport equations for the up-going and down-going differential energy flux. The equations are solved numerically, yielding estimates of the differential electron energy flux density at the spacecraft location. At altitudes below 200-250 km and for beam energies around 1 keV, it is shown that secondary electrons supply a significant contribution to the return current to the spacecraft and thereby reduce the spacecraft potential. The numerical results are in good agreement with observations from the Charge 2 sounding rocket experiment.
It is pointed out that Gurzadyan's (1988) fast-electron hypothesis for stellar flares encounters certain difficulties. The origin of the fast electrons is obscure. Negative flares and predicted ratios of X-ray to optical fluxes are not necessarily a proof of the fast-electron hypothesis. When the electrons thermalize, they will yield X-ray fluxes which are orders of magnitude too large to be consistent with observations.
Antarctic micrometeorites (AMM's) have similarities (but also differences) with primitive meteorites, such as unequilibrated mineral assemblages. To further assess such similarities, we have measured the carbon content of micrometeorites and meteorites (Orgueil and Murchison), as determined in a random selection of micrometer-size crushed grain, with an analytical transmission electron microscope. Such analyses yield the C/O atomic ratio, the major and minor elements contents, and the textural features of the grains on a scale of approx. equal to 100 nanometers. An important proportion of micrometeorites from both the 100-400 micron and the 50-100 micron size fractions contains much more carbon than CI chondrite Orgueil. The average C-content of all micrometeorites in these two size fractions amount to approximately 1.8 x CI, and approximately 0.8 x CI, respectively (CI refers to the bulk C-content of Orgueil, of about 3.5 percent by weight). Carbon is usually not homogeneously distributed in the micrometeorite but is concentrated in C-rich grains. So far, most of these grains are amorphous, and seem to be associated with an oxidized Fe-rich phase (possibly a variety of 'dirty' magnetite). About 5 percent of them have the composition of 'COPS', a phase additionally enriched in O, P, and S.
We present flux-calibrated profiles of the (Fe II) 1.53 and 1.64 micron lines in five pre-main-sequence stars, PV Cep, V1331 Cyg, R Mon, and DG and HL Tau. The line centroids are blueshifted in all five sources, and four of the five have only blueshifted flux. In agreement with previous studies, we attribute the line asymmetries to local obscuration by dusty circumstellar disks. The absence of redshifted flux implies a minimum column density of obscuring material. The largest limit, N(sub H) greater than 3 x 10(exp 22)/sq cm, derived for V1331 Cyg, suggests disk surface densities greater than 0.05 g/sq cm and disk masses greater than 0.001 solar mass within a radius of approximately 200 AU. The narrow high-velocity lines in PV Cep, V1331 Cyg, and HL Tau require formation in well collimated winds. The maximum full opening angles of their winds range from less than 20 deg in V1331 Cyg to less than 40 deg in HL Tau. The (Fe II) data also yield estimates of the electron densities (n(sub e) approximately 10(exp 4)/cu cm), hydrogen ionization fractions (f(sub H(+)) approximately 1/3), mass-loss rates (approximately 10(exp -7) to 2 x 10(exp -6) solar mass/yr), and characteristic radii of the emitting regions (approximately 32 to approximately 155 AU). The true radial extents will be larger, and the mass-loss rates smaller, by factors of a few for the outflows with limited opening angles. In our small sample the higher mass stars have stronger lines, larger emitting regions, and greater mass-loss rates. These differences are probably limited to the scale and energetics of the envelopes, because the inferred geometries, kinematics and physical conditions are similar. The measured (Fe II) profiles samples both 'high'- and 'low'-velocity environments. Recent studies indicate that these regions have some distinct physical properties and may be spatially separate. The (Fe II) data show that similar sizes and densities can occur in both environments.
Although the existence of the critical ionization velocity (CIV) is known from laboratory experiments, no agreement has been reached as to whether CIV exists in the natural space environment. In this paper we move towards more realistic models of CIV and present the first fully three-dimensional, electromagnetic particle-in-cell Monte-Carlo collision (PIC-MCC) simulations of typical space-based CIV experiments. In our model, the released neutral gas is taken to be a spherical cloud traveling across a magnetized ambient plasma. Simulations are performed for neutral clouds with various sizes and densities. The effects of the cloud parameters on ionization yield, wave energy growth, electron heating, momentum coupling, and the three-dimensional structure of the newly ionized plasma are discussed. The simulations suggest that the quantitative characteristics of momentum transfers among the ion beam, neutral cloud, and plasma waves is the key indicator of whether CIV can occur in space. The missing factors in space-based CIV experiments may be the conditions necessary for a continuous enhancement of the beam ion momentum. For a typical shaped charge release experiment, favorable CIV conditions may exist only in a very narrow, intermediate spatial region some distance from the release point due to the effects of the cloud density and size. When CIV does occur, the newly ionized plasma from the cloud forms a very complex structure due to the combined forces from the geomagnetic field, the motion induced emf, and the polarization. Hence the detection of CIV also critically depends on the sensor location.
Well-characterized sulfide reference materials that can serve as matrix-matched calibrants for in-situ trace element analyses via laser ablation inductively coupled plasma mass spectrometry (LA-ICP-MS) remain elusive. Here, we describe the creation an in-house sulfide standard at NASA JSC that will be used to measure siderophile and chalcophile trace elements in low pressure experimental products, specifically pentlandite ([FeNi]9S8) and pyrrhotite ([FeNi]1-xS), as well as natural sulfides in terrestrial and meteoritic mineral assemblages. Recent methods in creating a homogenous sulfide standard include pressed pellets, synthesized chips, or fused glass [e.g. 1-3]. Other studies, however, have had success in forming homogenous FeS standards via synthesization methods [e.g. 4-6]. We present a variation of the method described in [4], in which we create a pyrrhotite standard doped with a variety of trace elements (Zn, As, Se, Mo, Ru, Rh, Pd, Sn, Sb, Te, W, Os, Ir, Pt, Au) at ~10-40 ppm and Cu at ~200 ppm. Sulfide compositions were constructed using Fe and Ni metal and elemental sulfur powders. Trace elements were added to elemental sulfur from Atomic Absorption Spectroscopy (AAS) elemental standards as either nitrate or chloride solutions to prevent oxidation of the metal powders. The dried sulfur mixture was mixed with Fe and Ni powders and mechanically mixed before two aliquots were placed in separate SiO2 tubes. Each tube was held under vacuum for ~30 minutes, sealed under vacuum, and then heated at 800C for 48 hours. Like [4], the synthesis products were composed of pourous sulfide crystals. Major element analyses of both experimental aliquots, collected using an Electron Probe Microanalyser (EPMA), yield indistinguishable major element compositions (uncertainties in 2SE & 2RSE[%]), with an average of 57.90 0.09 (0.16 %), 4.95 0.03 (0.55 %), and 39.70 0.14 (0.34 %), for Fe, Ni, and S, respectively. Trace element data were measured using a Photon Machines 193nm laser ablation system coupled to a Thermo-Scientific Element-XR ICP-MS. Spot sizes were limited to 50 μm due to the porous nature of the sulfide target material. Trace element abundances, normalized to Fe as an internal standard, were also found to be homogenous between the two aliquots, with weighted mean 2RSE (%) values of <3.0 for all trace elements. Synthesized products were re-powdered and absolute concentrations measured via solution ICP-MS. Although the sulfide appears to be homogenous, sintering experiments will be performed to more closely match the standard density to natural sulfides and minimize differences in ablation behavior. Improved density also allows for higher sensitivity (i.e. more compact target material) and larger spot sizes or traverses, as void space is eliminated. Additional major and trace element analyses on the products of the sintering experiments will be undertaken.
Lithium-sulfur batteries are emerging candidate systems for the next-generation long-range electric aircraft application owing to their potential to deliver high energy density per weight. Their cathodes are to be made primarily with sulfur, but sulfur by itself has much too low electron conductivity to serve as a useful cathode. An idea that has been suggested to overcome this bottleneck is to alloy sulfur with selenium in the hope that electron mobility, which is thought to improve charge transport at some expense of increased weight and reduced energy density. However, understanding of these alloy structures and their transport mechanism is insufficient, and electron mobility at varying degrees of selenium content is not well charted, which are critical for determining the optimum selenium content and testing whether this strategy is generally feasible. The difficulty of computationally characterizing these alloy systems is rooted in the structure. The structures of both sulfur and selenium exhibit eight-atom rings that pack together in various orientations to form their respective crystals. For one, because these crystals (and presumably their alloys as well) feature multiple polymorphs such that their structural coherence is rather unclear. Secondly, these are also relatively large systems (32 atoms per cell) with low-symmetry, which complicate computation both in terms of accuracy and efficiency. Thirdly, such semi-molecular, semi-crystalline structures lead to a combination of band-transport characteristics and hopping-transport characteristics, each of which is a domain with its own physics and set of computational, theoretical challenges. In addition, there is a general dearth of experimental transport data for sulfur-selenium alloys. In this study, we make a comprehensive attempt to tackle this problem using a wide array of first-principles methods. We generate special quasirandom structures to simulate alloy structures, and compute their first-principles Raman spectra for comparison with experimental data to ensure their structural soundness. We then proceed to use recently developed, state-of-the-art tool (AMSET) in order to efficiently compute electronic mobilities under band transport of pure sulfur, pure selenium, as well as their alloys of various compositions at a reasonable accuracy. We then sample numerous dimer configurations of nearest-neighbor eight-atom-ring-pairs and compute electronic hopping rates between them, which yields hopping mobility. A combination of these efforts lead to a general mapping of electron transport behaviors throughout the alloy range. Preliminary results show that introduction of selenium into sulfur initially damages electron mobility due to disorder but eventually improves it beyond that of pure sulfur with additional selenium content, ultimately peaking at the pure-selenium limit. Band transport dominates for holes in sulfur and electrons in selenium, but in all other cases, hopping transport is dominant. Ongoing efforts include determination of charge concentration and conductivity, as well as performing multiphysics modeling to determine the optimum selenium content for best tradeoff between conductivity and energy density for aircraft range.
Theoretical steady state semikinetic polar wind density profiles, based on DE1/RIMS polar wind data (up to 3700 km), were obtained which agree very well with the power law electron density profile measured by the DE1/PWI for high altitudes. The polar wind is found to be O(+) dominated for the full altitude range considered (up to 8 R(E)). Multiple solutions are obtained for various combinations of base altitude ion temperatures and electron temperatures, such that the densities fit the Persoon et al. (1983) profile. For example, good fits to measured density profile are found for low base ion temperatures (5000 K) and high electron temperatures (9000 K), and also for unheated H(+) and O(+)(3000 K) with electron temperatures of 11,000 K. Below 2.8 R(E) the theoretical polar wind density deviates somewhat from the r exp -3.85 power law. It is concluded that this theoretical polar wind density profile, with a sum of base electron and ion temperatures of 14,000 K, yields a close match with the measured DE-1 electron density profile.
Cross sections and kinematic distributions for the trident production process plus or negative muon plus charge yields plus or minus muon plus electron plus positron plus charge (with charge = dipion moment and Fe) are given for beam energies of 100 to 300 GeV at fixed (electron positron) masses from 5 to 15 GeV. This process is interesting as a test of quantum electrodynamics at high energies, and in particular as a test of the form of the photon propagator at large timelike (four-momentum) squared. For this purpose, it is desirable to impose kinematic cuts that favor those Bethe-Heitler graphs which contain a timelike photon propagator. It is found that there are substantial differences between the kinematic distributions for the full Bethe-Heitler matrix element and the distributions for the two timelike-photon graphs alone; these differences can be exploited in the selection of appropriate kinematic cuts.
The concepts and computational tools of theortical chemistry are used to investigate molecular properties needed in direct solar-pumped lasers. Compounds of the type RR'CXY, with R and R' organic groups, and X and Y halide atoms were identified as likely candidates because of their highly enhanced absorption coefficients over compounds with a single halide atom. The use of a combination of vibrational excitation followed by electronic excitation to enhance quantum yields at certain wavelengths is indicated. A self-consistent eikonal approximation to state-to-state transitions was tested for CH3I and is useful for other problems involving electronic energy and charge transfer. An approach to calculate potential energy surfaces and transition dipoles was developed which is based on the generation of eigenstates of the nonrelativisitc Hamiltonian followed by incorporation of the spin-orbit coupling by configuration interaction.
Models of the shock layer encountered by an Aeroassisted Orbital Transfer Vehicle require as input accurate cross sections and rate constants for the atomic and molecular processes that characterize the shock radiation. From the estimated atomic and molecular densities in the shock layer and the expected residence time of 1 m/s, it can be expected that electron-ion collision processes will be important in the shock model. Electron capture by molecular ions followed by dissociation, e.g., O2(+) + e(-) yields 0 + 0, can be expected to be of major importance since these processes are known to have high rates (e.g., 10 to the -7th power cu/cm/sec) at room temperature. However, there have been no experimental measurements of dissociative recombination (DR) at temperatures ( 12000K) that are expected to characterize the shock layer. Indeed, even at room temperature, it is often difficult to perform experiments that determine the dependence of the translational energy and quantum yields of the product atoms on the electronic and vibrational state of the reactant molecular ions. Presented are ab initio quantum chemical studies of DR for molecular ions that are likely to be important in the atmospheric shock layer.
Results are presented for calculated and observed incoherent scatter radar data on ionospheric and atmospheric properties during the crossings of the Atmospheric Explorer-C satellite over the Millstone Hill, Massachusetts incoherent scatter radar station. The incoherent scatter radar measured electron density vertical profiles and electron and ion temperatures. These values yielded the exospheric temperature and the vertical distribution of neutral gas temperature. The satellite measured electron and ion temperatures and densities, neutral gas composition, and photoelectron spectra. Measurements were also made of solar UV and EUV fluxes, the vertical profile of the NO number density, and the vertical profile of the 6300 A airglow-volume emission rate. The results are compared to those of a time-dependent coupled model of the ionospheric E- and F-regions. Good agreement is found between satellite results, incoherent scatter radar measurements, and model calculations. Along the orbital path satellite measurements show significant latitudinal gradients in the measured properties.
We present line profiles and profile parameters for the Narrow-Line Regions (NLRs) of six Seyfert 1 galaxies with high-ionization lines: MCG 8-11-11, Mrk 79, Mrk 704, Mrk 841, NGC 4151, and NGC 5548. The sample was chosen primarily with the goal of obtaining high-quality [Fe VII] lambda6087 and, when possible, [Fe X] lambda6374 profiles to determine if these lines are more likely formed in a physically distinct 'coronal line region' or are formed throughout the NLR along with lines of lower critical density (n(sub cr)) and/or Ionization Potential (IP). We discuss correlations of velocity shift and width with n(sub cr) and IP. In some objects, lines of high IP and/or n(sub cr) are systematically broader than those of low IP/n(sub cr). Of particular interest, however, are objects that show no correlations of line width with either IP or n(sub cr). In these objects, lines of high and low IP/n(sub cr), are remarkably similar, which is difficult to reconcile with the classical picture of the NLR, in which lines of high and low IP/n(sub cr) are formed in physically distinct regions. We argue for similar spatial extents for the flux in lines with similar profiles. Here, as well as in a modeling-oriented companion paper, we develop further an idea suggested by Moore & Cohen that objects that do and do not show line width correlations with IP/n(sub cr) can both be explained in terms of a single NLR model with only a small difference in the cloud column density distinguishing the two types of object. Overall, our objects do not show correlations between the Full Width at Half-Maximum (FWHM) and IP and/or n(sub cr). The width must be defined by a parameter that is sensitive to extended profile wings in order for the correlations to result. We present models in which FWHM correlations with IP and/or n(sub cr) result only after simulating the lower spectral resolution used in previous observational studies. The models that simulate the higher spectral resolution of our observational study produce line width correlations only if the width is defined by a parameter that is more sensitive to extended profile wings than is the FWHM. Our sample of six objects is in effect augmented by incorporating the larger sample (16 objects) of Veilleux into some of our discussion. This paper focuses on new interpretations of NLR emission-line spectra and line profiles that stem directly from the observations. Paper 2 focuses on modeling and complements this paper by illustrating explicitly the effects that spatial variations in electron density, ionization parameter, and column density have on model profiles. By comparing model profiles with the observed profiles presented here, as well as with those presented by Veilleux, Paper 2 yields insight into how the electron density, ionization parameter, and column density likely vary throughout the NLR.
Measurement of absolute photon yield of carbon K radiation produced by electron bombardment for calibration of grazing incidence grating spectrometer
Measurement of the altitude profile of electron temperature in the ionospheric D region with the aid of a symmetric double probe flown on a Nike-Cajun payload launched on Oct. 13, 1971. The procedure for determining the electron temperature from the parameters of the double probe's current-voltage characteristic under conditions of nonnegligible ion-atom collision frequencies is described. It is shown that in its first lower ionospheric application the technique of the symmetric double probe has yielded the lowest values of electron temperature yet measured and has provided the very first direct measurement of electron temperature in the D region.
The present calculation, in a close-coupled approximation for the energy range up to 1,000,000 K, yields collision strengths for the electron impact excitation of S III from the ground 3p2 3P state to the excited states 3s3p3 3D0, 3P0, 3S0, 3d 3D0, 3P0, and 4s 3P0. Also obtained are those transitions' oscillator strengths, and strengths for others involving 3p2 1D and 1S. Configuration-interaction target wave functions yielding oscillator strengths that are accurate to 20 percent are used in collision strength calculations.