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At least 523 records · Page 29

Microwave spectrum and structure of bicyclo /1.1.1/ pentanone and comparison with several theoretical structures

The microwave spectra of five isotopic species of bicyclo (1.1.1) pentanone have been investigated. The rotational constants along with various centrifugal distortion constants for each species have been determined. From the rotational constants, a complete r(s) structure has been determined for the heavy atoms. Analysis of Stark effect measurements has shown the dipole moment to be along the a principal inertial axis with a magnitude of 3.164 (5) D. These results are compared with those obtained by four current theoretical methods: molecular mechanics (MM2), MNDO, and Hartree-Fock ab initio theory with STO-3G and 3-21G basis sets.

Mcrae, Glenn A.↗

A photoionization instability in the early intergalactic medium

It is argued that any fairly uniform source of ionizing photons can be the cause of an instability in the pregalactic medium on scales larger than a photon path length. Underdense regions receive more ionizing energy per atom and reach higher temperature and entropy, driving the density down still further. Fluctuations created by this instability can lead to the formation of structures resembling protogalaxies and intergalactic clouds, obviating the need for gas clouds or density perturbations of earlier cosmological provenance, as is usually assumed in theories of galaxy and structure formation. Characteristic masses for clouds produced by the instability, with log mass in solar units plotted against log radius in kpc, are illustrated.

Hogan, Craig J.↗

Atomic electron correlation in nuclear electron capture

The effect of electron-electron Coulomb correlation on orbital electron capture by the nucleus was treated by the multiconfigurational Hartree-Fock approach. The theoretical Be-7 L/K capture ratio was found to be 0.086, and the Ar-37 M/L ratio, 0.102. Both ratios were smaller than the independent particle predictions. Measurements exist for the Ar M/L ratio, and agreement between theory and experiment was excellent.

Chen, M. H.↗

Laboratory Measurements of the K-Shell Transition Energies in L-Shell Ions of Si and S

We have measured the energies of the strongest 1s-2 ℓ (azimuthal quantum number) (ℓ = s, p (s, p are angular momentum states)) transitions in He- through Ne-like silicon and sulfur ions to an accuracy of less than 1 electronvolt using the Lawrence Livermore National Laboratory's electron beam ion traps, EBIT-I and SuperEBIT, and the NASA/GSFC EBIT Calorimeter Spectrometer (ECS). We identify and measure the energies of 18 and 21 X-ray features from silicon and sulfur, respectively. The results are compared to new Flexible Atomic Code calculations and to semi-relativistic Hartree-Fock calculations by Palmeri et al. (2008). These results will be especially useful for wind diagnostics in high-mass X-ray binaries, such as Vela X-1 and Cygnus X-1, where high-resolution spectral measurements using Chandraʼs high-energy transmission grating has made it possible to measure Doppler shifts of 100 kilometers per second. The accuracy of our measurements is consistent with that needed to analyze Chandra observations, exceeding Chandraʼs 100 kilometers per second limit. Hence, the results presented here not only provide benchmarks for theory, but also accurate rest energies that can be used to determine the bulk motion of material in astrophysical sources. We show the usefulness of our results by applying them to redetermine Doppler shifts from Chandra observations of Vela X-1.

atomic data↗

Gravitational-wave astronomy.

Discussion of the nature and origin of gravitational waves in the light of current theories and data, stating the concept of gravitational waves as a field of relative gravitational forces that propagate with the speed of light. The topics include the generation of gravitational waves, their astrophysical sources, pulsars, supernovae, the birth of neutron stars, explosions in quasars and nuclei of galaxies, and atomic and molecular processes. Also considered are gravitational wave reception techniques, covering free-mass antennas, nonmechanical displacement sensors, almost free antennas, mechanical displacement sensors, acoustic systems, resonant antennas, Weber's detectors, and natural antennas. Future developments in gravitational wave astronomy are considered.

Press, W. H.↗

Stellar Laboratories: New GeV and Ge VI Oscillator Strengths and their Validation in the Hot White Dwarf RE0503-289

State-of-the-art spectral analysis of hot stars by means of non-LTE model-atmosphere techniques has arrived at a high level of sophistication. The analysis of high-resolution and high-S/N spectra, however, is strongly restricted by the lack of reliable atomic data for highly ionized species from intermediate-mass metals to trans-iron elements. Especially data for the latter has only been sparsely calculated. Many of their lines are identified in spectra of extremely hot, hydrogen-deficient post-AGB stars. A reliable determination of their abundances establishes crucial constraints for AGB nucleosynthesis simulations and, thus, for stellar evolutionary theory. Aims. In a previous analysis of the UV spectrum of RE 0503-289, spectral lines of highly ionized Ga, Ge, As, Se, Kr, Mo, Sn, Te, I, and Xe were identified. Individual abundance determinations are hampered by the lack of reliable oscillator strengths. Most of these identified lines stem from Ge V. In addition, we identified Ge VI lines for the first time. We calculated Ge V and Ge VI oscillator strengths in order to reproduce the observed spectrum. Methods. We newly calculated Ge V and Ge VI oscillator strengths to consider their radiative and collisional bound-bound transitions in detail in our non-LTE stellar-atmosphere models for the analysis of the Ge IV-VI spectrum exhibited in high-resolution and high-S/N FUV (FUSE) and UV (ORFEUS/BEFS, IUE) observations of RE 0503-289. Results. In the UV spectrum of RE 0503-289, we identify four Ge IV, 37 Ge V, and seven Ge VI lines. Most of these lines are identified for the first time in any star. We can reproduce almost all Ge IV, GeV, and Ge VI lines in the observed spectrum of RE 0503-289 (T(sub eff) = 70 kK, log g = 7.5) at log Ge = -3.8 +/- 0.3 (mass fraction, about 650 times solar). The Ge IV/V/VI ionization equilibrium, that is a very sensitive T(sub eff) indicator, is reproduced well. Conclusions. Reliable measurements and calculations of atomic data are a prerequisite for stellar-atmosphere modeling. Our oscillator-strength calculations have allowed, for the first time, Ge V and Ge VI lines to be successfully reproduced in a white dwarf s (RE 0503-289) spectrum and to determine its photospheric Ge abundance.

Rauch, T.↗

Thermodynamic Behavior of Nano-sized Gold Clusters on the (001) Surface

We have studied thermal expansion of the surface layers of the hexagonally reconstructed Au (001) surface using a classical Molecular Dynamics (MD) simulation technique with an Embedded Atomic Method (EAM) type many-body potential. We find that the top-most hexagonal layer contracts as temperature increases, whereas the second layer expands or contracts depending on the system size. The magnitude of expansion coefficient of the top layer is much larger than that of the other layers. The calculated thermal expansion coefficients of the top-most layer are about -4.93 x 10(exp -5)Angstroms/Kelvin for the (262 x 227)Angstrom cluster and -3.05 x 10(exp -5)Angstroms/Kelvin for (101 x 87)Angstrom cluster. The Fast Fourier Transform (FFT) image of the atomic density shows that there exists a rotated domain of the top-most hexagonal cluster with rotation angle close to 1 degree at temperature T less than 1000Kelvin. As the temperature increases this domain undergoes a surface orientational phase transition. These predictions are in good agreement with previous phenomenological theories and experimental studies.

Paik, Sun M.↗

Atomic electron correlation in nuclear electron capture

The effect of electron-electron Coulomb correlation on orbital-electron capture by the nucleus has been treated by the multiconfigurational Hartree-Fock approach. The theoretical Be-7 L/K capture ratio is found to be 0.086, and the Ar-37 M/L ratio, 0.102. Both ratios are smaller than the independent-particle predictions. Measurements exist for the Ar M/L ratio, and agreement between theory and experiment is excellent.

Chen, M. H.↗

Coincidence measurement of the fully differential cross section for atomic-field bremsstrahlung

A coincidence measurement was made of the absolute cross section for electron-atomic-field bremsstrahlung, differential in photon energy, photon-emission angle, and electron scattering angle. The incident electron energy was 140 keV and the scattering materials were thin films of aluminum and gold. The data are compared to the theoretical calculations of Elwert and Haug and of Bethe and Heitler. Both theories give generally satisfactory agreement for aluminum. The Elwert-Haug theory is somewhat more accurate for gold.

Faulk, J. D.↗

Closed-Shell Polycyclic Aromatic Hydrocarbon Cations: A New Category of Interstellar Polycyclic Aromatic Hydrocarbons

Density functional theory has been employed to calculate the harmonic frequencies and intensities of a range of polycyclic aromatic hydrocarbon (PAH) cations that explore both size and electronic structure effects of the infrared spectroscopic properties of these species. The sample extends the size range of PAH species considered to more than 50 carbon atoms and includes several representatives from each of two heretofore unexplored categories of PAH cations: (1) fully benzenoid PAH cations whose carbon skeleton is composed of an odd number of carbon atoms (C(sub odd) PAHs); and (2) protonated PAH cations (HPAH+). Unlike the radical electronic structures of the PAH cations that have been the subject of previous theoretical and experimental work, the species in these two classes have a closed-shell electronic configuration. The calculated spectra of circumcoronene, C54H18 in both neutral and (radical) cationic form are also reported and compared with those of the other species. Overall, the C(sub odd) PAHs spectra are dominated by strong CC stretching modes near 1600 cm(exp -1) and display spectra that are remarkably insensitive to molecular size. The HPAH+ species evince a more complex spectrum consistent with the added contributions of aliphatic modes and their generally lower symmetry. Finally, for both classes of closed-shell cations, the intensity of the aromatic CH stretching modes is found to increase with molecular size far out of proportion with the number of CH groups, approaching a value more typical of neutral PAHs for the largest species studied.

Hudgins, Douglas M.↗

Large Abundances of Polycyclic Aromatic Hydrocarbons in Titan's Upper Atmosphere

In this paper, we analyze the strong unidentified emission near 3.28 micron in Titan's upper daytime atmosphere recently discovered by Dinelli et al.We have studied it by using the NASA Ames PAH IR Spectroscopic Database. The polycyclic aromatic hydrocarbons (PAHs), after absorbing UV solar radiation, are able to emit strongly near 3.3 micron. By using current models for the redistribution of the absorbed UV energy, we have explained the observed spectral feature and have derived the vertical distribution of PAH abundances in Titan's upper atmosphere. PAHs have been found to be present in large concentrations, about (2-3) × 10(exp 4) particles / cubic cm. The identified PAHs have 9-96 carbons, with a concentration-weighted average of 34 carbons. The mean mass is approx 430 u; the mean area is about 0.53 sq. nm; they are formed by 10-11 rings on average, and about one-third of them contain nitrogen atoms. Recently, benzene together with light aromatic species as well as small concentrations of heavy positive and negative ions have been detected in Titan's upper atmosphere. We suggest that the large concentrations of PAHs found here are the neutral counterpart of those positive and negative ions, which hence supports the theory that the origin of Titan main haze layer is located in the upper atmosphere.

PAH↗

The theory of ionospheric focused heating

Ionospheric modification by high power radio waves and by chemical releases are combined in a theoretical study of ionospheric focused heating. The release of materials which promote electron-ion recombination creates a hole in the bottomside ionosphere. The ionospheric hole focuses high power radio waves from a ground-based transmitter to give a 20 dB or greater enhancement in power density. The intense radio beam excites atomic oxygen by collisions with accelerated electrons. Airglow from the excited oxygen provides a visible trace of the focused beam. The large increase in the intensity of the radio beam stimulates new wave-plasma interactions. Numerical simulations show that the threshold for the two-plasmon decay instability is exceeded. The interaction of the pump electromagnetic wave with the backward plasmon produces a scattered electromagnetic wave at 3/2 the pump frequency. The scattered wave provides a unique signature of the two-plasmon decay process for ground-based detection.

Bernhardt, P. A.↗

Ionizing mechanisms in a cesium plasma irradiated with a ruby laser

A cesium filled diode--laser plasmadynamic converter was built to investigate the feasibility of converting laser energy to electrical energy at large power levels. Experiments were performed with a pulsed ruby laser to determine the quantity of electrons and cesium ions generated per pulse of laser beam and to determine the output voltage. A current density as high as 200 amp/sq cm from a spot of approximately 1 sq mm area and an open circuit voltage as high as 1.5 volts were recorded. A qualitative theory was developed to explain these results. In the operation of the device, the laser beam evaporates some of the cesium and ionizes the cesium gas. A dense cesium plasma is formed to absorb further the laser energy. Results suggest that the simultaneous absorption of two ruby laser photons by the cesium atoms plays an important role in the initial ionization of cesium. Inverse bremsstrahlung absorption appears to be the dominant mechanism in subsequent processes. Recombinations of electrons and cesium ions appear to compete favorably with the simultaneous absorption of two photons.

Shimada, K.↗

Photoionization research on atomic beams. 2: The photoionization cross section of atomic oxygen

An experiment to determine the absolute value of the photo-ionization cross section of atomic oxygen is described. The atoms are produced in an electrical discharge in oxygen gas with 1% hydrogen added. In order to prevent recombination a crossed beam technique is employed. The ions formed are detected by a time-of-flight mass spectrometer. The concentration of oxygen atoms in the beam is 57%. The measured photoionization cross section of atomic oxygen is compared with theoretical data. The results show the participation of autoionization processes in ionization. The cross section at the autoionizing levels detected is considerably higher than the absorption due to the unperturbed continuum. Except for wavelengths where autoionization occurs, the measured ionization cross section is in fair agreement with theory. This holds up to 550 A whereas for shorter wavelengths the theoretical values are much higher.

Comes, F. J.↗

Polarization asymmetry in two-electron photodetachment - A cogent test of the ionization threshold law

A very sensitive test of the electron-atom ionization threshold law is suggested: for spin-aligned heavy negative ions it consists of measuring the polarization asymmetry A(PA) coming from double detachment by left- versus right-circularly polarized light. The respective yields are worked out for the Te(-) (5p)5 2P(3/2) ion. The Coulomb-dipole theory predicts A(PA) to be the ratio of two oscillating functions in sharp contrast to any power law (specifically that of Wannier, 1953) for which the ratio is expected to be a smooth function of energy.

Temkin, A.↗

Quantum chemical study of relative reactivities of a series of amines and nitriles - Relevance to prebiotic chemistry

Using the Iterative Extended Huckel Theory (IEHT) calculations of the electron distribution and orbital energies of a series of thirteen amines, nitriles and amino-nitriles relevant to prebiotic and cosmo-chemistry have been carried out. Ground state properties such as the energy and nature of the highest occupied (HOMO) and lowest empty (LEMO) molecular orbitals, net atomic charges and number of nonbonding electrons have been identified as criteria for correlating the relative nucleophilicity of amine and nitrile nitrogens and the electrophilicity of nitrile and other unsaturated carbon atoms. The results of such correlations can be partially verified by known chemical behavior of these compounds and are used to predict and understand their role in prebiotic organic synthesis.

Loew, G. H.↗

Transport properties in the atmosphere of Jupiter

The calculation of transport properties near the surface of a probe entering the atmosphere of Jupiter is discussed for (1) transport properties in the pure Jovian atmosphere, (2) transport properties for collisions between monatomic carbon atoms, including the effect of excited electronic states, (3) transport properties at the boundaries for mixing of the pure Jovian atmosphere and the atmosphere due to the injection of gaseous ablation products, and (4) transport properties for interactions involving some of the molecular ablation products. The transport properties were calculated using the kinetic theory of gases. Transport collision integrals were calculated for only a limited set of empirical and semiempirical interaction potentials. Since the accuracy of the fit of these empirical potentials to the true potential usually determines the accuracy of the calculation of the transport properties, the various interaction potentials used in these calculations are discussed.

Biolsi, L., Jr.↗

Determination of the auroral O/1S/ production sources from coordinated rocket and satellite measurements

This paper examines the auroral excitation mechanisms using data collected in a satellite/rocket/aurora coordination. Past theories considered that variation with altitude of the emission from the O(1S) state is the same as that from the N2(+) first negative band system. Actually, the source function for O(1S) does not covary with N2(+) but has a smaller scale height. The covariation is due to quenching of the source function by O(3P). The steadiness of the aurora in a flight of the Michigan Airglow Payload allows the profile to be differentiated for direct comparison with theory. It is concluded that when most of the relevant variables for production of the O(1S) state are simultaneously measured in aurora, the major source functions are dissociative recombination of O2(+) above 210 km to apogee at 250 km, and below 180 km the energy transfer from N2(A3sigma) in the oxygen atom quenching reaction.

Sharp, W. E.↗