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At least 127 records · Page 7

Vibration-translation energy transfer in anharmonic diatomic molecules. II - The vibrational quantum-number dependence

A semiclassical model of the inelastic collision between a vibrationally excited anharmonic oscillator and a structureless atom is used to predict the variation of thermally averaged vibrational-translational rate coefficients with temperature and initial-state quantum number. Multiple oscillator states are included in a numerical solution for collinear encounters. The results are compared with CO-He experimental values for both ground and excited initial states using several simplified forms of the interaction potential. The numerical model is also used as a basis for evaluating several less complete, but analytic, models. Two computationally simple analytic approximations are found that successfully reproduce the numerical rate coefficients for a wide range of molecular properties and collision partners. Their limitations are identified, and the relative rates of multiple-quantum transitions from excited states are evaluated for several molecular types.

Mckenzie, R. L.↗

Cosmogenic-nuclide production by primary cosmic-ray protons

The production rates of cosmogenic nuclides were calculated for the primary protons in the galactic and solar cosmic rays. At 1 AU, the long-term average fluxes of solar protons usually produce many more atoms of cosmogenic nuclide than the primary protons in the galactic cosmic rays (GCR). Because the particle fluxes inside meteorites and other large objects in space include many secondary neutrons, the production rates and ratios inside large objects are often very different from those by just the primary GCR protons. It is possible to determine if a small object, was small in space or broken from a meteorite. Because heliospherical modulation and other interactions change the GCR particle spectrum, the production of cosmogenic nuclides by the GCR particles outside the heliosphere will be different from that by modulated GCR primaries.

Reedy, R. C.↗

Ab initio multireference study of the BN molecule

The lowest 1Sigma(+) and 3Pi states of the BN molecule are studied using multireference configuration interaction (MRCI) and averaged coupled-pair functional (ACPF) methods and large atomic natural orbital (ANO) basis sets, as well as several coupled cluster methods. Our calculations strongly support a 3Pi ground state, but the a1Sigma(+) state lies only 381 +/- 100/cm higher. The a1Sigma(+) state wave function exhibits strong multireference character and, consequently, the predictions of the perturbationally-based single-reference CCSD(T) coupled cluster method are not as reliable in this case as the multireference results. The theoretical predictions for the spectroscopic constants of BN are in good agreement with experiment for the Chi3Pi state, but strongly suggest a misassignment of the fundamental vibrational frequency for the a1Sigma(+) state.

Martin, J. M. L.↗

Are the C delta light nitrogen and noble gases located in the same carrier?

Light nitrogen and the HL family noble gas components of C(sub delta) appear to be separable by high resolution pyrolysis experiments. Thus C(sub delta) is not a homogeneous material and probably consists of debris of many stars. The question of whether the N and Xe(HL) actually reside in different carriers continues to be addressed. It is well known that C(sub delta) which was identified as nanometer sized diamonds contains isotopically anamalous elements, in particular noble gases including Xe(HL) and its family and light nitrogen (delta(N-15) down to -350 percent). Before the true nature of C(sub delta) was recognized, it was easy to suppose that the Xe(HL) and light nitrogen were located in the same carrier. However, recognition that light nitrogen in diamond from different samples varies by greater than a factor of six compared to Xe(HL) fluctuations of ca. 20 percent makes such an assumption questionable. On the basis of simple arithmetic logic, the Xe and nitrogen cannot be absolutely co-located. The average diamond grain consists of only about 1000-2000 atoms of carbon; one grain among a few x 10(exp 6) contains an atom of Xe(HL) while 5-30 atoms of light nitrogen are the typical number which need to be in every diamond grain to account for observed concentrations. If some grains are devoid of N, the others have to have a higher N concentration. Even if we were able to analyze an individual grain of the diamond for noble gases and nitrogen, we would be faced with the monumental task of locating the one amongst 10(exp 6) identical grains containing the Xe atom to examine its nitrogen content. The problem can be simplified to some extent if instead of Xe, He which is 10(exp 4) times more abundant is assumed to be a member of the HL family. Attempts to fractionate the separate carriers might be attempted using He and N as guiding indicators but even experiments of this nature are for the future. Faced with apparently insoluble problems, we have returned to an investigation we last used in our original efforts to find isotopically light nitrogen, that is to compare release patterns of the different components during stepped pyrolysis and combustion.

Verchovsky, A. B.↗

Correlative Aspects of the Solar Electron Neutrino Flux and Solar Activity

Between 1970 and 1994, the Homestake Solar Neutrino Detector obtained 108 observations of the solar electron neutrino flux (less than 0.814 MeV). The "best fit" values derived from these observations suggest an average daily production rate of about 0.485 Ar-37 atom per day, a rate equivalent to about 2.6 SNU (solar neutrino units) or about a factor of 3 below the expected rate from the standard solar model. In order to explain, at least, a portion of this discrepancy, some researchers have speculated that the flux of solar neutrinos is variable, possibly being correlated with various markers of the solar cycle (e.g., sunspot number, the Ap index, etc.). In this paper, using the larger "standard data set," the issue of correlative behavior between solar electron neutrino flux and solar activity is re-examined. The results presented here clearly indicate that no statistically significant association exists between any of the usual markers of solar activity and the solar electron neutrino flux.

Wilson, Robert M.↗

Z1/3/ contribution to the energy loss of heavy charged particles

The Z1(3) contribution of distant collisions to the average energy loss of heavy charged particles is obtained by extending Bethe's quantum-mechanical calculation to the next highest order in Z1. The second-order Born approximation for the inelastic-collision cross section is simplified by using two major approximations. The infinite summation over terms arising from the coupling to intermediate states of the target atom is approximated with the aid of a parameter and the closure relation. This parameter is proportional to the average excitation energy of the intermediate states as described in the literature. The atomic form factors are simplified through a dipole expansion. Results are obtained in terms of an average excitation energy of the medium. Exemplary results for stopping in Al are presented for estimated values of the average excitation energy of the intermediate states. These results approach the classical and experimental values as the velocity of the penetrating particle increases, agreeing within 20% at beta = 0.3.

Morgan, S. H., Jr.↗

The average chemical composition of the lunar surface

The available analytical data from twelve locations on the moon are used to estimate the average amounts of the principal chemical elements (O, Na, Mg, Al, Si, Ca, Ti, and Fe) in the mare, the terra, and the average lunar surface regolith. These chemical elements comprise about 99% of the atoms on the lunar surface. The relatively small variability in the amounts of these elements at different mare (or terra) sites, and the evidence from the orbital measurements of Apollo 15 and 16, suggest that the lunar surface is much more homogeneous than the surface of the earth. The average chemical composition of the lunar surface may now be known as well as, if not better than, that of the solid part of the earth's surface.

Turkevich, A. L.↗

Effects of curvilinear motion in large-amplitude bending of C3

The geometry of the bending of a linear triatomic molecule is analyzed, and an expression for the average rotational constant is derived. A harmonic oscillator model of C3 is fitted to the observed rotational constant within 0.6%. The bond distance between atoms at zero bending is 1.287 A according to this model; this is noticeably larger than the average internuclear distance of 1.277 A for the vibrational ground state. The first order perturbation solutions for the vibrational energy levels, taking into account the effect of a quartic perturbation potential, closely match observed levels. For a square well potential model of C3, the effect of curvilinear motion in bending is similar to that found for the harmonic oscillator model, though the decreases in energy are about twice as large. In both models, the average energy decrease is relatively constant at approximately 10% over a wide range of vibrational quantum number.

Hansen, C. F.↗

Effect of solar proton events in 1978 and 1979 on the odd nitrogen abundance in the middle atmosphere

Daily average solar proton flux data for 1978 and 1979 are used in a proton energy degradation scheme to derive ion pair production rates and atomic nitrogen production rates. The latter are computed in a form suitable for inclusion in an atmopheric, two-dimensional, time-dependent photochemical model. Odd nitrogen distributions are computed from the model, including atomic nitrogen production from solar protons, and are compared with baseline distributions. The comparisons show that the average effect of the solar protons in 1978 and 1979 was to cause changes in odd nitrogen only above 10 mbar and at latitudes only above about 50 deg in both hemispheres. The influence of the solar proton-produced odd nitrogen on the local abundance of odd nitrogen depends primarily on the background odd nitrogen abundance as well as the altitude and season.

Jackman, Charles H.↗

LDEF yaw and pitch angle estimates

Quantification of the LDEF yaw and pitch misorientations is crucial to the knowledge of atomic oxygen exposure of samples placed on LDEF. Video camera documentation of the LDEF spacecraft prior to grapple attachment, atomic oxygen shadows on experiment trays and longerons, and a pinhole atomic oxygen camera placed on LDEF provided sources of documentation of the yaw and pitch misorientation. Based on uncertainty-weighted averaging of data, the LDEF yaw offset was found to be 8.1 plus or minus 0.6 degrees, allowing higher atomic oxygen exposure of row 12 than initially anticipated. The LDEF pitch angle offset was found to be 0.8 plus or minus 0.4 degrees, such that the space end was tipped forward toward the direction of travel. The resulting consequences of the yaw and pitch misorientation of LDEF on the atomic oxygen fluence is a factor of 2.16 increase for samples located on row 12, and a factor of 1.18 increase for samples located on the space end compared to that which would be expected for perfect orientation.

Banks, Bruce A.↗

Viscosity of high-temperature iodine

The viscosity coefficient of iodine in the temperature range 500 - 3000 K is calculated. Because of the low dissociation energy of the I2 molecules, the dissociation degree of the gas increases quickly with temperature, and I + I2 and I + I collisions must be taken into account in calculation of viscosity at temperatures greater than 1000 deg. Several possible channels for atom-atom interaction are considered, and the resulting collision integrals are averaged over all the important channels. It is also shown that the rigid-sphere model is inaccurate in predictions of the viscosity.

Kang, Steve H.↗

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↗

A global model of the neutral thermosphere in magnetic coordinates based on OGO 6 data

Data from the OGO 6 satellite have been analyzed in magnetic latitude and magnetic local time coordinates for various seasons and magnetic activity levels. These measurements show considerable detail, particularly in the auroral regions where the energy inputs are well organized in this coordinate system. This detail is not readily observed in models based on geographic coordinates. Atomic oxygen and helium densities and a parameter related to the molecular nitrogen density were analyzed. The long-term averages of these quantities are presented in graphical form and as analytic functions to provide models of these thermospheric parameters. The atomic oxygen and helium densities show minima at high latitudes in the postmidnight sector for nearly all seasons and magnetic activity levels. The exospheric temperature inferred from the N2 density increases toward high latitudes for all seasons and all magnetic activity levels. This inferred temperature is about 300 deg K higher at the summer magnetic pole than at the winter magnetic pole.

Stehle, C. G.↗

Formation of the lunar helium corona and atmosphere

Helium is one of the dominant gases of the lunar atmosphere. Its presence is easily identified in data from the mass spectrometer at the Apollo 17 landing site. The major part of these data was obtained in lunar nighttime, where helium concentration reaches the maximum of its diurnal cyclic variation. The large night to day concentration ratio agrees with the basic theory of exospheric lateral transport reported by Hodges and Johnson (1968). A reasonable fraction of atmospheric helium atoms has a velocity in excess of the gravitational escape velocity. The result is a short average lifetime and a tenuous helium atmosphere. A description is presented of an investigation which shows that the atmosphere of the moon has two distinct components including low energy atoms, which are gravitationally bound in trajectories that intersect the lunar surface, and higher energy atoms, which are trapped in satellite orbits. The total helium abundance in the lunar corona is shown to be about 1.3 times 10 to the 30th power atoms.

Hodges, R. R., Jr.↗

Computer simulation of concentrated solid solution strengthening

The interaction forces between a straight edge dislocation moving through a three-dimensional block containing a random array of solute atoms were determined. The yield stress at 0 K was obtained by determining the average maximum solute-dislocation interaction force that is encountered by edge dislocation, and an expression relating the yield stress to the length of the dislocation and the solute concentration is provided. The magnitude of the solid solution strengthening due to solute atoms can be determined directly from the numerical results, provided the dislocation line length that moves as a unit is specified.

Kuo, C. T. K.↗

Simultaneous retrieval of the solar EUV flux and neutral thermospheric O, O2, N2, and temperature from twilight airglow

We present a method to retrieve neutral thermospheric composition and the solar EUV flux from ground-based twilight optical measurements of the O(+) ((exp 2)P) 7320 A and O((exp 1)D) 6300 A airglow emissions. The parameters retrieved are the neutral temperature, the O, O2, N2 density profiles, and a scaling factor for the solar EUV flux spectrum. The temperature, solar EUV flux scaling factor, and atomic oxygen density are first retrieved from the 7320-A emission, which are then used with the 6300-A emission to retrieve the O2 and N2 densities. The retrieval techniques have been verified by computer simulations. We have shown that the retrieval technique is able to statistically retrieve values, between 200 and 400 km, within an average error of 3.1 + or - 0.6% for thermospheric temperature, 3.3 + or - 2.0% for atomic oxygen, 2.3 + or - 1.3% for molecular oxygen, and 2.4 + or - 1.3% for molecular nitrogen. The solar EUV flux scaling factor was found to have a retrieval error of 5.1 + or - 2.3%. All the above errors have a confidence level of 95%. The purpose of this paper is to prove the viability and usefulness of the retrieval technique by demonstrating the ability to retrieve known quantities under a realistic simulation of the measurement process, excluding systematic effects.

Fennelly, J. A.↗

In Situ Measurements of Meteoric Ions

Metal ions found in the atmosphere above 60 km are the result of incoming meteoroid atmospheric ablation. Layers of metal ions are detected by sounding rocket in situ mass spectrometric sampling in the 80 to 130 km region, which coincides with the altitude region where meteors are observed. Enhancements of metal ion concentrations occur during meteor showers. Even outside of shower periods, the metal ion altitude profiles vary from measurement to measurement. Double layers are frequent at middle latitudes. More than 40 different meteoric atomic and molecular ions, including isotopes, have been detected. Atmospheric metal ions on average have an abundance that matches chrondritic material, the same composition as the early solar system. However there are frequently local departures from this composition due to differential ablation, species dependent chemistry and mass dependent ion transport. Metal ions react with atmospheric O2, O, O3, H2O and H2O2 to form oxygenated and hydrogenated ionic compounds. Metal atomic ions at high altitudes have long lifetimes. As a result, these ions, in the presence of Earth's magnetic field, are transported over long distances by upper atmospheric winds and ionospheric electric fields. Satellite measurements have detected metal ions as high as, approximately 1000 km and have revealed circulation of the ions on a global scale.

Grebowsky, Joseph M.↗

Thermodynamic properties of hydrogen-helium plasmas.

Calculation of the thermodynamic properties of an atomic hydrogen-helium plasma for postulated conditions present in a stagnation shock layer of a spacecraft entering the atmosphere of Jupiter. These properties can be used to evaluate transport properties, to calculate convective heating, and to investigate nonequilibrium behavior. The calculations have been made for temperatures from 10,000 to 100,000 K, densities of 10 to the minus 7th and .00001 g cu cm, and three plasma compositions: pure hydrogen, 50% hydrogen/50% helium, and pure helium. The shock layer plasma consists of electrons, protons, atomic hydrogen, atomic helium, singly ionized helium, and doubly atomized helium. The thermodynamic properties which have been investigated are: pressure, average molecular weight, internal energy, enthalpy, entropy, specific heat, and isentropic speed of sound. A consistent model was used for the reduction of the ionization potential in the calculation of the partition functions.

Nelson, H. F.↗