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At least 19 records

Band-overlap metallization of BaS, BaSe and BaTe

The insulator-metal transition volumes for BaS, BaSe, and BaTe are calculated for the first time, using the self-consistent augmented spherical wave technique. The metallized transition volumes are smaller than those corresponding to the NaCl yields CsCl structural transitions, but, 10 to 15% larger than those obtained by the Herzfeld dielectric theory. The calculated equilibrium energy gaps in the NaCl structure underestimate the measured ones by 50 to 60%.

Carlsson, A. E.↗

Interstellar CH and CH+ from the evaporation of grain mantles

Reexamination of a model originally suggested by Bates and Spitzer (1951) for interstellar molecule production by evaporation of grain mantles. It is shown that allowance for reactions involving CH(+), formerly ignored, remove the difficulties experienced by Bates and Spitzer. The essential features of CH and CH(+) observations in the directions of certain stars can be understood on the basis of this model.

Stecher, T. P.↗

Comment on 'Heavy ozone in the stratosphere'

It is suggested that the factor-of-two difference in ozone formation rate constants derived by Bates (1986) can also be explained by the omission of standard correction factors from the rate expression. Proper accounting for the fact that isotope exchange and recombination reactions share a common energized collision complex (which can decay by dissociation to products isotopically distinct from the original reactants) eliminates the anomalous dependence of the rate constant on the isotopic composition of the reactants and products through their symmetry numbers. In a reply, Bates argues that symmetry effects in association do not lead to enhancement of the total heavy ozone abundance.

Anderson, Stuart M.↗

Comparisons of Upper Tropospheric Humidity Retrievals from TOVS and METEOSAT

Two different methods for retrieving Upper Tropospheric Humidities (UTH) from the TOVS (TIROS Operational Vertical Sounder) instruments aboard NOAA polar orbiting satellites are presented and compared. The first one, from the Environmental Technology Laboratory, computed by J. Bates and D. Jackson (hereafter BJ method), estimates UTH from a simplified radiative transfer analysis of the upper tropospheric infrared water vapor channel at wavelength measured by HIRS (6.3 micrometer). The second one results from a neural network analysis of the TOVS (HIRS and MSU) data developed at, the Laboratoire de Meteorologie Dynamique (hereafter the 3I (Improved Initialization Inversion) method). Although the two methods give very similar retrievals in temperate regions (30-60 N and S), an absolute bias up to 16% appears in the convective zone of the tropics. The two datasets have also been compared with UTH retrievals from infrared radiance measurements in the 6.3 micrometer channel from the geostationary satellite METEOSAT (hereafter MET method). The METEOSAT retrievals are systematically drier than the TOVS-based results by an absolute bias between 5 and 25%. Despite the biases, the spatial and temporal correlations are very good. The purpose of this study is to explain the deviations observed between the three datasets. The sensitivity of UTH to air temperature and humidity profiles is analysed as are the clouds effects. Overall, the comparison of the three retrievals gives an assessment of the current uncertainties in water vapor amounts in the upper troposphere as determined from NOAA and METEOSAT satellites.

Escoffier, C.↗

Collisional radiative recombination in high-pressure noble gas mixtures

Rate coefficients are calculated for neutral-assisted collisional radiative recombination in dense, weakly ionized rare-gas mixtures using the quasiequilibrium model developed by Bates. It is shown that the recombination rate can be significantly altered by the presence of a buffer gas. In particular, the presence of helium can enhance the collisional radiative recombination rate coefficient of heavy rare gases by a factor of 5.

Whitten, B. L.↗

Global empirical model of the Venus thermosphere

Direct measurements of neutral CO2, O, CO, N2, He, and N densities from the Pioneer Venus Orbiter Neutral Mass Spectrometer are described in terms of a spherical harmonic representation (latitude and local time coordinates) of exospheric temperature and number densities at 150 km, using modified Bates temperature profiles. The exospheric temperatures are determined from the altitude variations of atomic oxygen. A global average temperature of 228 K is derived with a first harmonic variation of 5%. The altitude profiles are extended downward to 100 km by using empirical formulas to provide a transition through the turbopause region (simulating the effect of eddy diffusion and vertical flows) and matching entry probe density data. The model reflects the observed variations of temperature and density with the 10.7 cm radio flux index. For a given change in flux at the planet, the exospheric temperature on Venus changes by only 10% of the change seen in the terrestrial thermosphere.

Hedin, A. E.↗

Static multipole polarisabilities and second-order Stark shift in francium

The multipole polarizability of the ground state of francium is calculated by utilizing both the variational technique of Davison and the quantum defect theory underlying the Bates-Damgaard method. This approach is also shown to yield reasonable results for other alkali atoms. Second-order Stark shift for the ground state of francium is presented as a function of field strength for possible future experimental comparison.

Khan, F.↗

The sensitivity of gas-phase models of dense interstellar clouds to changes in dissociative recombination branching ratios

The approach of Bates to the determination of neutral product branching ratios in ion-electron dissociative recombination reactions has been utilized in conjunction with quantum chemical techniques to redetermine branching ratios for a wide variety of important reactions of this class in dense interstellar clouds. The branching ratios have then been used in a pseudo time-dependent model calculation of the gas phase chemistry of a dark cloud resembling TMC-1 and the results compared with an analogous model containing previously used branching ratios. In general, the changes in branching ratios lead to stronger effects on calculated molecular abundances at steady state than at earlier times and often lead to reductions in the calculated abundances of complex molecules. However, at the so-called 'early time' when complex molecule synthesis is most efficient, the abundances of complex molecules are hardly affected by the newly used branching ratios.

Millar, T. J.↗

Interstellar cyanomethane

An observational study was made of the newly identified cyanomethane radical CH2CN and the possibly related species CH3CN with the goals of elucidating the possible role of reactions of the type CnHm(+) + N in astrochemistry, and providing a possible test of Bates's models of dissociative electron recombination. A remarkably different abundance ratio CH2CN/CH3CN was found in TMC-1 and Sgr B2 which is deduced to be a result of the large difference in temperature of these objects. Studies of CH2CN and CH3CN in other sources, including two new detections of CH2CN, support this conclusion and are consistent with a monotonic increase in the CH2CN/CH3CN ratio with decreasing temperature over the range 10-120 K. This behavior may be explained by the destruction of CH2CN by reaction with O.

Turner, B. E.↗

Plastic scintillator block as photon beam monitor for EGRET calibration

The EGRET (Energetic Gamma Ray Experiment Telescope) detector has been calibrated at SLAC (Stanford Linear Accelerator) and, to a lesser degree, at the MIT Bates Linear Accelerator Center. To monitor the photon beams for the calibration, a plastic scintillator block, 5 cm x 5 cm in cross section, 15 cm in length, and viewed by a single photomultiplier tube, was used for the entire beam energy range of 15 MeV to 10 GeV. The design operation, and method of analysis of the beam intensity are presented. A mathematical framework has been developed to treat the general case of a beam with multiphoton beam pulses and with a background component. A procedure to deal with the fluctuations of the beam intensity over a data-taking period was also developed. The photon beam monitor is physically sturdy, electronically steady, simple to construct, and easy to operate. Its major merits lie in its sheer simplicity of construction and operation and in the wide energy range it can cover.

Lin, Y. C.↗

Recombination of N4(+) ions with electrons

Using a modified high-pressure-afterglow/mass spectrometer apparatus similar to that described by Lee and Johnsen (1989), spectroscopic observations of afterglow helium plasmas, with N2 as a minor additive, were carried out in order to verify the mechanism suggested by Bates (1991) for dissociative recombination of electrons with N4(+) ions. It was found that dissociative recombination of electrons with N4(+) ions results in the formation of N2 molecules in the C 3Pi(u) (v = 0,1) state, with the recombination rate coefficient of (2.6 +/- 0.3) x 10 exp -6 cu cm/sec at 300 K.

Cao, Y. S.↗

Variational data assimilation with a semi-Lagrangian semi-implicit global shallow-water equation model and its adjoint

An adjoint model is developed for variational data assimilation using the 2D semi-Lagrangian semi-implicit (SLSI) shallow-water equation global model of Bates et al. with special attention being paid to the linearization of the interpolation routines. It is demonstrated that with larger time steps the limit of the validity of the tangent linear model will be curtailed due to the interpolations, especially in regions where sharp gradients in the interpolated variables coupled with strong advective wind occur, a synoptic situation common in the high latitudes. This effect is particularly evident near the pole in the Northern Hemisphere during the winter season. Variational data assimilation experiments of 'identical twin' type with observations available only at the end of the assimilation period perform well with this adjoint model. It is confirmed that the computational efficiency of the semi-Lagrangian scheme is preserved during the minimization process, related to the variational data assimilation procedure.

Li, Y.↗

AP reclamation and reuse in RSRM propellant

A solid propellant ingredient reclamation pilot plant has been evaluated at the Strategic Operations of Thiokol Corporation, located in Brigham City, Utah. The plant produces AP wet cake (95 percent AP, 5 percent water) for recycling at AP vendors. AP has been obtained from two standard propellant binder systems (PBAN and HTPB). Analytical work conducted at Thiokol indicates that the vendor-recrystallized AP meets Space Shuttle propellant specification requirements. Thiokol has processed 1-, 5-, and 600-gallon propellant mixes with the recrystallized AP. Processing, cast, cure, ballistic, mechanical, and safety properties have been evaluated. Phillips Laboratory static-test-fired 70-pound and 800-pound BATES motors. The data indicate that propellant processed with reclaimed AP has nominal properties.

Miks, Kathryn F.↗

Products of Dissociative Recombination in the Ionosphere

SRI International undertook a novel experimental measurement of the product states formed by dissociative recombination (DR) of O2(+), NO(+), and N2(+) as a function of both electron energy and reactant ion vibrational level. For these measurements we used a recently developed experimental technique for measuring dissociation product distributions that allows both the branching ratios to be accurately determined and the electronic and rovibrational state composition of the reactant ions to be specified. DR is the dominant electron loss mechanism in all regions of the ionosphere. In this process, electron attachment to the molecular ion produces an unstable neutral molecule that rapidly dissociates. For a molecular ion such as O2(+), the dissociation recombination reaction is (1) O2(+) + e yields O + O + W. The atomic products of this reaction, in this case two oxygen atoms, can be produced in a variety of excited states and with a variety of kinetic energies, as represented by W in Eq. (1). These atoms are not only active in the neutral chemistry of the ionosphere, but are also especially important because their optical emissions are often used to infer in situ concentrations of the parent molecular ion and ambient electron densities. Many laboratory measurements have been made of DR reaction rates under a wide range of electron temperatures, but very little is known about the actual distributions among the final states of the atomic products. This lack of knowledge seriously limits the validity and effectiveness of efforts to model both natural and man-made ionospheric disturbances. Bates recently identified major deficiencies in the currently accepted branching ratios for O2(+) as they relate to blue and green line emission measurements in the nocturnal F-region. During our two-year effort, we partially satisfied our ambitious goals. We constructed and operated a variable pressure, electron-impact ion source and a high pressure, hollow-cathode discharge ion source for O2(+), NO(+), and N2(+) beams. Translational spectroscopy of the products of dissociative charge transfer in Cs vapor was used to accurately assay the composition of the O2(+) and NO(+) beams and to develop a methodology for the vibrationally controlled preparation of the ground state ion beams. Attempts to assay the N2(+) beam revealed a novel two-electron process in the charge transfer reactions. A coaxial electron gun for the DR measurements was constructed following an extensive numerical design of the fields. Tests of the gun, however, found substantial perturbations of the magnetic fields by the soft iron (CMI-C) assembly containing the Langmuir probe that locates the electron beam. Hydrogen annealing of the iron failed to eliminate the field perturbations, necessitating the removal of the probe assembly. During this work on the coaxial electron gun, we discovered that predissociated high Rydberg states of O2 could be produced by subjecting the molecules to a sudden perturbation by an electromagnetic field. This technique allowed a measurement of the product branching to the atomic limits for the lowest seven vibrational levels of O2(+).

Cosby, Philip↗

Gravity Wave Energetics Determined From Coincident Space-Based and Ground-Based Observations of Airglow Emissions

Significant progress was made toward the goals of this proposal in a number of areas during the covered period. Section 5.1 contains a copy of the originally proposed schedule. The tasks listed below have been accomplished: (1) Construction of space-based observing geometry gravity wave model. This model has been described in detail in the paper accompanying this report (Section 5.2). It can simulate the observing geometry of both ground-based, and orbital instruments allowing comparisons to be made between them. (2) Comparisons of relative emission intensity, temperatures, and Krassovsky's ratio for space- and ground-based observing geometries. These quantities are used in gravity wave literature to describe the effects of the waves on the airglow. (3) Rejection of Bates [1992], and Copeland [1994] chemistries for gravity wave modeling purposes. Excessive 02(A(sup 13)(Delta)) production led to overproduction of O2(b(sup 1)(Sigma)), the state responsible for the emission of O2. Atmospheric band. Attempts were made to correct for this behavior, but could not adequately compensate for this. (4) Rejection of MSX dataset due to lack of coincident data, and resolution necessary to characterize the waves. A careful search to identify coincident data revealed only four instances, with only one of those providing usable data. Two high latitude overpasses and were contaminated by auroral emissions. Of the remaining two mid-latitude coincidences, one overflight was obscured by cloud, leaving only one ten minute segment of usable data. Aside from the statistical difficulties involved in comparing measurements taken in this short period, the instrument lacks the necessary resolution to determine the vertical wavelength of the gravity wave. This means that the wave cannot be uniquely characterized from space with this dataset. Since no observed wave can be uniquely identified, model comparisons are not possible.

Source record↗

SRM Internal Flow Tests and Computational Fluid Dynamic Analysis: CFD RSRM Full-Scale Analyses - Volume 2

This document presents the full-scale analyses of the CFD RSRM. The RSRM model was developed with a 20 second burn time. The following are presented as part of the full-scale analyses: (1) RSRM embedded inclusion analysis; (2) RSRM igniter nozzle design analysis; (3) Nozzle Joint 4 erosion anomaly; (4) RSRM full motor port slag accumulation analysis; (5) RSRM motor analysis of two-phase flow in the aft segment/submerged nozzle region; (6) Completion of 3-D Analysis of the hot air nozzle manifold; (7) Bates Motor distributed combustion test case; and (8) Three Dimensional Polysulfide Bump Analysis.

Source record↗