Model potential calculations of sodium and potassium oscillator strengths
Na and K transition oscillator strengths, noting core polarization effects on mathematical model
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Na and K transition oscillator strengths, noting core polarization effects on mathematical model
Semi-empirical potentials are constructed that have eigenvalues close in magnitude to the binding energies of the valence electron in lithium. The potentials include the long range polarization force between the electron and the core. The corresponding eigenfunctions are used to calculate dynamic polarizabilities, discrete oscillator strengths, photoionization cross sections and radiative recombination coefficients. A consistent application of the theory imposes a modification on the transition operator, but its effects are small for lithium. The method presented can be regarded as a numerical generalization of the widely used Coulomb approximation.
The development of the large-scale eddy structure of a circular jet is calculated from a potential flow model which includes the vorticity distribution. The model exhibits all the observed general features of high Reynolds number jet flows although it is constrained to remain axisymmetric. The far acoustic field is calculated from the predicted unsteady vorticity distribution.
The interatomic V(r) found by potential-model calculations is compared to an ab initio calculation of the intermolecular potential for NeH+ due to Peyerimhoff (1965). The reason for a rather significant difference in the two results is discussed, and a new method due to Remler (1971) involving Regge poles is applied. The method can be used to calculate the differential cross section, where the starting point for such calculations is based on intuition in light of the classical deflection function.
The profiles of CO, NO, O3, water vapor, and temperature, observed in 1985 during and after a series of convective events over rural areas of the south-central United States, were used to model the nonurban ozone production rates and to evaluate the effects of convective clouds on the tropospheric trace-gas chemistry. A comparison of trace-gas profiles measured in and around a large cumulonimbus during its dissipation showed that ozone production in the upper troposphere may be increased fourfold by convection relative to undisturbed air. The convective enhancement of O3 production for the entire tropospheric comlumn was found to be about 50 percent.
A unique coordinated data set consisting of vector magnetograms, H-alpha photographs, and high-resolution ultraviolet images of a solar active region is used, together with mathematical models, to calculate potential and force-free magnetic field lines and to examine the nonpotential nature of the active region structure. It is found that the overall bipolar magnetic field of the active region had a net twist corresponding to net current of order 3 x 10 to the 12th A and average density of order 4 x 10 to the -4th A/sq m flowing antiparallel to the field. There were three regions of enhanced nonpotentiality in the interior of the active region; in one the field had a marked nonpotential twist or shear with height above the photosphere. The measured total nonpotential magnetic energy stored in the entire active region was of order 10 to the 32nd ergs, about 3 sigma above the noise level.
A simple charge balance model based on the work of DeForest was adapted for the calculation of spacecraft potentials. The model was calibrated with ATS 5 plasma data. Once calibrated, the model was used to calculate the time-varying potential that was observed as a spacecraft passes in and out of eclipse. Errors on the order of + or - 800 volts were observed over a range of 0 to -10,000 volts. Possible applications of the model to large space structures are discussed.
Potential flow model for calculating jet interference effects on V/STOL aircraft
Photodissociation cross sections from the ground state of NH2 have been calculated using a pseudodiatomic model. The potential curves needed in these calculations, functions of one NH bond length, were obtained by ab initio MCSCF calculations on the five lowest doublet states of NH2 using a contracted Gaussian basis set of double zeta quality augmented by polarization and Rydberg functions. Transition dipole moments between the ground and excited states were evaluated using MCSCF wave functions.
Various three dimensional inlet models were calculated based on the potential flow model. Results are presented in the forms of surface static pressure, flow angularity, surface flow pattern, and inlet flow field. It is indicated that the extension of the lower lip can reduce the adverse pressure gradient and increase the flow separation bound.
Trailing edge data for boundary layer-near wake thickness parameters are given for airfoils and flat plates. Reynolds number effects are examined as a function of model size, velocity and boundary layer tripping. These data expand that presented previously by the authors particularly for airfoil non-zero angles of attack. Comparisons are made here with boundary layer calculations using potential flow modeling and a well documented two-dimensional finite-difference method for laminar and turbulent boundary layers. Open wind tunnel corrections to angle of attack and camber are developed and are incorporated in the potential flow modeling to assure correct comparisons for non-zero angles of attack. It was found that although the open tunnel flow turbulence affected boundary layer transition for the higher velocities the theory successfully 'brackets' the data. Comparisons demonstrate the degree of accuracy one might expect for the prediction of boundary layer thickness parameters when given only geometry and nominal flow conditions as input to boundary layer codes.
A calculation has been made of the elastic scattering and rotational excitation cross sections for e(-)-N2 scattering at 30 and 50 eV using quantum chemical techniques specially designed to be applicable to elastic and inelastic electron scattering by general polyatomic molecules. The angle dependence of the sum of the elastic and rotational excitation differential cross sections is in good agreement with experiment at all scattering angles at both energies, but at 50 eV the difference from experiment exceeds the experimental uncertainty at small scattering angles and near the minimum of the differential cross section. At large scattering angles the rotational excitation cross sections are predicted to exceed the elastic scattering cross sections. The absolute cross sections agree with experiment at some angles but at other angles are as much as 51% (30 eV) or 90% (50 eV) higher; this may be due at least in part to the difficulty of putting the experimental results on an absolute scale.
Converged rotational close coupling calculations of differential, integral, and momentum-transfer cross sections are obtained for seven model potentials for electron-N2 scattering at an impact energy of 30 eV. The model potentials involve a static potential calculated by the INDO/1s or INDOXI/1s method, and exchange potential calculated by the semiclassical exchange approximation from the INDO/1s or INDOXI/1s unperturbed electron density and a polarization potential. The polarization potentials used include the Buckley-Burke semiempirical one and various modifications of the INDOXI and INDO SCF (self-consistent-field) adiabatic polarization potentials. Without adjustment of parameters, good agreement is obtained with the angle dependence of the experimentally measured sum of the elastic and rotational excitation differential cross sections; however, the absolute value of the calculated cross sections is about 20-30% larger than the measured values in the best case, perhaps indicating that the model potentials are too strong or should have a nonzero imaginary part.
The structure of the heliospheric magnetic field changes substantially during the 11 year sunspot cycle. Its configuration for the period 1976 through 1982 using a potential field model was calculated. The structure during the rising phase, maximum, and early decline of sunspot cycle 21, from 1978 to 1982 is considered.
A model is developed for the estimation of the surface fluxes of momentum, heat, and moisture of the cloud topped marine atmospheric boundary layer by use of satellite remotely sensed parameters. The parameters chosen for the problem are the integrated liquid water content, q sub li, the integrated water vapor content, q sub vi, the cloud top temperature, and either a measure of the 10 meter neutral wind speed or the friction velocity at the surface. Under the assumption of a horizontally homogeneous, well-mixed boundary layer, the model calculates the equivalent potential temperature and total water profiles of the boundary layer along with the boundary layer height from inputs of q sub li, q sub vi, and cloud top temperature. These values, along with the 10m neutral wind speed or friction velocity and the sea surface temperature are then used to estimate the surface fluxes. The development of a scheme to parameterize the integrated water vapor outside of the boundary layer for the cases of cold air outbreak and California coastal stratus is presented.
Current models exist that predict the damage caused by the impact of aluminum oxide exhaust particles as well as their lifetime in useable space. In these models, two necessary inputs are the size and flux of the particles. An experiment, referred to as the Plume Witness Plate, was designed for the Remote Manipulator System of the space shuttle orbiter to measure in-situ the flux and material effects of a solid rocket motor (SRM) firing in space. Five different types of samples were used to provide a broad range of substances: (1) fused quartz glass (representative of orbiter windows); (2) germanium micrometeroid capture cells; (3) orbiter HRTS tiles from the thermal protection system; (4) Kapton foil; and (5) metallic disks of aluminum, copper, titanium, graphite epoxy, and gold. The analyses of the data show excellent agreement with ground-based SRM firings in terms of particle size distribution and mass distribution. The Particle Impact Damage Integrator computer model used to calculate potential damage of orbiter surfaces by SRM exhaust plumes agrees favorable with the results in terms of particle size and velocity distributions though it may be conservative by as much as 20%.
During this six month period of the Simulation Studies for Surfaces and Materials Strength program investigations were carried out in two general areas: (1) Energy barriers and structural transitions between isomers of small Al clusters were investigated. In this study an empirical potential function which was parametrized based on accurate first principle results was employed; (2) A comparative study was conducted to investigate the applicability of most commonly employed model potential functions in calculating various bulk, surface and small cluster properties.
The present study investigates the effect of biomass burning on the water cycle using a case study of the Chari-Logone Catchment of Lake Chad Basin. The Chari-Logone catchment was selected since it supplies over 90% of the water input to the Lake, which is the largest basin in the NSSA. Two water balance simulations, one considering burning and one without, were compared from the years 2003 to 2011. For a more comprehensive assessment of the effects of burning, albedo change, which has been shown to have a significant impact on a number of environmental factors, was used as a model input for calculating potential evapotranspiration. Analysis of the burning scenario show that burning grassland, which composes almost 75% of Chari-Logone total land cover, causes increased ET and runoff during winter months. Recent studies have demonstrated the increasing trend in LCB of converting shrubland, grassland, and wetlands to cropland. This change from grassland to cropland has the potential of decreasing water available to water bodies during the winter. All vegetative classes in a burning scenario showed a decrease in ET during the wet season, supporting the idea that, with increased burning, there would be a severe decrease of precipitation.