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At least 55 records · Page 3

Calculations of molecular ionization energies using a self-consistent-charge Hartree-Fock-Slater method

A numerical-variational method for performing self-consistent molecular calculations in the Hartree-Fock-Slater (HFS) model is presented. Molecular wavefunctions are expanded in terms of basis sets constructed from numerical HFS solutions of selected one-center atomlike problems. Binding energies and wavefunctions for the molecules are generated using a discrete variational method for a given molecular potential. In the self-consistent-charge (SCC) approximation to the complete self-consistent-field (SCF) method, results of a Mulliken population analysis of the molecular eigenfunctions are used in each iteration to produce 'atomic' occupation numbers. The simplest SCC potential is then obtained from overlapping spherical atomlike charge distributions. Molecular ionization energies are calculated using the transition-state procedure; results are given for CO, H2O, H2S, AlCl, InCl, and the Ni5O surface complex. Agreement between experimental and theoretical ionization energies for the free-molecule valence levels is generally within 1 eV. The simple SCC procedure gives a reasonably good approximation to the molecular potential, as shown by comparison with experiment, and with complete SCF calculations for CO, H2O, and H2S.

Rosen, A.

A self-consistent model of a corotating Jovian magnetosphere

In the rotation-dominated model of the Jovian magnetosphere, proposed in the present paper, the plasma current distribution is dynamically consistent with the magnetic field. The model is constructed under the assumptions of an ionospheric plasma source without pitch angle scattering; loss-free radiation transport through flux tube interchange diffusion; and a static balance between centrifugal force and magnetic stress. Using these assumptions, a dynamic equation is derived for a self-consistent field configuration having a single adjustable parameter that is related to the plasma source strength. The equation is solved by an iterative technique. The self-consistent field resembles a radially distorted dipole field, rather than the flat magnetodisk configuration inferred from Pioneer data. The implication is that such a magnetodisk field would require an equatorial plasma source rather than a source at the feet of the field lines.

Carbary, J. F.

Study of the consistency of climatological products of Nimbus-7

The study, in addition to investigating the consistency of climatological products from Nimbus-7 Earth Radiation Budget and Temperature Humidity Infrared Radiometer experiments, focussed on the climatological analysis of the specified regions of the Earth. The climatological study consisted of the effects of various types of clouds on the net radiation, albedos, and emitted radiation. In addition to a correlational study for determining consistency level of data, a population study of the regions was formulated and conducted. The regions under this study were formed by clustering the target areas using the criteria of climatological conditions such as geography, ocean, and land. Research is limited to tropics from 18 deg north to 18 deg south. A correlational study indicates that there is high positive correlation between high clouds and albedo, and a reduced negative correlation between albedo and net radiation.

Dhuria, Harbans L.

A consistent-mode indicator for the eigensystem realization algorithm

A new method is described for assessing the consistency of model parameters identified with the Eigensystem Realization Algorithm (ERA). Identification results show varying consistency in practice due to many sources, including high modal density, nonlinearity, and inadequate excitation. Consistency is considered to be a reliable indicator of accuracy. The new method is the culmination of many years of experience in developing a practical implementation of the Eigensystem Realization Algorithm. The effectiveness of the method is illustrated using data from NASA Langley's Controls-Structures-Interaction Evolutionary Model.

Pappa, Richard S.

A consistent-mode indicator for the eigensystem realization algorithm

A new method is described for assessing the consistency of structural modal parameters identified with the Eigensystem Realization Algorithm. Identification results show varying consistency in practice due to many sources including high modal density, nonlinearity, and inadequate excitation. Consistency is considered to be a reliable indicator of accuracy. The new method is the culmination of many years of experience in developing a practical implementation of the Eigensystem Realization Algorithm. The effectiveness of the method is illustrated using data from NASA Langley's Controls-Structures-Interaction Evolutionary Model.

Pappa, R. S.

Self-consistent models for triaxial galaxies with flat rotation curves - The disk case

We examine the possibility of constructing scale-free triaxial logarithmic potentials self-consistently, using Schwarzschild's linear programing method. In particular, we explore the limit of nonaxisymmetric disks. In this case it is possible to reduce the problem to the self-consistent reconstruction of the disk surface density on the unit circle, a considerably simpler problem than the usual 2D or 3D one. Models with surface densities of the form Sigma = (x exp n + (y/q) exp n) exp - 1/n with n = 2 or 4 are investigated. We show that the complicated shapes of the 'boxlet' orbit families (which replace the box orbit family found in potentials with smooth cores) limit the possibility of building self-consistent models, though elliptical disks of axis ratio above 0.7 and a restricted range of boxier models can be constructed. This result relies on using sufficiently fine bins, smaller than the 10 deg bins commonly used in 2D or 3D investigations. It also indicates the need for caution in interpreting N-body models of triaxial halos in which the core of the potential is numerically smoothed.

Kuijken, Konrad

Self-consistent electrostatic potential due to trapped plasma in the magnetosphere

A steady state solution for the self-consistent electrostatic potential due to a plasma confined in a magnetic flux tube is considered. A steady state distribution function is constructed for the trapped particles from the constants of the motion, in the absence of waves and collisions. Using Liouville's theorem, the particle density along the geomagnetic field is determined and found to depend on the local magnetic field, self-consistent electric potential, and the equatorial plasma distribution function. A hot anisotropic magnetospheric plasma in steady state is modeled by a bi-Maxwellian at the equator. The self-consistent electric potential along the magnetic field is calculated assuming quasineutrality, and the potential drop is found to be approximately equal to the average kinetic energy of the equatorially trapped plasma. The potential is compared with that obtained by Alfven and Faelthammar (1963).

Miller, Ronald H.

On the use of the consistent mass matrix in flexible multibody systems

Two different methods are used in finite element structural analysis to define element mass distribution: consistent and lumped mass approximations. The lumped mass method is currently favored in multibody dynamics software packages because of its computational efficiency. This paper, however, presents a multibody dynamics formulation based on the consistent mass approach which should prove to be as computationally efficient as the lumped mass approach. It is shown that when component flexibility is modelled using modal coordinates, the equations of motion, as formulated by these two methods, are very similar in appearance, thereby facilitating their comparison. It is also shown, through simulation of a simple multibody system, that a system formulated with the lumped mass approximation will often require more finite elements and smaller integration step sizes than the corresponding consistent mass system.

Anthony, Tobin C.

A formally verified algorithm for interactive consistency under a hybrid fault model

Consistent distribution of single-source data to replicated computing channels is a fundamental problem in fault-tolerant system design. The 'Oral Messages' (OM) algorithm solves this problem of Interactive Consistency (Byzantine Agreement) assuming that all faults are worst-cass. Thambidurai and Park introduced a 'hybrid' fault model that distinguished three fault modes: asymmetric (Byzantine), symmetric, and benign; they also exhibited, along with an informal 'proof of correctness', a modified version of OM. Unfortunately, their algorithm is flawed. The discipline of mechanically checked formal verification eventually enabled us to develop a correct algorithm for Interactive Consistency under the hybrid fault model. This algorithm withstands $a$ asymmetric, $s$ symmetric, and $b$ benign faults simultaneously, using $m+1$ rounds, provided $n is greater than 2a + 2s + b + m$, and $m\geg a$. We present this algorithm, discuss its subtle points, and describe its formal specification and verification in PVS. We argue that formal verification systems such as PVS are now sufficiently effective that their application to fault-tolerance algorithms should be considered routine.

Lincoln, Patrick

A rapid-pressure correlation representation consistent with the Taylor-Proudman theorem materially-frame-indifferent in the 2D limit

A nonlinear representation for the rapid-pressure correlation appearing in the Reynolds stress equations, consistent with the Taylor-Proudman theorem, is presented. The representation insures that the modeled second-order equations are frame-invariant with respect to rotation when the flow is two-dimensional in planes perpendicular to the axis of rotation. The representation satisfies realizability in a new way: a special ansatz is used to obtain analytically, the values of coefficients valid away from the realizability limit: the model coefficients are functions of the state of the turbulence that are valid for all states of the mechanical turbulence attaining their constant limiting values only when the limit state is achieved. Utilization of all the mathematical constraints are not enough to specify all the coefficients in the model. The unspecified coefficients appear as free parameters which are used to insure that the representation is asymptotically consistent with the known equilibrium states of a homogeneous sheared turbulence. This is done by insuring that the modeled evolution equations have the same fixed points as those obtained from computer and laboratory experiments for the homogeneous shear. Results of computations of the homogeneous shear, with and without rotation, and with stabilizing and destabilizing curvature, are shown. Results are consistently better, in a wide class of flows which the model not been calibrated, than those obtained with other nonlinear models.

Ristorcelli, J. R.

BATSE gamma-ray burst line search. 2: Bayesian consistency methodology

We describe a Bayesian methodology to evaluate the consistency between the reported Ginga and Burst and Transient Source Experiment (BATSE) detections of absorption features in gamma-ray burst spectra. Currently no features have been detected by BATSE, but this methodology will still be applicable if and when such features are discovered. The Bayesian methodology permits the comparison of hypotheses regarding the two detectors' observations and makes explicit the subjective aspects of our analysis (e.g., the quantification of our confidence in detector performance). We also present non-Bayesian consistency statistics. Based on preliminary calculations of line detectability, we find that both the Bayesian and non-Bayesian techniques show that the BATSE and Ginga observations are consistent given our understanding of these detectors.

Band, D. L.

Self-consistent solar wind-LISM interaction including neutrals: A 4-fluid model

We investigate the interaction between the heliosphere and local interstellar medium, including charge-exchange self-consistently between the neutral and ionized components. The system is modelled as consisting of neutral hydrogen, protons and electrons. The electrons are assumed to contribute to the dynamics via a pressure that is everywhere equal to the proton pressure. The fluid equations for the protons and hydrogen are solved self-consistently, assuming the two species interact only via charge exchange. The protons are treated as a single isotropic fluid. The hydrogen is decomposed into three isotropic fluids: hydrogen of interstellar origin with characteristic temperature of approximately 104 K, hydrogen produced via charge exchange in the post-shock solar wind, with characteristic temperature of approximately 105 K, and hydrogen produced via charge exchange in the supersonic solar wind, relatively cool but expanding radially outward with the solar wind speed. Two-Dimensional time-dependent numerical simulations of this system are performed to calculate the number density, temperature and bulk velocity of neutral hydrogen and plasma everywhere in the heliosphere. These quantities are compared to relevant solar wind observations. Implications for the pick-up process in the supersonic solar wind, as well as heating and deceleration of the wind, are addressed.

Williams, L. L.

Self-Consistent Thermal Accretion Disk Corona Models for Compact Objects. I: Properties of the Corona and the Spectrum of Escaping Radiation

We present the properties of accretion disk corona (ADC) models in which the radiation field, the temperature, and the total opacity of the corona are determined self-consistently. We use a nonlinear Monte Carlo code to perform the calculations. As an example, we discuss models in which the corona is situated above and below a cold accretion disk with a plane-parallel (slab) geometry, similar to the model of Haardt & Maraschi. By Comptonizing the soft radiation emitted by the accretion disk, the corona is responsible for producing the high-energy component of the escaping radiation. Our models include the reprocessing of radiation in the accretion disk. Here the photons either are Compton-reflected or photoabsorbed, giving rise to fluorescent line emission and thermal emission. The self- consistent coronal temperature is determined by balancing heating (due to viscous energy dissipation) with Compton cooling, determined using the fully relativistic, angle-dependent cross sections. The total opacity is found by balancing pair productions with annihilations. We find that, for a disk temperature kT(sub BB) approx. less than 200 eV, these coronae are unable to have a self-consistent temperature higher than approx. 140 keV if the total optical depth is approx. less than 0.2, regardless of the compactness parameter of the corona and the seed opacity. This limitation corresponds to the angle-averaged spectrum of escaping radiation having a photon index approx. greater than 1.8 within the 5-30 keV band. Finally, all models that have reprocessing features also predict a large thermal excess at lower energies. These constraints make explaining the X-ray spectra of persistent black hole candidates with ADC models very problematic.

Dove, James B.

Self-Consistent Thermal Accretion Disk Corona Models for Compact Objects: Application to Cygnus X-1 - II

We apply our self-consistent accretion disk corona (ADC) model, with two different geometries, to the broadband X-ray spectrum of the black hole candidate Cygnus X-1. As shown in a companion paper, models in which the Comptonizing medium is a slab surrounding the cold accretion disk cannot have a temperature higher than about 140 keV for optical depths greater than 0.2, resulting in spectra that are much softer than the observed 10-30 keV spectrum of Cyg X-1. In addition, the slab-geometry models predict a substantial "soft excess" at low energies, a feature not observed for Cyg X-1, and Fe K-alpha fluorescence lines that are stronger than observed. Previous Comptonization models in the literature have invoked a slab geometry with optical depth tau(sub T) approx. greater than 0.3 and coronal temperature T(sub c) approx. 150 keV, but they are not self-consistent. Therefore, ADC models with a slab geometry are not appropriate for explaining the X-ray spectrum of Cyg X-1. Models with a spherical corona and an exterior disk, however, predict much higher self-consistent coronal temperatures than the slab-geometry models. The higher coronal temperatures are due to the lower amount of reprocessing of coronal radiation in the accretion disk, giving rise to a lower Compton cooling rate. Therefore, for the sphere-plus-disk geometry, the predicted spectrum can be hard enough to describe the observed X-ray continuum of Cyg X-1 while predicting Fe fluorescence lines having an equivalent width of approx. 40 eV. Our best-fit parameter values for the sphere-plus-disk geometry are tau(sub T) approx. equal to 1.5 and T(sub c) approx. equal to 90 keV.

Dove, James B.

Internal Consistency of the NVAP Water Vapor Dataset

The NVAP (NASA Water Vapor Project) dataset is a global dataset at 1 x 1 degree spatial resolution consisting of daily, pentad, and monthly atmospheric precipitable water (PW) products. The analysis blends measurements from the Television and Infrared Operational Satellite (TIROS) Operational Vertical Sounder (TOVS), the Special Sensor Microwave/Imager (SSM/I), and radiosonde observations into a daily collage of PW. The original dataset consisted of five years of data from 1988 to 1992. Recent updates have added three additional years (1993-1995) and incorporated procedural and algorithm changes from the original methodology. Since each of the PW sources (TOVS, SSM/I, and radiosonde) do not provide global coverage, each of these sources compliment one another by providing spatial coverage over regions and during times where the other is not available. For this type of spatial and temporal blending to be successful, each of the source components should have similar or compatible accuracies. If this is not the case, regional and time varying biases may be manifested in the NVAP dataset. This study examines the consistency of the NVAP source data by comparing daily collocated TOVS and SSM/I PW retrievals with collocated radiosonde PW observations. The daily PW intercomparisons are performed over the time period of the dataset and for various regions.

Suggs, Ronnie J.

TiCl, TiH and TiH+ Bond Energies, a Test of a Correlation Consistent Ti Basis Set

Correlation consistent basis sets are developed for Ti atom. The polarization functions are optimized for the average of the 3F and 5F states. One series of correlation consistent basis sets is for 3d and 4s correlation, while the second series includes 3s and 3p correlation as well as 3d and 4s correlation. These basis sets are tested using the Ti 3F-5F separation and the dissociation energies of TiCl X4Phi, TiH X4Phi, and TiH(+) X3Phi. The CCSD(T) complete basis set limit values are determined by extrapolation. The Douglas Kroll approach is used to compute the scalar relativistic effect. Spin-orbit effects are taken from experiment and/or computed at the CASSCF level. The Ti 3F-5F separation is in excellent agreement with experiment, while the TiCl, TiH, and TiH(+) bond energies are in good agreement with experiment. Extrapolation with the valence basis set is consistent with other atoms, while including 3s and 3p correlation appears to make extrapolation.

Bauschlicher, Charles W., Jr.

New Interstellar Dust Models Consistent with Interstellar Extinction, Emission and Abundances Constraints

We present new interstellar dust models that are consistent with both, the FUV to near-IR extinction and infrared (IR) emission measurements from the diffuse interstellar medium. The models are characterized by different dust compositions and abundances. The problem we solve consists of determining the size distribution of the various dust components of the model. This problem is a typical ill-posed inversion problem which we solve using the regularization approach. We reproduce the Li Draine (2001, ApJ, 554, 778) results, however their model requires an excessive amount of interstellar silicon (48 ppM of hydrogen compared to the 36 ppM available for an ISM of solar composition) to be locked up in dust. We found that dust models consisting of PAHs, amorphous silicate, graphite, and composite grains made up from silicates, organic refractory, and water ice, provide an improved fit to the extinction and IR emission measurements, while still requiring a subsolar amount of silicon to be in the dust. This research was supported by NASA Astrophysical Theory Program NRA 99-OSS-01.

Zubko, V.

Self-Consistent Model of Magnetospheric Ring Current and Electromagnetic Ion Cyclotron Waves: The 2-7 May 1998 Storm

A complete description of a self-consistent model of magnetospheric ring current interacting with electromagnetic ion cyclotron waves is presented. The model is based on the system of two kinetic equations; one equation describes the ring current ion dynamics, and another equation describes the wave evolution. The effects on ring current ions interacting with electromagnetic ion cyclotron waves and back on waves are considered self-consistently by solving both equations on a global magnetospheric scale under nonsteady state conditions. The developed model is employed to simulate the entire 2-7 May 1998 storm period. First, the trapped number fluxes of the ring current protons are calculated and presented along with comparison with the data measured by the three- dimensional hot plasma instrument Polar/HYDRA. Incorporating in the model the wave-particle interaction leads to much better agreement between the experimental data and the model results. Second, examining of the wave (MLT, L shell) distributions produced by the model during the storm progress reveals an essential intensification of the wave emission about 2 days after the main phase of the storm. This result is well consistent with the earlier ground-based observations. Finally, the theoretical shapes and the occurrence rates of the wave power spectral densities are studied. It is found that about 2 days after the storm s main phase on 4 May, mainly non-Gaussian shapes of power spectral densities are produced.

Khazanov, G. V.