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Results for “Self-consistent calculations”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
NASA NTRS1976

A nearly exact MCSCF+CI calculation of the dissociation energy of OH

The dissociation energy and dipole moment of the ground state of OH have been obtained with a newly developed multiconfiguration, self-consistent field plus configuration interaction CDC 7600 computer program. The computed value of the dissociation energy is 4.62 eV, which is within the uncertainty limits for the experimental value of 4.63 plus or minus 0.01 eV. The computed value of the dipole moment is 1.645 D, which is very close to the experimental result of 1.66 plus or minus 0.01 D. The present results are also compared to the data obtained from similar calculations with the BISON-MC computer program developed by Das and Wahl.

Arnold, J. O.↗
NASA NTRS1973

The wavelength dependence of the albedos of Uranus and Neptune from 0.3 to 1.1 micron.

Narrow-band photoelectric photometry was made of Uranus and Neptune over a wavelength interval from 0.3 to 1.1 micron. The wavelength dependence of the geometric albedo was determined for these planets. Evidence is given that the comparison star used resembles the sun very closely in its energy distribution. It is shown that, apart from methane, another opacity source seems to be necessary in the atmospheres of these planets to explain the observed wavelength dependence of the geometric albedo for the two planets simultaneously. Radiative transfer calculations were made to determine if the previously suggested pressure-induced dipole absorptions of H2 result in a self-consistent explanation. This seems to be the case. The H2 abundance in this case is limited for both planets between 350 km amagat less than or equal to N(H2) less than 800 km amagat. This agrees with a previous determination of the H2 abundance for Uranus.

Wamsteker, W.↗
NASA NTRS1975

N-body simulations of disks

The methods used in large-scale n-body simulations are discussed. However, the present review concentrates on results already obtained in n-body simulations using systems containing up to 200,000 simulation stars. Results are presented which show that the stability criterion developed for flattened systems applies only to truly axisymmetric instabilities. Purely stellar disks acquire rather large velocity dispersions, generally two or more times the velocity dispersion required by Toomre (1964) for axisymmetric stability. In computer simulations, the bar-forming instability can be prevented only by comparatively large velocity dispersions. However, simulations including the effects of the galactic halo and core as a fixed background field show that bar formation can be prevented for fixed halo components as large or larger than the self-consistent disk component. Experiments performed to determine the collisional relaxation time for large-scale gravitational n-body calculations show that these models are indeed 'collisionless'.

Hohl, F.↗
NASA NTRS1974

Numerical modelling of instantaneous plate tectonics

Assuming lithospheric plates to be rigid, 68 spreading rates, 62 fracture zones trends, and 106 earthquake slip vectors are systematically inverted to obtain a self-consistent model of instantaneous relative motions for eleven major plates. The inverse problem is linearized and solved iteratively by a maximum-likelihood procedure. Because the uncertainties in the data are small, Gaussian statistics are shown to be adequate. The use of a linear theory permits (1) the calculation of the uncertainties in the various angular velocity vectors caused by uncertainties in the data, and (2) quantitative examination of the distribution of information within the data set. The existence of a self-consistent model satisfying all the data is strong justification of the rigid plate assumption. Slow movement between North and South America is shown to be resolvable.

Minster, J. B.↗
NASA NTRS1977

Theoretical aspects of sounder antenna operation

The fundamental problem of calculating the radiation from an electric dipole immersed in a magnetoplasma is one of solving Maxwell's equations coupled to the self-consistent field-particle equations describing the plasma. For very small applied antenna voltages, the plasma dynamics may be linearized, and the plasma reaction currents computed self-consistently in terms of the voltage on the antenna. Thus, the short dipole can be idealized as a point dipole of moment P sub o = C sub a, V sub o el, where C sub a is the antenna element-to-plasma capacitance for a sheath of dimensions roughly several plasma Debye lengths and el is the dipole element's length. In actual practice, it is at this point that the first difficulty with the antenna theory arises. Even for small signals, the sheath around such an antenna will exhibit a complex impedance. For larger signals, nonlinear effects appear. Attemps are made to solve this problem.

Fredricks, R. W.↗
NASA NTRS1967

Spin-projected and extended SCF calculations.

Spin restricted, unrestricted, projected unrestricted and extended SCF wave functions energies compared, discussing calculation method for spin extended SCF functions

WAVE FUNCTION↗
NASA NTRS1975

Measurement of the fluxes of galactic cosmic-ray H-2 and He-3 in 1972-1973

This paper reports measurements of the fluxes of cosmic-ray H-2 and He-3 during 1972-1973, carried out by instruments on board the IMP-7 and Pioneer 10 spacecraft. Energy spectra are generally consistent with a positive slope of unity, as would be expected for modulated secondary components. A self-consistent data set is proposed spanning the period from 1965 to 1973 wherein all spectra have the same kinematic behavior. The measured spectra for 1972-1973 are compared with calculated interstellar spectra, and it is concluded that only very broad limits can be placed on the amount of modulation. Ratios of the form H-2/He-4 and He-3/He-4 are examined and compared with calculated values based on an assumed exponential path-length distribution for galactic propagation. It is concluded that unless extreme assumptions are made about the modulation (e.g., no energy loss), it is impossible to reconcile the simple theory and observation. A nearby source is apparently required to supply enough low-energy He-4 to account for the low values of the H-2/He-4 and He-3/He-4 ratios. The possible relationship between this source and the recently discovered enhancements of cosmic-ray N and O is discussed.

Teegarden, B. J.↗
NASA NTRS1969

Numerical results in the statistical theory of thermal turbulence

Several statistical theories of turbulence are applied to thermal convection problem, and are compared in a series of numerical calculations. Results are presented for both the case of very large and very small Prandtl numbers, and for moderate Rayleigh numbers. The theories compared are the direct-interaction approximation, the self-consistent field approximation, the quasi-linear approximation, the quasi-normal approximation, and a 'Markovianized' quasi-normal approximation. Results for these theories are then compared with some simple exact solutions to the statistical problem. The results indicate that the direct-interaction and the self-consistent field method give satisfactory results at all Rayleigh numbers investigated, whereas the procedures based on the quasi-normal approximation give sensible results only at small Rayleigh numbers.

Herring, J. R.↗
NASA NTRS1974

Theoretical helium I emission-line intensities for quiescent prominences

Self-consistent solutions of the combined statistical equilibrium and transfer equations have been carried out for a rather complete multilevel, multi-ion model helium atom in model quiescent prominences. The excitation and ionization of both He I and He II were considered simultaneously, and detailed calculations of the radiative transfer in the resonance lines and ground-state continua of both these ions were made, allowing for the effects of overlapping hydrogen transitions. A large number of excited states have been included in the computation, so that a fairly comprehensive set of predicted subordinate line intensities are now available for comparison with observation. A preliminary comparison of the predicted values with published singlet/triplet ratio observations shows good agreement for all the pairs of lines considered.

Heasley, J. N.↗
NASA NTRS1986

Group-kinetic theory of turbulence

The two phases are governed by two coupled systems of Navier-Stokes equations. The couplings are nonlinear. These equations describe the microdynamical state of turbulence, and are transformed into a master equation. By scaling, a kinetic hierarchy is generated in the form of groups, representing the spectral evolution, the diffusivity and the relaxation. The loss of memory in formulating the relaxation yields the closure. The network of sub-distributions that participates in the relaxation is simulated by a self-consistent porous medium, so that the average effect on the diffusivity is to make it approach equilibrium. The kinetic equation of turbulence is derived. The method of moments reverts it to the continuum. The equation of spectral evolution is obtained and the transport properties are calculated. In inertia turbulence, the Kolmogoroff law for weak coupling and the spectrum for the strong coupling are found. As the fluid analog, the nonlinear Schrodinger equation has a driving force in the form of emission of solitons by velocity fluctuations, and is used to describe the microdynamical state of turbulence. In order for the emission together with the modulation to participate in the transport processes, the non-homogeneous Schrodinger equation is transformed into a homogeneous master equation. By group-scaling, the master equation is decomposed into a system of transport equations, replacing the Bogoliubov system of equations of many-particle distributions. It is in the relaxation that the memory is lost when the ensemble of higher-order distributions is simulated by an effective porous medium. The closure is thus found. The kinetic equation is derived and transformed into the equation of spectral flow.

Tchen, C. M.↗
NASA NTRS1977

A reexamination of two-fluid solar wind models

The two-fluid solar-wind equations have been solved by a method which is approximately 50 times faster than any previously developed, through the use of asymptotic expansions which are self-consistently iterated upon to find a solution that passes through the critical point. The energy assumptions in two-fluid solar-wind models are reexamined, and the conclusions are as follows: (1) proton thermal conduction may not be neglected, (2) the Coulomb logarithm must be calculated as a function of radius, and (3) the electron and proton temperatures at the base need not be equal, even when the time scale for energy exchange between the species is an order of magnitude smaller than the expansion time at the base. It is possible to reproduce reasonable quiet-time solar-wind parameters at 1 AU, but only if the proton temperature is approximately twice the electron temperature at 1 solar radius. This may indicate that extended proton heating is important in the outer solar corona. Winds with velocities at 1 AU of 450 km/s are generated without nonthermal energy deposition but require high proton temperatures as well as very low densities at the base. Higher-velocity solutions are not possible in a spherically symmetric geometry for reasonable particle fluxes at 1 AU, and it is suggested that these higher-velocity states probably require additional heating, acceleration mechanisms, or nonradial flow.

Nerney, S.↗
NASA NTRS1967

Estimate of the Total Energy of the Beh(sub 2) Molecule

The existence of gaseous BeH 2 , predicted from simple valence theory, has still not been established experimentally. We have estimated the total energy of this molecule, assumed linear symmetric, as the sum of four negative terms; the calculated SCF energy, the SCF error to the Hartree-Fock limit, the correlation energy to the exact nonrelativistic energy, and the relativistic energy.

Molecular energy↗
NASA NTRS1976

Theoretical investigation of protonated carbon dioxide

The equilibrium structure of CO2H(+) has been obtained from self-consistent field and configuration interaction wave functions. Only one stable form has been found, a linear O-C-O chain with the hydrogen bonded to oxygen and slightly off axis, in analogy with known isoelectronic species. A second structure protonated at carbon, which has been inferred from mass spectrometric studies, is found to be unstable with respect to spontaneous rearrangement. The proton affinity of CO2 is calculated to be 136 kcal/mole, in reasonable agreement with the most recent experimental value.

Green, S.↗
NASA NTRS1976

Accretion onto magnetized neutron stars - Structure and interchange instability of a model magnetosphere

A self-consistent model is analyzed for the spherical infall of weakly magnetized plasma into the magnetosphere of a slowly rotating, strongly magnetized neutron star. It is shown that spherical infall is probably a good approximation for X-ray sources which accrete from a stellar wind. The location of the standoff shock which halts the hypersonic infall is estimated along with the emission from the shocked layer. The location of the equilibrium magnetopause and the structure of the magnetic field within it are calculated; it is found that the magnetic poles are true cusps and that the entry of gas due to equilibrium flow across a cusp is almost certainly dominated by the interchange instability near the magnetic equator. The energy principle is applied to derive necessary conditions for the occurrence of this instability. The results indicate that the strong magnetic-pressure gradient stabilizes the gas unless moderately strong radiative cooling takes place and that the cooled plasma enters the magnetosphere as long filaments capable of moving between field lines. The rate at which the equilibrium magnetopause can 'absorb' mass and momentum is derived, the validity of the approximations employed is discussed, and the likely evolution of the sinking filaments is outlined to show that the spatial distribution of the plasma is determined mainly by the dynamics and thermodynamics of the filaments rather than the magnetic-field structure.

Arons, J.↗
NASA NTRS1977

The continuous UV flux of Alpha Lyrae - Non-LTE results

Non-LTE calculations for the ultraviolet C I and Si I continuous opacity show that LTE results overestimate the importance of these sources of opacity and underestimate the emergent flux in Alpha Lyr. The largest errors occur between 1100 and 1160 A, where the predicted flux in non-LTE is as much as 50 times larger than in LTE, in reasonable accord with Copernicus observations. The discrepancy between LTE models and observations has been interpreted to result from the existence of a chromosphere. Until a self-consistent non-LTE model atmosphere becomes available, such an interpretation is premature.

Snijders, M. A. J.↗
NASA NTRS1977

Boundary-value problem of configurations with compressible free vortex flow

A self-consistent version of the compressible boundary-value problem for configurations with leading-edge vortex separation is formulated, based on the assumption that the compressible flow field is controlled by the linearized potential equation. The stream surface boundary condition and the zero pressure jump condition of the compressible free vortex flows are analyzed; application of the Goethert rule permits the compressible nonlinear boundary-value problem for the subsonic flow domain to be transformed into an equivalent nonlinear incompressible problem. The compressibility corrections developed are used in numerical calculations of subsonic leading-edge vortex flows about planar wing geometries. The sample calculations, employing an inviscid flow model in which the wing and vortex sheets are represented by piecewise continuous quadratic doublet sheet distributions, are applicable to high subsonic Mach numbers.

Brune, G. W.↗
NASA NTRS1974

Temperature and density structure of thermal proton flows

Thermal proton flows along magnetic field lines are an important feature of magnetosphere-ionosphere coupling. In this paper we report the results of a theoretical study of the thermal structure of such flows. The adopted steady state model is based upon O+, H+, and electrons with self-consistent solutions for the separate O+, H+, and electron temperatures, the O+ and H+ densities and the H+ drift velocity. Through investigation of a number of parameters affecting the model, it is shown that Joule heating arising from the flow of H+ through O+ preferentially heats H+, so that the H+ temperature is substantially greater than the O+ temperature. Low O+ densities characteristic of the trough region appear to give high H+/O+ temperature ratios. Typical O+ densities characteristic of polar wind flow regions give moderate H+/O3 temperature ratios. The Mach number of H+ outflow is substantially reduced in the present models in comparison with the older fixed temperature calculations.

Banks, P. M.↗