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At least 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
NASA NTRS1991

An ab initio study of the C3(+) cation using multireference methods

The energy difference between the linear 2 sigma(sup +, sub u) and cyclic 2B(sub 2) structures of C3(+) has been investigated using large (5s3p2d1f) basis sets and multireference electron correlation treatments, including complete active space self consistent fields (CASSCF), multireference configuration interaction (MRCI), and averaged coupled-pair functional (ACPF) methods, as well as the single-reference quadratic configuration interaction (QCISD(T)) method. Our best estimate, including a correction for basis set incompleteness, is that the linear form lies above the cyclic from by 5.2(+1.5 to -1.0) kcal/mol. The 2 sigma(sup +, sub u) state is probably not a transition state, but a local minimum. Reliable computation of the cyclic/linear energy difference in C3(+) is extremely demanding of the electron correlation treatment used: of the single-reference methods previously considered, CCSD(T) and QCISD(T) perform best. The MRCI + Q(0.01)/(4s2p1d) energy separation of 1.68 kcal/mol should provide a comparison standard for other electron correlation methods applied to this system.

Taylor, Peter R.↗
NASA NTRS1975

The dynamic performance of cavitating turbopumps

The evaluation of the transfer function for an axial cavitating inducer in a high performance turbopump is considered. An approach for the evaluation of the compliance and mass flow gain factor can be used as a basis for the determination of the first nonzero terms in the expansions of all the elements in the transfer function. Applications of the described method to turbopumps are discussed and the theoretical results are compared with test observations in the case of the Saturn J2 engine. It is demonstrated that a dynamic transfer function which includes not only a compliance but also a mass flow gain factor is a satisfactory first approximation for a cavitating turbopump.

Brennen, C.↗
NASA NTRS1994

Embedded function methods for compressible high speed turbulent flow

This is the final report on the work performed on the grant 'Embedded Function Methods for Compressible High Speed Turbulent Flow' carried out at Lehigh University during the contract period from September, 1987, to October of 1991. Work has continued at Lehigh on this project on an unfunded basis to the present. The original proposed work had two separate thrusts which were associated with developing embedded function methods in order to obviate the need to expend computational resources on turbulent wall layers in Navier Stokes and boundary-layer calculations. Previous work on the incompressible problem had indicated that this could be done successfully for two-dimensional and three-dimensional incompressible flows. The central objective here was to extend the basic approach to the high speed compressible problem.

Walker, J. D. A.↗
NASA NTRS1973

Distortion generated in angle-modulation systems by phased arrays

The magnitude and characteristics of distortion produced in demodulated signals by corporate-fed phased arrays are reviewed. Graphs depicting distortion, plotted as a function of signal characteristics and array geometry, display the effects of large arrays on broadband signals. These curves show that distortion in angle-modulation systems is more a function of modulation index than of bandwidth. The data presented provide a basis for predicting distortion levels in practical array systems and for extending analyses to other signal-array configurations.

Rogers, J. D.↗
NASA NTRS1979

SCF and CI calculations of the dipole moment function of ozone

The constant and linear terms in a Taylor series expansion of the dipole moment function of the ground state of ozone are calculated with Cartesian Gaussian basis sets ranging in quality from minimal to double zeta plus polarization. Results are presented at both the self-consistent field and configuration-interaction levels. Although the algebraic signs of the linear dipole moment derivatives are all established to be positive, the absolute magnitudes of these quantities, as well as the infrared intensities calculated from them, vary considerably with the level of theory.

Curtiss, L. A.↗
NASA NTRS1981

Effect of long-term intensity variations on pulsar searches and the pulsar luminosity function

Long-term intensity data for five pulsars are used to obtain the probability density distribution of intensities for each pulsar, and it is found that they are described satisfactorily by chi-squared distributions. Based on these distributions, the number of new pulsars expected to be found on repeatedly searching the same region of the sky with the same sensitivity is given. Nearly 25 percent more new pulsars are expected to be found on the first repeat search. It is also shown that the luminosity function deduced from either a single survey or surveys with very different sensitivities is not affected by the omission of flux density variations in the calculation of selection effects. Finally, a method is proposed for deriving the luminosity function by combining the different searches of a given area on the basis of a probabilistic approach to the evaluation of selection effects.

Krishnamohan, S.↗
NASA NTRS1984

Basis set limit geometries for ammonia at the SCF and MP2 levels of theory

The controversy over the Hartree-Fock bond angle of NH3 is resolved and the convergence of the geometry for the molecule as the basis set is systematically improved with both SCF and correlated MP2 wave functions. The results of the geometrical optimizations, carried out in four stages with a series of uncontracted bases sets, are shown. The obtained structure for NH3 supports the results of Radom and Rodwell (1980) that the Hartree-Fock limit angle is significantly greater than was previously believed.

Defrees, D. J.↗
NASA NTRS1985

N2(+) bound quartet and sextet state potential energy curves

The N2(+) potential energies have been determined from a complete active space self-consistent field calculation with active 2s and 2p electrons. A (6s 4p 3d 1f) Gaussian basis set was used together with additional higher angular momentum and diffuse functions. The calculated potential energy curves for the states 4Sigma(mu)(+), 4Pi(g), and 6Sigma(g)(+), for which there are no spectroscopic observations, are presented. The corresponding spectroscopic constants have been determined from a polynomial curve fit to the computed energies near the well minima and are shown. The 6Sigma(g)(+) state is found to be significantly bound, with a minimum at 1.72 A.

Partridge, H.↗
NASA NTRS1986

High-resolution imaging of solar system objects

A very extensive Io sodium imaging program beginning with the first images of the cloud and culminating in comprehensive characterization of the cloud's appearance and behavior as a function of both time and Io's orbital position now forms the basis for a collaborative modeling analysis and a continued observational study with emphasis on understanding how the cloud's behavior is diagnostic of spatial and temporal variations in the physical conditions of the inner Jovian magnetosphere. The sodium cloud was found to have a variety of systematic variations, a pronounced east-west orbital asymmetry, and temporal changes which could be diagnostic of time changes in both Io and its plasma environment. New comet imaging programs initiated at the 3.6-meter Canada-France-Hawaii Telescope draw upon both ultra high time resolution and high spatial resolution imaging capabilities. Seven observing runs between Dec. 1984 and May 1986 were devoted to observing Halley, Giacobini-Zinner, and several other comets. Among these observations were the first images of Halley through IHW filters, and images of Giacobini-Zinner during the ICE encounter which have been directly correlated with ICE magnetic field measurements.

Goldberg, B. A.↗
NASA NTRS1987

Vibration-rotational intensities for the X 1Sigma(+) state of A1H and A1D

In the present calculation of vibrational-rotational line strengths for the ground electronic state of A1H and A1D, the vibrational and rotational quantum numbers used are respectively in the Delta-v zero-5 range for v-prime between zero and 15, and J-prime-J of + or - 1 for J-prime in the zero-50 range. The transition matrix elements were obtained on the basis of the Meyer and Rosmus (1975) ab initio dipole-moment function, together with the numerical vibrational-rotational energy function.

Tipping, R. H.↗
NASA NTRS1991

The effects of compressor seventh-stage bleed air extraction on performance of the F100-PW-220 afterburning turbofan engine

A study was conducted to determine the effects of seventh-stage compressor bleed on the performance of the F100 afterburning turbofan engine. The effects of bleed on thrust, specific fuel consumption, fan turbine inlet temperature, bleed total pressure, and bleed total temperature were obtained from the engine manufacturer's status deck computer simulation. These effects were determined for power settings of intermediate, partial afterburning, and maximum afterburning for Mach numbers between 0.6 and 2.2 and for altitudes of 30,000, 40,000, and 50,000 ft. It was found that thrust loss and specific fuel consumption increase were approximately linear functions of bleed flow and, based on a percent-thrust change basis, were approximately independent of power setting.

Evans, Alison B.↗
NASA NTRS1991

Macular Bioaccelerometers on Earth and in Space

Space flight offers the opportunity to study linear bioaccelerometers (vestibular maculas) in the virtual absence of a primary stimulus, gravitational acceleration. Macular research in space is particularly important to NASA because the bioaccelerometers are proving to be weighted neural networks in which information is distributed for parallel processing. Neural networks are plastic and highly adaptive to new environments. Combined morphological-physiological studies of maculas fixed in space and following flight should reveal macular adaptive responses to microgravity, and their time-course. Ground-based research, already begun, using computer-assisted, 3-dimensional reconstruction of macular terminal fields will lead to development of computer models of functioning maculas. This research should continue in conjunction with physiological studies, including work with multichannel electrodes. The results of such a combined effort could usher in a new era in understanding vestibular function on Earth and in space. They can also provide a rational basis for counter-measures to space motion sickness, which may prove troublesome as space voyager encounter new gravitational fields on planets, or must re-adapt to 1 g upon return to earth.

Ross, M. D.↗
NASA NTRS1990

A design for an intelligent monitor and controller for space station electrical power using parallel distributed problem solving

The emphasis is on defining a set of communicating processes for intelligent spacecraft secondary power distribution and control. The computer hardware and software implementation platform for this work is that of the ADEPTS project at the Johnson Space Center (JSC). The electrical power system design which was used as the basis for this research is that of Space Station Freedom, although the functionality of the processes defined here generalize to any permanent manned space power control application. First, the Space Station Electrical Power Subsystem (EPS) hardware to be monitored is described, followed by a set of scenarios describing typical monitor and control activity. Then, the parallel distributed problem solving approach to knowledge engineering is introduced. There follows a two-step presentation of the intelligent software design for secondary power control. The first step decomposes the problem of monitoring and control into three primary functions. Each of the primary functions is described in detail. Suggestions for refinements and embelishments in design specifications are given.

Morris, Robert A.↗
NASA NTRS1991

The computation of C-C and N-N bond dissociation energies for singly, doubly, and triply bonded systems

The bond dissociation energies (De) of C2H2, C2H4, C2H6, N2, N2H2, and N2H4 are studied at various levels of correlation treatment. The convergence of De with respect to the one-particle basis is studied at the single-reference modified coupled-pair-functional (MCPF)level. At all levels of correlation treatment, the errors in the bond dissociation energies increase with the degree of multiple bond character. The multireference configuration-interaction (MRCI) De values, corrected for an estimate of higher excitations, are in excellent agreement with those determined using the size-extensive averaged-coupled-pair-functional (ACPF) method. The full-valence complete-active-space self-consistent-field (CASSCF)/MRCI calculations are reproduced very well by MRCI calculations based on a CASSCF calculation that includes in the active space only those electrons involved in the C-C or N-N bonds.

Langhoff, Stephen R.↗
NASA NTRS1992

Theoretical determination of the alkali-metal superoxide bond energies

The bond dissociation energies for the alkali-metal superoxides have been computed using extensive Gaussian basis sets and treating electron correlation at the modified coupled-pair functional level. Our computed D0 values are 61.4, 37.2, 40.6, and 38.4 kcal/mol for LiO2, NaO2, KO2, and RbO2, respectively. These values, which are expected to be lower bounds and accurate to 2 kcal/mol, agree well with some of the older flame data, but rule out several recent experimental measurements.

Partridge, Harry↗
NASA NTRS1992

Theoretical study of the alkaline-earth metal superoxides BeO2 through SrO2

Three competing bonding mechanisms have been identified for the alkaline-earth metal superoxides: these result in a change in the optimal structure and ground state as the alkaline-earth metal becomes heavier. For example, BeO2 has a linear 3Sigma(-)g ground-state structure, whereas both CaO2 and SrO2 have C(2v)1A1 structures. For MgO2, the theoretical calculations are less definitive, as the 3A2 C(2v) structure is computed to lie only about 3 kcal/mol above the 3Sigma(-)g linear structure. The bond dissociation energies for the alkaline-earth metal superoxides have been computed using extensive Gaussian basis sets and treating electron correlation at the modified coupled-pair functional or coupled-cluster singles and doubles level with a perturbational estimate of the triple excitations.

Bauschlicher, Charles W., Jr.↗
NASA NTRS1993

Dynamics of the globular cluster NGC 362

A combination of V-band CCD images and echelle spectra of member red giants is presently used to examine the internal dynamics of the globular cluster NGC 362. A total of 285 stellar spectra were obtained of 215 stars for radial velocity determinations, and the true cluster binary fraction was determined from simulations to be 0.15 for circular orbits and 0.27 for orbits with an f(e) = e (eccentricity) distribution function. An overabundance of binaries is surmised for NGC 362 on this basis.

Fischer, Philippe↗
NASA NTRS2003

Investigation of Overlap Correction Techniques for the Micro-Pulse Lidar NETwork (MPLNET)

The Micro-Pulse Lidar NETwork (MPLNET) uses elastic-scattering lidars stationed at sites around the globe to produce aerosol and cloud vertical profiles on a continuous year-round basis. Processing of MPLNET data requires a correction for the lidar overlap function in the 0-6 km range, to take into account the loss in near-field receiver efficiency. This correction is normally determined from recording horizontal profiles that require a approximately 10 km clear line-of-sight and homogenous atmospheric conditions, limiting the practicality in which successful corrections can be obtained. An alternative overlap correction method using a secondary receiver is considered that eliminates the need for horizontal measurements. A review of both methods is presented, including a discussion of signal uncertainties.

Berkoff, T. A.↗