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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
NASA NTRS1988

A hybrid asymptotic-modal analysis of the EM scattering by an open-ended S-shaped rectangular waveguide cavity

The electromagnetic fields (EM) backscatter from a 3-dimensional perfectly conducting S-shaped open-ended cavity with a planar interior termination is analyzed when it is illuminated by an external plane wave. The analysis is based on a self-consistent multiple scattering method which accounts for the multiple wave interactions between the open end and the interior termination. The scattering matrices which described the reflection and transmission coefficients of the waveguide modes reflected and transmitted at each junction between the different waveguide sections, as well at the scattering from the edges at the open end are found via asymptotic high frequency methods such as the geometrical and physical theories of diffraction used in conjunction with the equivalent current method. The numerical results for an S-shaped inlet cavity are compared with the backscatter from a straight inlet cavity; the backscattered patterns are different because the curvature of an S-shaped inlet cavity redistributes the energy reflected from the interior termination in a way that is different from a straight inlet cavity.

Law, P. H.↗
NASA NTRS1993

Three-dimensional magnetotail equilibria by numerical relaxation techniques

Consideration is given to a numerical method to iteratively approach 3D magnetostatic force equilibria, with modeling emphasis on the development of a suitable model of the earth's magnetotail, including a portion of the inner magnetosphere, i.e., on models which violate the 'tail approximation' commonly employed in analytical models. The numerical approach is compared to methods developed for laboratory plasma physics. The method is applied to the magnetotail outside of 10 R(E), using Tsyganenko's (1987) model for the quiet magnetosphere as an initial condition. The changes of the magnetic field necessary to yield an equilibrium configuration and the resulting distribution of the self-consistently derived pressure are discussed. It is shown that a self-consistent magnetotail equilibrium based on a close approximation to Tsyganenko's requires a region 1 type current system, which is not present in the initial configuration.

Hesse, Michael↗
NASA NTRS1979

SCF treatment of charge polarization effects in intermediate-energy electron scattering calculations with applications to N2

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.

Onda, K.↗
NASA NTRS2018

The Importance of Nightside Magnetometer Observations for Electromagnetic Sounding of the Moon

Understanding the structure and composition of the lunar interior is a fundamental goal in furthering our knowledge of the formation and subsequent evolution of the Earth-Moon system. Among various methods, electromagnetic sounding is a valuable approach to constraining lunar interior structure. Recent analyses of plasma and field observations provide a wealth of understanding about the dynamics of the lunar plasma environment. To perform Time Domain EM (TDEM) Sounding at the Moon, the first step is to characterize the dynamic plasma environment, and to be able to isolate geophysically induced currents from concurrently present plasma currents. The TDEM Sounding transfer function method focuses on analysis of the nightside observations when the Moon is immersed in the solar wind. This method requires two simultaneous observations: an upstream reference measuring the pristine solar wind, and one downstream at or near the lunar surface. This method was last performed during Apollo and assumed the induced fields on the nightside of the Moon expand as in an undisturbed vacuum within the wake cavity. Our results indicate that EM sounding of airless bodies in the solar wind must be interpreted via self-consistent plasma models in order to untangle plasma and induced field contributions, with implications not only at the Moon but at all airless bodies exposed to the solar wind. Nightside TDEM sounding has the capability to advance the state of knowledge of the field of lunar science. This requires magnetometer operations to withstand the harsh conditions of the lunar night.

Haviland, H. Fuqua↗
NASA NTRS1994

Microbial community structure at the U.S.-Joint Global Ocean Flux Study Station ALOHA: Inverse methods for estimating biochemical indicator ratios

Modeling biogeochemical fluxes in the marine plankton requires the application of factors for extrapolation of biomass indicators measured in the field (chlorophyll a, adenosine triphosphate, bacterial counts) to biomass carbon or nitrogen. These are often inferred from culture studies and are poorly constrained for natural populations. At least squares inverse method with a simple linear model constrains the values of several common indicator ratios, giving self-consistent solutions that provide useful information about the structure of the microbial community at our North Pacific Ocean study site (Station ALOHA (A Long-term Oligotrophic Habitat Assessment)). These results indicate that the fraction of the microbial biomass that is autotrophic (pigmented) is greater in the mixed layer than at the deep chlorophyll maximum layer and that heterotrophic bacteria are a significant but not necessarily predominant component of the microbial community in the euphotic zone.

Christian, James R.↗
NASA NTRS1976

Computation on collisionless steady-state plasma flow past a charged disk

A computer method is presented using the 'inside-out' approach, for predicting the structure of the disturbed zone near a moving body in space. The approach uses fewer simplifying assumptions than other available methods, and is applicable to large ranges of the values of body and plasma parameters. Two major advances concerning 3-dimensional bodies are that thermal motions of ions as well as of electrons are treated realistically by following their trajectories in the electric field, and the technique for achieving self-consistency is promising for very large bodies. Three sample solutions were obtained for a disk-shaped body, charged negatively to a potential 4kT/e. With ion Mach number 4, and equal ion and electron temperatures, the wakes of a relatively small body (radius 5 Debye lengths) and a relatively large body (radius 100 Debye lengths) both begin to fill up between 2 and 3 body radii downstream. For the large body there is in addition a potential well (about 6kT/e deep) behind the body. Increasing the ion Mach number to 8 for the large body causes the potential well to become wider and longer but not deeper. For the large body, the quasineutrality assumption is validated outside of a cone-shaped region in the very near wake. For the large as well as the small body, the disturbed zone behind the body extends transversely no more than 2 or 3 body radii, a result of significance for the design of spacecraft boom instrumentation.

Parker, L. W.↗
NASA NTRS1989

A diagnostic for determining the quality of single-reference electron correlation methods

It was recently proposed that the Euclidian norm of the t sub 1 vector of the coupled cluster wave function (normalized by the number of electrons included in the correlation procedure) could be used to determine whether a single-reference-based electron correlation procedure is appropriate. This diagnostic, T sub 1, is defined for use with self consistent field molecular orbitals and is invariant to the same orbital rotations as the coupled cluster energy. T sub 1 is investigated for several different chemical systems which exhibit a range of multireference behavior, and is shown to be an excellent measure of the importance of nondynamical electron correlation and is far superior to C sub 0 from a singles and doubles configuration interaction wave function. It is further suggested that when the aim is to recover a large fraction of the dynamical electron correlation energy, a large T sub 1 (i.e., greater than 0.02) probably indicates the need for a multireference electron correlation procedure.

Lee, Timothy J.↗
NASA NTRS1989

A diagnostic for determining the quality of single-reference electron correlation methods

It was recently proposed that the Euclidian norm of the t(sub 1) vector of the coupled cluster wave function (normalized by the number of electrons included in the correlation procedure) could be used to determine whether a single-reference-based electron correlation procedure is appopriate. This diagnostic, T(sub 1) is defined for use with self-consistent-field molecular orbitals and is invariant to the same orbital rotations as the coupled cluster energy. T(sub 1) is investigated for several different chemical systems which exhibit a range of multireference behavior, and is shown to be an excellent measure of the importance of non-dynamical electron correlation and is far superior to C(sub 0) from a singles and doubles configuration interaction wave function. It is further suggested that when the aim is to recover a large fraction of the dynamical electron correlation energy, a large T(sub 1) (i.e., greater than 0.02) probably indicates the need for a multireference electron correlation procedure.

Lee, Timothy J.↗
NASA NTRS1991

The study of molecular spectroscopy by ab initio methods

This review illustrates the potential of theory for solving spectroscopic problems. The accuracy of approximate techniques for including electron correlation have been calibrated by comparison with full configuration-interaction calculations. Examples of the application of ab initio calculations to vibrational, rotational, and electronic spectroscopy are given. It is shown that the state-averaged, complete active space self-consistent field, multireference configuration-interaction procedure provides a good approach for treating several electronic states accurately in a common molecular orbital basis.

Bauschlicher, Charles W., Jr.↗
NASA NTRS1994

A New Global Potential Energy Surface for the Hydroperoxyl Radical, HO2: Reaction Coefficients for H + O2 and Vibrational Splittings for H Atom Transfer

A new analytic global potential energy surface describing the hydroperoxyl radical system H((sup 2)S) + O2(X (sup 3)Sigma((sup -)(sub g))) (reversible reaction) HO2 ((X-tilde) (sup 2)A'') (reversible reaction) O((sup 3)P) + O H (X (sup 2)Pi) has been fitted using the ab initio complete active space SCF (self-consistent-field)/externally contracted configuration interaction (CASSCF/CCI) energy calculations of Walch and Duchovic. Results of quasiclassical trajectory studies to determine the rate coefficients of the forward and reverse reactions at combustion temperatures will be presented. In addition, vibrational energy levels were calculated using the quantum DVR-DGB (discrete variable representation-distributed Gaussian basis) method and the splitting due to H atom migration is investigated. The material of the proposed presentation was reviewed and the technical content will not reveal any information not already in the public domain and will not give any foreign industry or government a competitive advantage.

Dateo, Christopher E.↗
NASA NTRS2013

The Force-Free Magnetosphere of a Rotating Black Hole

We revisit the Blandford-Znajek process and solve the fundamental equation that governs the structure of the steady-state force-free magnetosphere around a Kerr black hole. The solution depends on the distributions of the magnetic field angular velocity and the poloidal electric current. These are not arbitrary. They are determined self-consistently by requiring that magnetic field lines cross smoothly the two singular surfaces of the problem: the inner "light surface" located inside the ergosphere and the outer "light surface" which is the generalization of the pulsar light cylinder.We find the solution for the simplest possible magnetic field configuration, the split monopole, through a numerical iterative relaxation method analogous to the one that yields the structure of the steady-state axisymmetric force-free pulsar magnetosphere. We obtain the rate of electromagnetic extraction of energy and confirm the results of Blandford and Znajek and of previous time-dependent simulations. Furthermore, we discuss the physical applicability of magnetic field configurations that do not cross both "light surfaces."

Contopoulos, Ioannis↗
NASA NTRS1984

Encapsulation materials research

Encapsulation materials for solar cells were investigated. The different phases consisted of: (1) identification and development of low cost module encapsulation materials; (2) materials reliability examination; and (3) process sensitivity and process development. It is found that outdoor photothermal aging devices (OPT) are the best accelerated aging methods, simulate worst case field conditions, evaluate formulation and module performance and have a possibility for life assessment. Outdoor metallic copper exposure should be avoided, self priming formulations have good storage stability, stabilizers enhance performance, and soil resistance treatment is still effective.

Willis, P. B.↗
NASA NTRS1981

Evolution of magnetic field and atmospheric response. I - Three-dimensional formulation by the method of projected characteristics. II - Formulation of proper boundary equations

The method described as the method of nearcharacteristics by Nakagawa (1980) is renamed the method of projected characteristics. Making full use of properties of the projected characteristics, a new and simpler formulation is developed. As a result, the formulation for the examination of the general three-dimensional problems is presented. It is noted that since in practice numerical solutions must be obtained, the final formulation is given in the form of difference equations. The possibility of including effects of viscous and ohmic dissipations in the formulation is considered, and the physical interpretation is discussed. A systematic manner is then presented for deriving physically self-consistent, time-dependent boundary equations for MHD initial boundary problems. It is demonstrated that the full use of the compatibility equations (differential equations relating variations at two spatial locations and times) is required in determining the time-dependent boundary conditions. In order to provide a clear physical picture as an example, the evolution of axisymmetric global magnetic field by photospheric differential rotation is considered.

Nakagawa, Y.↗
NASA NTRS1987

Potential surfaces for O atom-polymer reactions

Ab initio quantum chemistry methods are used to study the energetics of interactions of O atoms with organic compounds. Polyethylene (CH2)n has been chosen as the model system to study the interactions of O(3P) and O(1D) atoms with polymers. In particular, H abstraction is investigated and polyethylene is represented by a C3 (propane) oligomeric model. The gradient method, as implemented in the GRADSCF package of programs, is used to determine the geometries and energies of products and reactants. The saddle point, barrier geometry is determined by minimizing the squares of the gradients of the potential with respect to the internal coordinates. To correctly describe the change in bonding during the reaction at least a two configuration MCSCF (multiconfiguration self consistent field) or GVB (generalized valence bond) wave function has to be used. Basis sets include standard Pople and Dunning sets, however, increased with polarization functions and diffuse p functions on both the C and O atoms. The latter is important due to the O(-) character of the wave function at the saddle point and products. Normal modes and vibrational energy levels are given for the reactants, saddle points and products. Finally, quantitative energetics are obtained by implementing a small CAS (complete active space) approach followed by limited configuration interaction (CI) calculations. Comparisons are made with available experimental data.

Laskowski, B. C.↗
NASA NTRS1978

Effective core potentials for the cadmium and mercury atoms

Ab initio effective core potentials have been obtained for the cadmium and mercury atoms by the methods of Kahn et al. (1976). Both two and twelve valence electron representations of Cd and Hg were tested for various atom state-configurations by comparison with all-electron calculations. The generated potentials were used to obtain the equilibrium bond distances and molecular binding energies for the dichloride and dimethyl compounds of both atoms from single and optimum-double configuration self-consistent field calculations.

Basch, H.↗
NASA NTRS1991

The equations of nearly incompressible fluids. I - Hydrodynamics, turbulence, and waves

An attempt is made to develop a more general theory of nearly incompressible fluids that can then be applied to many different fields. A perturbation expansion is developed for the fully compressible fluid equations which, in the limit of low Mach number (sound or Alfvenic Mach number), reduce to the appropriate incompressible fluid equations. The method developed derives modified systems of fluid equations in which the compressibility effects are admitted only weakly in terms of the incompressible hydrodynamic solutions ('nearly incompressible hydrodynamics'). Molecular viscosity is included self-consistently, and the role of thermal conduction in an ideal fluid is also considered. With heat conduction included, two distinct routes to incompressibility are found to be possible, distinguished according to the relative magnitudes of the temperature, density, and pressure fluctuations.

Zank, G. P.↗
NASA NTRS1980

MCSCF wave functions for excited states of polar molecules - Application to BeO

A previously reported multi-configuration self-consistent field (MCSCF) algorithm based on the generalized Brillouin theorem is extended in order to treat the excited states of polar molecules. In particular, the algorithm takes into account the proper treatment of nonorthogonality in the space of single excitations and invokes, when necessary, a constrained optimization procedure to prevent the variational collapse of excited states. In addition, a configuration selection scheme (suitable for use in conjunction with extended configuration interaction methods) is proposed for the MCSCF procedure. The algorithm is used to study the low-lying singlet states of BeO, a system which has not previously been studied using an MCSCF procedure. MCSCF wave functions are obtained for three 1 Sigma + and two 1 Pi states. The 1 Sigma + results are juxtaposed with comparable results for MgO in order to assess the generality of the description presented here.

Bauschlicher, C. W., Jr.↗
NASA NTRS1986

Modeling of infrared flux spectra from disk-shaped interstellar dust clouds

Although there is growing observational and theoretical evidence for many disk-shaped objects of astrophysical interest, spherical geometry is assumed in most radiative transfer models. Recently we generalized the quasi-diffusion method developed by Leung (1975, 1976) for spherical geometry to solve the problem of scattering, absorption, and reemission by dust grains in a medium of disk geometry. The method is applicable to a variety of astronomical sources whose dynamics are angular-momentum dominated and hence not accurately treated by spherical geometry, e.g., protoplanetary nebulae, circumstellar disks, bipolar-flow molecular clouds, accretion disks and disk galaxies. Using this technique and realistic grain opacities we construct theoretical models to determine self-consistently the dust temperature distribution and infrared emission from disk-shaped, quiescent dark globules heated externally by the intersteller radiation field. The effects of the following parameters on the temperature structure and the emergent spectrum are studied: grain type (graphite and silicate), optical depth, density inhomogeneity, and degree of disk flattening. The disk models are characterized by an aspect ratio and an optical depth at 0.55 microns. For inhomogeneous models, a gaussian density distribution is assumed such that the ratio of central to surface density is 100. To study the effects of source geometry, we also compare results for models with spherical and disk geometry. In this case both models have the same radius and central optical depth, the disk models having a 1:1 aspect ratio. While the dust temperature distributions in the two cases are very similar, the emergent flux for the disk model depends sensitively on the viewing angle. For clouds which are unresolved, one would expect, since the thermal emission is isotropic in the neighborhood of an emitting grain, and since the emission (in the far infrared) is optically thin, that the emergent flux spectrum should be characteristic only of the dust temperature, and independent of viewing angle. However, because of the lack of complete symmetry and the resulting radiation anisotropy, this is found not to be the case for the disk models. Angle is that it implies a large uncertainty in estimating the radiation dust mass.

Spagna, G. F., Jr.↗