Search NASA⌕ Search

SEARCH · Search NASA

Results for “Wave function”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 217 records · Page 12

A comment on some drawbacks of monostatic radars

All Mesosphere, Stratosphere, Troposphere (MST) radars now in operation or under construction use the monostatic mode, that is to say, the same antenna for both transmitting and receiving. Consequently, it is never possible to determine more than one component of the atmospheric velocity at one point in space. Two important properties of gravity waves which are difficult if not impossible to determine by the monostatic method are discussed. The first of these is the polarization of the gravity waves; that is, the complex ratio of the wave functions of vertical and horizontal motion. A second quantity of importance is the horizontal wavelength of gravity waves. Both of these problems could be overcome by use of a bistatic system. Such a system has the additional advantage of making it possible to measure at very low altitudes, and to look away from the transmitter (for example to make a horizontal section through a thunderstorm). However, bistatic operation, in the practical sense, requires not only an additional highly directive antenna, but also that both the transmitting and receiving antennas should be fully steerable.

Bowhill, S. A.↗

Radiative transfer theory for active remote sensing of a layer of nonspherical particles

The radiative transfer theory is applied to calculate the scattering by a layer of randomly positioned and oriented nonspherical particles. The scattering amplitude functions of each individual particle are calculated with Waterman's T matrix method, which utilizes vector spherical wave functions for expansion of incident, scattered, and surface fields. The orientation of the particles is described by a probability density function of the Eulerian angles of rotation. A rotation matrix is used to relate the T matrix of the principal frame to that of the natural frame of the particle. The extinction matrix and phase matrix of the radiative transfer equations are expressed in terms of the T matrix elements. The extinction matrix for nonspherical particles is generally nondiagonal. There are only two attenuation rates in a specified direction of propagation. The radiative transfer equations are solved by an iterative method to first order in albedo. Numerical results are illustrated as functions of incidence angle and frequency with applications to active remote sensing.

Tsang, L.↗

Results of an ISEE-1 experiment to study the interactions between energetic particles and discrete VLF waves in the magnetosphere

Despite the malfunctioning of the digital portion of the experiment which is encoding the absolute amplitude of the wave spectrum with a fixed bias of approximately 20 dB, the analog portion of the instrument is acquiring excellent data concerning the wave function and relative amplitude. Results obtained over a 2-year period which have important implications for magnetospheric wave-particle interactions are examined in the areas of emission generation by nonconducted coherent waves, and cold plasma distribution in the inner magnetosphere.

Source record↗

Rigorous solutions for sound radiation from circular ducts with hyperbolic horns or infinite plane baffle

A rigorous treatment is presented of sound radiation from circular ducts with either a hyperbolic horn or an infinite plane baffle. In the analysis hyperboloidal wave functions are used, which are defined here, for the first time, as a class of eigensolutions of the wave equation for oblate spheroidal co-ordinates. The numerical results include the complex conversion (or reflection) coefficients and the radiation directivity for various incident wave modes, spinning modes as well as axisymmetric modes. The solutions are valid for the whole frequency range including frequencies above and below the cut-off frequencies of the duct modes involved.

Cho, Y. C.↗

Calculation of the Full Scattering Amplitude without Partial Wave Decomposition II

As is well known, the full scattering amplitude can be expressed as an integral involving the complete scattering wave function. We have shown that the integral can be simplified and used in a practical way. Initial application to electron-hydrogen scattering without exchange was highly successful. The Schrodinger equation (SE) can be reduced to a 2d partial differential equation (pde), and was solved using the finite element method. We have now included exchange by solving the resultant SE, in the static exchange approximation. The resultant equation can be reduced to a pair of coupled pde's, to which the finite element method can still be applied. The resultant scattering amplitudes, both singlet and triplet, as a function of angle can be calculated for various energies. The results are in excellent agreement with converged partial wave results.

Shertzer, J.↗

Phase Inversion: Inferring Solar Subphotospheric Flow and Other Asphericity from the Distortion of Acoustic Waves

A method is proposed for analyzing an almost monochromatic train of waves propagating in a single direction in an inhomogeneous medium that is not otherwise changing in time. An effective phase is defined in terms of the Hilbert transform of the wave function, which is related, via the JWKB approximation, to the spatial variation of the background state against which the wave is propagating. The contaminating effect of interference between the truly monochromatic components of the train is eliminated using its propagation properties. Measurement errors, provided they are uncorrelated, are manifest as rapidly varying noise; although that noise can dominate the raw phase-processed signal, it can largely be removed by low-pass filtering. The intended purpose of the analysis is to determine the distortion of solar oscillations induced by horizontal structural variation and material flow. It should be possible to apply the method directly to sectoral modes. The horizontal phase distortion provides a measure of longitudinally averaged properties of the Sun in the vicinity of the equator, averaged also in radius down to the depth to which the modes penetrate. By combining such averages from different modes, the two-dimensional variation can be inferred by standard inversion techniques. After taking due account of horizontal refraction, it should be possible to apply the technique also to locally sectoral modes that propagate obliquely to the equator and thereby build a network of lateral averages at each radius, from which the full three-dimensional structure of the Sun can, in principle, be determined as an inverse Radon transform.

Gough, Douglas↗

Hydrogen atom in intense magnetic field.

The structure of a hydrogen atom situated in an intense magnetic field is investigaged. Three approaches are employed. An elementary Bohr picture establishes a crucial magnetic field strength, H sub a approximately equal to 5 x 10 to the 9th G. Fields in excess of H sub a are intense in that they are able to modify the characteristic atomic scales of length and binding energy. A second approach solves the Schrodinger equation by a combination of variational methods and perturbation theory. It yields analytic expressions for the wave functions and energy eigenvalues. A third approach determines the energy eigenvalues by reducing the Schrodinger equation to a one-dimensional wave equation, which is then solved numerically. Energy eigenvalues are tabulated for field strengths of 2 x 10 to the 10th G and 2 x 10 to the 12th G. It is found that at 2 x 10 to the 12th G the lowest energy eigenvalue is changed from -13.6 to about -180 eV in agreement with previous variational computations.

Canuto, V.↗

The Photodetachment of Ps ion and Low-Energy e(+) -H Collisions

Two calculations in the area of positron collisions are presented. The first is the calculation of the photodetachment cross section of the positronium negative ion (Ps-) using accurate variational wave functions for both the initial bound-state and the final P continuum state. The second is the calculation of partial wave cross sections for Ps(1s)-formation in ef -H(ls) collisions using the hyperspherical hidden crossing method. Since the S-wave Stiickelberg phase is close to pi, the very small S-wave Ps(1s) formation cross section can be understood in terms of destructive interference. Other examples in positron collisions are given where it is either known or expected that destructive interference is the cause of the small S-wave Ps(1s) formation cross section. In addition, examples are presented of processes in atomic physics where the Stiickelberg phase is a multiple of pi/2.

Ward, S.J.↗

Siple station experiments on wave-particle interactions in the magnetosphere

Natural and controlled whistler-mode signals have been used to study nonlinear mechanisms of wave growth and wave-wave interactions (WWI) in the magnetosphere; three general classes of WWI (triggering, suppression, and entrainment) are identified and interpreted in terms of a model based on cyclotron resonance interaction. This model is also used to estimate the wave field intensity associated with different types of WWI. A new type of triggered emission, the band-limited impulse (BLI) is interpreted in terms of the switching of phase-bunched currents. In addition, an experiment to find a threshold for the excitation of the coherent wave instability is discussed, and observed VLF wave-induced transient bursts of X-rays, light and E-region ionization enhancements are considered with regard to a step function wave interacting with all resonant electrons in a given energy range.

Helliwell, R. A.↗

The Failure of Correlation to Describe Out-of-Plane Carbon=Carbon Bending

Carbon-carbon multiply bonded systems are improperly described with standard correlation methods and basis sets. For computations of vibrational modes, the out-of- plane bends can be reported as imaginary at worst or simply too low at best. Utilizing the simplest of aromatic structures (cyclopropenylidene) and various levels of theory, this work diagnoses this known behavior for the first time. A combined 1-particle and n-particle basis set effect conspire to produce these non-physical results. When moving from sp2 to sp3 hybridization in the carbon atoms, the larger number of basis functions overcorrects the energy. This is exacerbated by correlation methods. These allow for occupation of the π and π∗ orbitals in the expanded wave function that combine with the hydrogen s orbitals. As a result, the improperly described space can be further and non-physically stabilized by post-Hartree-Fock correlation. This represents a fundamental problem with at least Hartree-Fock based methods of all flavors in describing carbon. Beyond being a flaw in quantum chemical theory, other repercussions will be present in computations regarding spectroscopy as well as energy and environmental studies where highly-accurate hydrocabon vibrational transitions or thermochemical data are needed.

Fortenberry, Ryan C.↗

P-Wave Electron-Hydrogen Scattering

A variational wave function incorporating short range correlations via Hylleraas type functions plus long-range polarization terms of the polarized orbital type but with smooth cut-off factors has been used to calculate P-wave phase shifts for electron-hydrogen scattering. This approach gives the direct r(exp -4) potential and a non-local optical potential which is definite. The resulting phase shifts have rigorous lower bounds and the convergence is much faster than those obtained without the modification of the target function. Final results will be presented at the conference.

Bhtia, Anand↗

Annihilation during positron-hydrogen collisions

Using the precision s- and p-wave elastic-scattering wave functions obtained previously, we have calculated the annihilation rate for positrons colliding with hydrogen atoms below the positronium-formation threshold. The s-wave results agree well with those of Humberston, while the p-wave results, which are new, contribute about 20% of the total at the higher energies.

Bhatia, A. K.↗

A time-dependent wave packet approach to atom-diatom reactive collision probabilities - Theory and application to the H + H2(J = 0) system

This paper describes a new approach to the study of atom-diatom reactive collisions in three dimensions employing wave packets and the time-dependent Schroedinger equation. The method uses a projection operator approach to couple the inelastic and reactive portions of the total wave function and optical potentials to circumvent the necessity of using product arrangement coordinates. Reactive transition probabilities are calculated from the state resolved flux of the wave packet as it leaves the interaction region in the direction of the reactive arrangement channel. The present approach is used to obtain such vibrationally resolved probabilities for the three-dimensional H + H2 (J = 0) hydrogen exchange reaction, using a body-fixed system of coordinates.

Neuhauser, Daniel↗

Which nanowire couples better electrically to a metal contact: Armchair or zigzag nanotube?

The fundamental question of how chirality affects tile electronic coupling of a nanotube to metal contacts is important for tile application of nanotubes as nanowires. We show that metallic-zigzag nanotubes are superior to armchair nanotubes as nanowires, by modeling the metal-nanotube interface. More specifically, we show that as a function of coupling strength, the total electron transmission of armchair nanotubes increases and tends to be pinned close to unity for a metal with Fermi wave vector close to that of gold. In contrast, the transmission probability of zigzag nanotubes increases to the maximum possible value of two. The origin of these effects lies in the details of the wave function, which is explained.

Anantram, M. P.↗

Complex-coordinate calculation of (1,3)P resonances in Ps(-) using Hylleraas functions

An accurate calculation for (1,3)P autodetaching resonances in Ps(-) has been carried out using the complex-rotation method, which has the advantage of giving resonance position and width at the same time. The wave function is of the Hylleraas type with an available number of terms up to 1140. One 1P and two 3P resonances below the n = 2 threshold and two 1P and two 3P resonances below the n = 3 threshold of the positronium atom. Resonance parameters are compared with those obtained from scattering and adiabatic calculations where available.

Bhatia, A. K.↗

Isothermal Equation Of State For Compressed Solids

Same equation with three adjustable parameters applies to different materials. Improved equation of state describes pressure on solid as function of relative volume at constant temperature. Even though types of interatomic interactions differ from one substance to another, form of equation determined primarily by overlap of electron wave functions during compression. Consequently, equation universal in sense it applies to variety of substances, including ionic, metallic, covalent, and rare-gas solids. Only three parameters needed to describe equation for given material.

Vinet, Pascal↗

Calculation of Free-Free Opacities

Free-free absorption is an important contribution to the opacity for radiation transport through hot materials Temperatures can be as high as several keV, such that it becomes a computational challenge to solve the Schrodinger equation efficiently for rapidly oscillating continuum functions for high angular momenta. Several groups\footnots, including ours, have studied the phase amplitude solution (PAS) of the Schrodinger equation, in which one solves equations for the wave function amplitude and phase, which are: smooth functions of the electron energy. It is also important to have an accurate Schroudinger benchmark for the development of the PAS method. We present results for dipole matrix elements, Gaunt factors, and cross sections for the absorption of radiation at various energies for Cs XIX at temperature=100 eV and density=0.187 g/cc for our newly developed PAS and Schrodinger benchmark.

Bhatia, A. K.↗

Theoretical calculation of ozone vibrational infrared intensities

An ab initio dipole moment function for ozone has been computed using the CASSCF (complete active space self-consistent field) method, and forms the basis for a calculation of ozone infrared band intensities. Vibrational wave functions were generated using the variational method with potential energy surfaces derived from experimental force constants. Computed values of the permanent dipole moment, dipole moment derivatives, and infrared band strengths are all found to be in remarkably good agreement with experiment. Intensities are predicted for hot bands for which experimental values are unavailable, and implications for atmospheric ozone spectroscopy are discussed. As the dipole moment matrix element signs are now established for nearly all of the observed bands, further refinement of the dipole moment function is possible.

Adler-Golden, S. M.↗