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Results for “Dipole approximation”

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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
NASA NTRS2000

Absolute band intensities in the nu19/nu23 (530 cm(-1)) and nu7 (777 cm(-1)) bands of acetone ((CH3)2CO) from 232 to 295 K

Absolute band intensities of acetone ((CH3)2CO) in the nu19/nu23 and nu7 band systems near 530 and 777 cm(-1), respectively, were measured at temperatures of 232, 262 and 295 K, using a Fourier transform infrared (FTIR) spectrometer. No evident temperature dependence for the band intensities was observed. The dipole moments and the fundamental band intensities were derived in the harmonic oscillator approximation. The results are useful for the spectroscopic retrieval of acetone concentrations in the upper atmosphere.

Acetone/chemistry↗
DOE OSTI2026

Charge And Dynamic Current On Tubular Antennas For Various Drive Conditions

The mixed boundary value problem of a tubular conductor is solved using an approximate representation of its Fourier coefficients. A two term solution is derived, which represents the solution over an extremely broad range of aspect ratios. This representation is used to find the electrostatic solution and capacitance of a charged tube as well as the solution of a tube in a uniform field and its dipole moment. This second case is directly useful as a model for a monopole electric field probe. This approximation is a special case of a representation using a combination of Chebyshev and Legendre polynomials. Combining the charged tube and tube in a uniform field allows the solution of voltage driven tubular antennas. Comparisons are made with numerical solutions using piecewise sinusoidal representations of the current. The results are also generalized to the dynamic case and up to and beyond the first resonance. Simple corrections for finite gap and delta gap drives to magnetic frill drives are examined using infinite tube integral transform representations. Corrections between magnetic frill drives and coaxial drives are also given. Approximate drive corrections using conformal mapping and an effective radius are also discussed. Finally, this efficient current representation is applied to the magnetic problem involving simple tubular solenoids.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Polarization-resolved core exciton dynamics in LiF using attosecond transient absorption spectroscopy

The ability to control absorption by modifying the polarization of light presents an exciting opportunity to experimentally determine the orbital alignment of absorption features. Here, attosecond extreme ultraviolet (XUV) transient absorption spectroscopy is used to investigate the polarization dependence of core exciton dynamics in LiF thin films at the Li + K edge. XUV pulses excite electrons from the Li 1s core level into the conduction band, allowing for the formation of a p-orbital-like core exciton, aligned along the XUV light polarization axis. A sub-5 fs near-infrared (NIR) probe pulse then arrives at variable time delays, perturbing the XUV-excited states and allowing the coherence decay of the core exciton to be mapped. The coherence lifetimes are found to be ≈ 2.4 ± 0.4 fs, which is attributed to a phonon-mediated dephasing mechanism as in previous core exciton studies. The differential absorption features are also shown to be sensitive to the relative polarization of the XUV and NIR fields. The parallel NIR probe induces couplings between the initial XUV-excited p-like bright exciton and s-like dark excitons. When crossed pump and probe polarizations are used, the coupling between the bright and dark states is no longer dipole-allowed, and the transient absorption signal associated with the coupling is suppressed by approximately 90%. This interpretation is supported by simulations of a few-level model system, as well as analysis of the calculated band structure. Here, the results indicate that laser polarization can serve as a powerful experimental tool for exploring the orbital alignment of core excitonic states in solid-state materials.

Attosecond laser spectroscopy↗
NASA NTRS1971

Magnetospheric substorms in the distant magnetotail observed by Imp 3.

Study of variations of the magnetic field and plasma sheet in the distant magnetotail (20 to 40 earth radii) during magnetospheric substorms on the basis of the Imp 3 magnetic-field and particle data. Depending on the locations of the satellite with respect to the boundary of the plasma sheet, the variations differ greatly. However, the present results and the results of other workers give a clear indication of an increase of the magnitude of the field outside the plasma sheet and of the simultaneous ?thinning' of the plasma sheet during an early phase of substorms. At about the maximum epoch or during the recovery phase of substorms, the plasma sheet expands and appears to be inflated to at least the presubstorm level. Furthermore, a large excessive flux of the magnetic (approximately equal to Z component) field, as compared with the flux of the original dipole field, appears across the neutral sheet.

Meng, C. I.↗
NASA NTRS1985

Pulsars as cosmic ray particle accelerators: Dynamics of electrons

The Lorentz-Dirac-equation with Landau approximation has been solved numerically for electrons in the electromagnetic field of a magnetic dipole rotating with the angular velocity omega perpendicular to its magnetic moment mu. Results are discussed with respect to electron orbits and energy development.

Thielheim, K. O.↗
NASA NTRS1992

Concept for a lunar array for very low frequency radio astronomy

We discuss the design considerations relevant to a very low frequency array, to be deployed on the lunar near side during an early expedition. Such an array would operate in the frequency range 1-10 MHz, and would consist nominally of 20 antennas distributed over a region approximately 40 km in extent. Each antenna station would consist of a crossed-dipole antenna, together with a receiver, digitizer, solar cells, and batteries. In addition, the station will contain a UHF transmitter for relaying the digitized signal to a central station where it will be transmitted to Earth for subsequent processing, including cross-correlation with signals from other antennas. Each antenna station (including the central station) would be deployed as a self-contained unit, mounted on a miniature robotic vehicle. No fixed structures are required for the array.

Marsh, Kenneth A.↗
NASA NTRS1995

The imprint of proper motion of nonlinear structures on the cosmic microwave background

We investigate the imprint of nonlinear matter condensations on the cosmic microwave background (CMB) in an Omega = 1, cold dark matter (CDM) model universe. Temperature anisotropies are obtained by numerically evolving matter inhomogeneities and CMB photons from the beginning of decoupling until the present epoch. The underlying density field produced by the inhomogeneities is followed from the linear, through the weakly clustered, into the fully nonlinear regime. We concentrate on CMB temperature distortions arising from variations in the gravitational potentials of nonlinear structures. We find two sources of temperature fluctuations produced by time-varying potentials: (1) anisotropies due to intrinsic changes in the gravitational potentials of the inhomogeneities and (2) anisotropies generated by the peculiar, bulk motion of the structures across the microwave sky. Both effects generate CMB anisotropies in the range of 10(exp -7) approximately less than or equal to (Delta T/T) approximately less than or equal to 10(exp -6) on scales of approximately 1 deg. For isolated structures, anisotropies due to proper motion exhibit a dipole-like signature in the CMB sky that in principle could yield information on the transverse velocity of the structures.

Tuluie, Robin↗
NASA NTRS1975

Approximations for the study of drift boundaries in the magnetosphere

An approximate relation between energy and equatorial radial distance for a particle of given equatorial pitch angle moving adiabatically in a dipole magnetic field is used to describe the Alfven layer for particles of arbitrary pitch angle. The convection electric field is assumed to be uniform in the equatorial plane of the magnetosphere, and magnetic field lines are taken to be equipotentials in the region traversed by the magnetospheric particles being studied. Approximate solutions in the high- and low-energy limits are given in a form directly applicable to the interpretation of measurements at fixed particle energy and pitch angle. These results are particularly useful for electrons, since the approximations provide lower bounds to the exact solutions. The results are used to interpret recent Explorer 45 electron measurements of Williams et al. (1974).

Kivelson, M. G.↗
DOE OSTI2022

Pareto Optimization of Oligomer Polarizability and Dipole Moment Using a Genetic Algorithm

High-performance electronic components are highly sought after in order to produce increasingly smaller and cheaper electronic devices. Drawing inspiration from inorganic dielectric materials, in which both polarizability and polarization contribute, organic materials can also maximize both. For a large set of small molecules drawn from PubChem, a Pareto-like front appears between the polarizability and dipole moment, indicating the presence of an apparent trade-off between these two properties. We tested this balance in π-conjugated materials by searching for novel conjugated hexamers with simultaneously large polar- izabilities and dipole moments with potential use for dielectric materials. Using a genetic algorithm (GA) screening technique in conjunction with an approximate density functional tight-binding method for property calculations, we were able to efficiently search chemical space for optimal hexamers. Given the scope of chemical space, using the GA technique saves considerable time and resources by speeding up molecular searches compared to a systematic search. Here, we also explored the underlying structure–function relationships, including sequence and monomer properties, that characterize large polarizability and dipole moment regimes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1973

Estimation of dipole-quadrupole dispersion energies.

The calculation of the dipole-quadrupole dispersion coefficient is discussed through a perturbation and a variation method. Accurate combination rules are obtained from both methods, one new and one already known. Further approximations permit computations in terms of accessible parameters. Values are calculated for the interactions of atomic pairs formed from hydrogen, alkali, and rare-gas atoms. A new relation giving the dipole-quadrupole coefficient in terms of the dipole-dipole coefficient and the dipole and quadrupole polarizabilities seems accurate, but needs further testing.

Alvarez-Rizzatti, M.↗
DOE OSTI2020

Study of self-interaction errors in density functional predictions of dipole polarizabilities and ionization energies of water clusters using Perdew-Zunger and locally scaled self-interaction corrected methods

Here, we studied the effects of self-interaction error (SIE) on the static dipole polarizabilities of water clusters modelled with three increasingly sophisticated, non-empirical density functional approximations (DFAs), viz. the local spin density approximation (LDA), the Perdew-Burke-Ernzherof (PBE) generalized-gradient approximation (GGA), and the strongly constrained and appropriately normed (SCAN) meta-GGA, using the Perdew-Zunger self-interaction-correction (PZ-SIC) energy functional in the Fermi-Lowdin orbital SIC (FLO-SIC) framework. Our results show that while all three DFAs overestimate the cluster polarizabilities, the description systematically improves from LDA to PBE to SCAN. The self-correlation free SCAN predicts polarizabilities quite accurately with a mean absolute error (MAE) of 0.58 Bohr 3 with respect to coupled cluster singles and doubles (CCSD) values. Removing SIE using PZ-SIC correctly reduces the DFA polarizabilities, but over-corrects, resulting in underestimated polarizabilities in SIC-LDA, -PBE, and -SCAN. Finally, we applied a recently proposed local-scaling SIC (LSIC) method using a quasi self-consistent scheme and using the kinetic energy density ratio as an iso-orbital indicator. The results show that the LSIC polarizabilities are in excellent agreement with mean absolute error of 0.08 Bohr 3 for LSIC-LDA and 0.06 Bohr 3 for LSIC-PBE with most recent CCSD polarizabilities. Likewise, the ionization energy estimates as an absolute of highest occupied energy eigenvalue predicted by LSIC are also in excellent agreement with CCSD(T) ionization energies with MAE of 0.4 eV for LSIC-LDA and 0.04 eV for LSIC-PBE. The LSIC-LDA predictions of ionization energies are comparable to the reported GW ionization energies while the LSIC-PBE ionization energies are more accurate than reported GW results.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

In-plane plasmon coupling in topological insulator Bi 2 Se 3 thin films

The surface states of the 3D topological insulator (TI), Bi 2 Se 3 , are known to host two-dimensional Dirac plasmon polaritons (DPPs) in the terahertz spectral range. In TI thin films, the DPPs excited on the top and bottom surfaces couple, leading to an acoustic mode and an optical plasmon mode. Vertical coupling in these materials is, therefore, reasonably well-understood, but in-plane coupling among localized TI DPPs has yet to be investigated. In this paper, we demonstrate in-plane DPP coupling in TI stripe arrays and show that they exhibit dipole–dipole type coupling. Here, the coupling becomes negligible when the lattice constant is greater than approximately 2.8 times the stripe width, which is comparable to results for in-plane coupling of localized plasmons excited on metallic nanoparticles or graphene plasmon polaritons. This understanding could be leveraged for the creation of TI-based metasurfaces.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Optical activity of solids from first principles

Within the framework of independent particle approximation, the optical activity tensor of solids is formulated as from different contributions: the magnetic dipole, electric quadrupole, and band dispersion terms. The first two terms have similar counterparts in the theory of finite systems, whereas the last term is unique for crystals. Further, the magnetic dipole and electric quadrupole transition moments are calculated with a sum-over-states formulation. We apply the formulation to calculate and analyze the optical rotation of elemental tellurium and the circular dichroism of the (6,4) carbon nanotube. Decomposed optical activity into different contributions is discussed. The calculated spectra agree well with experiments. As a showcase of achiral crystals, we calculate the optical activity of wurtzite GaN.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1974

Surface electrical properties experiment. Part 2: Theory of radio-frequency interferometry in geophysical subsurface probing

The radiation fields due to a horizontal electric dipole laid on the surface of a stratified medium were calculated using a geometrical optics approximation, a modal approach, and direct numerical integration. The solutions were obtained from the reflection coefficient formulation and written in integral forms. The calculated interference patterns are compared in terms of the usefulness of the methods used to obtain them. Scattering effects are also discussed and all numerical results for anisotropic and isotropic cases are presented.

Kong, J. A.↗
NASA NTRS1979

Microwave dichroic plate

A dichroic plate for microwave energy includes an array of interlaced crossed slots or dipole elements. Each of the elements includes first and second crossed arms that are at approximately right angles to each other and aligned with X and Y axes. The elements are arranged so that the centers thereof are aligned parallel to the X and Y axes to form columns and rows, and the interlacing is such that a line between the centers of all adjacent elements has nonzero, differing components relative to the X and Y axes. In one embodiment, the spacing between adjacent arms of different, adjacent elements is the same along the X and Y axes, while in a second embodiment, the spacing between similarly directed arms of adjacent elements differs from the spacing between oppositely directed arms of adjacent elements.

Wise, T. E.↗
NASA NTRS1989

Hybrid method in light scattering by an arbitrary particle

A hybrid method for light scattering by an arbitrary particle using the scattering-order formulation of the coupled dipole method is described. An arbitrary particle is divided into two or more segments, and the field scattered by the particle is obtained from the fields scattered by each segment together with the field due to interactions among segments. An exact or approximate theory is used to calculate the scattered field from each segment, and interactions are included using the scattering-order formulation of the coupled dipole method. Calculations show that for certain particles, this hybrid approach can require fewer computations and give more accurate results than the scattering-order method.

Singham, Shermila Brito↗
NASA NTRS1980

Limits on the possible intrinsic magnetic field of Venus

Magnetic field measurements obtained by the Pioneer Venus orbiter at low altitudes in the solar wind wake region are examined for possible surface-correlated features and any possible intrinsic magnetic moment. The field variations observed in the wake do not resemble those expected for a solar wind interaction with even a weak intrinsic magnetic field. Little orbit-to-orbit persistence of features is found in the magnetic records. The magnetic field measurements in the wake are averaged in 10 deg x 10 deg bins to minimize the effects of external field sources. In these 37 bins, the average fields appear to be randomly oriented and consistent with zero mean in the region mapped. Using these 37 averaged vector fields, a maximum intrinsic magnetic dipole moment is obtained of 4.3 + or - 2.0 x 10 to the 21st G cu cm, approximately an order of magnitude less than previous estimates. It is noted that a more conservative estimate of the probable error of the mean is 5.5 x 10 to the 21st G cu cm. The Pioneer Venus measurements are thus consistent with zero planetary moment. The present measurements are found to be far below estimates made on the basis of angular momentum, the so-called magnetic Bode's law, and far below the dynamo scaling law of Busse.

Russell, C. T.↗
NASA NTRS1988

Core-core and core-valence correlation

The effect of (1s) core correlation on properties and energy separations was analyzed using full configuration-interaction (FCI) calculations. The Be 1 S - 1 P, the C 3 P - 5 S and CH+ 1 Sigma + or - 1 Pi separations, and CH+ spectroscopic constants, dipole moment and 1 Sigma + - 1 Pi transition dipole moment were studied. The results of the FCI calculations are compared to those obtained using approximate methods. In addition, the generation of atomic natural orbital (ANO) basis sets, as a method for contracting a primitive basis set for both valence and core correlation, is discussed. When both core-core and core-valence correlation are included in the calculation, no suitable truncated CI approach consistently reproduces the FCI, and contraction of the basis set is very difficult. If the (nearly constant) core-core correlation is eliminated, and only the core-valence correlation is included, CASSCF/MRCI approached reproduce the FCI results and basis set contraction is significantly easier.

Bauschlicher, Charles W., Jr.↗