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At least 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
NASA NTRS1975

The plasma sheet boundary and Kp

The paper studies data obtained by the suprathermal ion detector aboard the ATS-1 geostationary satellite in order to establish a relation between the local time occurrence of the plasma sheet at the geostationary orbit (6.6 earth radii) and the Kp index. This relation is then used along with Alfven and Falthammer's (1963) equation for the drift path of an electron moving under the combined influence of a homogeneous electric field and a dipole magnetic field to derive an expression that shows the manner in which the inner boundary of the plasma sheet can be expected to vary radially with Kp along the midnight meridian for Kp less than about 4.

Freeman, J. W.↗
NASA NTRS1991

All-electron molecular Dirac-Hartree-Fock calculations: Properties of the group IV monoxides GeO, SnO and PbO

Dirac-Hartree-Fock calculations have been carried out on the ground states of the group IV monoxides GeO, SnO and PbO. Geometries, dipole moments and infrared data are presented. For comparison, nonrelativistic, first-order perturbation and relativistic effective core potential calculations have also been carried out. Where appropriate the results are compared with the experimental data and previous calculations. Spin-orbit effects are of great importance for PbO, where first-order perturbation theory including only the mass-velocity and Darwin terms is inadequate to predict the relativistic corrections to the properties. The relativistic effective core potential results show a larger deviation from the all-electron values than for the hydrides, and confirm the conclusions drawn on the basis of the hydride calculations.

Dyall, Kenneth G.↗
NASA NTRS1993

All-electron molecular Dirac-Hartree-Fock calculations - Properties of the group IV monoxides GeO, SnO, and PbO

Dirac-Hartree-Fock calculations have been carried out on the ground states of the group IV monoxides GeO, SnO and PbO. Geometries, dipole moments and infrared data are presented. For comparison, nonrelativistic, first-order perturbation and relativistic effective core potential calculations have also been carried out. Where appropriate the results are compared with the experimental data and previous calculations. Spin-orbit effects are of great importance for PbO, where first-order perturbation theory including only the mass-velocity and Darwin terms is inadequate to predict the relativistic corrections to the properties. The relativistic effective core potential results show a larger deviation from the all-electron values than for the hydrides, and confirm the conclusions drawn on the basis of the hydride calculations.

Dyall, Kenneth G.↗
NASA NTRS2014

Mercury's Surface Magnetic Field Determined from Proton-Reflection Magnetometry

Solar wind protons observed by the MESSENGER spacecraft in orbit about Mercury exhibit signatures of precipitation loss to Mercury's surface. We apply proton-reflection magnetometry to sense Mercury's surface magnetic field intensity in the planet's northern and southern hemispheres. The results are consistent with a dipole field offset to the north and show that the technique may be used to resolve regional-scale fields at the surface. The proton loss cones indicate persistent ion precipitation to the surface in the northern magnetospheric cusp region and in the southern hemisphere at low nightside latitudes. The latter observation implies that most of the surface in Mercury's southern hemisphere is continuously bombarded by plasma, in contrast with the premise that the global magnetic field largely protects the planetary surface from the solar wind.

loss cone↗
NASA NTRS1985

DE-1 measurements of AKR wave directions

In addition to its wave rotation sense, the direction of auroral kilometric radiation (AKR) can also be measured with the plasma wave instrument on Dynamics Explorer 1, from the relative phase of the signals received by its orthogonal electric dipole antennas. By this method, which differs in principle from the previous spin-null method for measuring wave directions, it has been found possible to pinpoint the AKR source by triangulation, using measurements from different points along the DE-1 orbit. The resulting apparent source, in one instance, seemed to occupy a well-defined auroral-zone invariant magnetic latitude and showed the expected increase of altitude with decreasing frequency. An analysis of the method also confirmed the validity of the previous rotation sense measurements.

Calvert, W.↗
NASA NTRS2006

Cross Sections for Electron Impact Excitation of Astrophysically Abundant Atoms and Ions

Electron collisional excitation rates and transition probabilities are important for computing electron temperatures and densities, ionization equilibria, and for deriving elemental abundances from emission lines formed in the collisional and photoionized astrophysical plasmas. Accurate representation of target wave functions that properly account for the important correlation and relaxation effects and inclusion of coupling effects including coupling to the continuum are essential components of a reliable collision calculation. Non-orthogonal orbitals technique in multiconfiguration Hartree-Fock approach is used to calculate oscillator strengths and transition probabilities. The effect of coupling to the continuum spectrum is included through the use of pseudostates which are chosen to account for most of the dipole polarizabilities of target states. The B-spline basis is used in the R-matrix approach to calculate electron excitation collision strengths and rates. Results for oscillator strengths and electron excitation collision strengths for transitions in N I, O I, O II, O IV, S X and Fe XIV have been produced

Tayal, S. S.↗
DOE OSTI2021

Partial charge transfer and absence of induced magnetization in EuS(111)/Bi 2 Se 3 heterostructures

We report that heterostructures made from topological and magnetic insulators promise to form excellent platforms for new electronic and spintronic functionalities mediated by interfacial effects. We report the results of a first-principles density functional theory study of the geometric, electronic structure, and magnetic properties of the EuS( 111 )/Bi 2 Se 3 interface, including van der Waals and relativistic spin-orbit effects. In contrast to previous theoretical studies, we find no appreciable magnetic anisotropy in such a heterostructure. We also do not see additional induced magnetization at the interface or the magnetic proximity effect on the topological states. This is due to the localized nature of Eu moments and because of a partial charge transfer of ~ 0.5 electron from Eu to Se. The formation of the surface dipole shifts the Dirac cone about 0.4 eV below the chemical potential, and the associated electrostatic screening moves the topological state from the first to the second quintuple layer of Bi 2 Se 3 .

36 MATERIALS SCIENCE↗
DOE OSTI2022

Genetic-algorithm retrieval of the molecular alignment distribution with high-order harmonics generated from transiently aligned CO 2 molecules

Using genetic algorithm, we propose a method to retrieve the alignment distribution of transiently aligned CO 2 molecules from the high-order harmonic generation (HHG) spectra. The retrieval method is based on the quantitative rescattering (QRS) model where averaged photorecombination transition dipole can be factored out from the parallel (or perpendicular) harmonic spectra after the propagation of the harmonic fields in the gas medium. We examine how the retrieved alignment distributions are affected by uncertainty in alignment dependent ionization probability and on multiple orbital contribution to the HHG. We further confirm that alignment distribution is more accurately retrieved by using the minima in the HHG spectra driven by a long-wavelength laser. In addition, we show that earlier experimental data on the ratios between the perpendicular and the parallel HHG components of aligned CO 2 molecules are in better agreement with the QRS model if the macroscopic propagation and multiple orbital interference are included in the theoretical calculation.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1974

The latitude dependencies of the solar wind

The motion of spacecraft following the earth's orbit occurs within the solar latitude range of 7 deg 15 min N on approximately September 7 to 7 deg 15 min S on approximately March 6. The latitude dependencies so far detected within this range have shown that the photospheric dipole-like field of the sun makes very important contributions to the interplanetary magnetic field (IMF) observed near the ecliptic. Changes in geomagnetic activity from even to odd numbered 11-year solar cycles are related to changes in the sun's dipolar field. The north-south IMF component and meridional, nonradial flow are important to a complete understanding of steady-state solar wind dynamics. Coronal conditions must be latitude-dependent in a way that accounts for the observed latitude dependence of the velocity and density of the solar wind.

Rosenberg, R. L.↗
DOE OSTI2025

Ab-initio simulation of spin-vibronic spectra of methoxy radical

Despite the fact that experimental and theoretical work on the spectrum of methoxy has stretched from the microwave to the ultraviolet and proceeded for nearly 50 years, parts of the spectrum have remained a challenge to simulate theoretically and make reliable line-by-line assignments. The spectral complexity arises because the radical has a non-zero electron spin and significant vibronic coupling between the two elec- tronic components of the ground state due to the presence of a conical intersection. This work describes a completely ab initio effort to understand and assign the spin- vibronic levels of the X 2E state from 0 to above 3000 cm−1, a region that includes the fundamental transitions of the C-H symmetric and asymmetric stretches that have not previously been identified uniquely. A potential energy surface for methoxy was calculated at the EOM-CCSDT/ANO1 level of theory. Subsequently this potential energy surface was fit to a quartic power series expansion of all nine vibrational nor- mal coordinates (as determined at the minimum of the conical intersection) by the use of a machine-learning-based algorithm. After the addition of spin-orbit coupling, the spin-vibronic problem was solved using both the Krylov-Schur and Lanczos algorithms with the SOCJT3 software to converge eigenvalues up to 3500 cm−1 and their eigen- vectors. The latter were used, in conjunction with the calculated dipole moment and its derivatives (calculated using finite differences at EOM-CCSDT/ANO1 level), to determine spectral intensities for the spin-vibronic spectra. The calculated transition frequencies and intensities were used to simulate and assign the observed transitions of the spin-vibronic spectra of the radical. The credibility of the assignments and their significance is discussed in detail.

Sharma, Ketan [University of Florida, Gainesville,↗
NASA NTRS1985

MAGSAT scalar anomaly map of South America

A scalar magnetic anomaly map was prepared for South America and adjacent marine areas directly from original MAGSAT orbits. The preparation of the map poses special problems, notably in the separation of external field and crustal anomalies, and in the reduction of data to a common altitude. External fields are manifested in a long-wavelength ring current effect, a medium-wavelength equatorial electrojet, and short-wavelength noise. The noise is reduced by selecting profiles from quiet periods, and since the electrojet is confined primarily to dusk profiles, its effect is minimized by drawing the data set from dawn profiles only. The ring current is corrected through the use of the standard ring current equation, augmented by further filtering with a Butterworth bandpass filter. Under the assumption that the time-variant ring current is best removed when a replication of redundant profiles is achieved, a test set of 25 groups of 3 nearly coincident orbits per group is set up for filtering with a range of long-wavelength cutoffs to determine which cutoff best replicates the residual profiles. Altitude differences are then normalized by an inversion of the profile data onto a grid of equivalent point dipoles, and recalculated at an altitude of 350 km. The resulting map, when compared to the 2 deg averaged map, shows more coherent anomalies, with notable differences in the region affected by the electrojet.

Ridgway, J. R.↗
NASA NTRS1995

Prediction of the interplanetary magnetic field strength

A new model of the coronal and interplanetary magnetic field can predict both the interplanetary magnetic field strength and its polarity from measurements of the photospheric magnetic field. The model includes the effects of the large-scale horizontal electric currents flowing in the inner corona, of the warped heliospheric current sheet in the upper corona, and of volume currents flowing in the region where the solar wind plasma totally controls the magnetic field. The model matches the MHD solution for a simple dipole test case better than earlier source surface and current sheet models. The strength and polarity of the radial interplanetary magnetic field component predicted for quiet time samples in each year from 1977 to 1986 agree with observations made near the Earth's orbit better than the hybrid MHD-source surface model (Wang and Sheeley, 1988). The results raise the question of whether coronal holes are the only solar source of the interplantary magnetic field in the solar wind. If some interplanetary flux originates outside coronal holes, the model can match the observed field using the accepted 1.8 saturation correction factor for lambda 5250 A magnetograph observations. Requiring open flux to come exclusively from coronal holes requires and additional factor of two.

Zhao, Xuepu↗
DOE OSTI2022

High-resolution infrared spectroscopy of supersonically cooled singlet carbenes: Bromomethylene (HCBr) in the CH stretch region

First high-resolution spectra of cold (~35 K) singlet bromomethylene HCBr in the CH stretching (v 1 ) region from 2770 to 2850 cm-1 are reported using near quantum shot-noise limited laser absorption methods in a slit jet supersonic discharge expansion source. Three rovibrational bands are identified at high S/N (20:1 - 40:1) and rotationally assigned to i) the CH stretch fundamental (v 1 ) band $\tilde{X}$(1,0,0) ← $\tilde{X}$ (0,0,0) and ii) vibrational hot bands ($\tilde{X}$(1,1,0) ← $\tilde{X}$(0,1,0) and $\tilde{X}$(1,0,1) ← $\tilde{X}$(0,0,1)) arising from vibrationally excited HCBr populated in the discharge with single quanta in either the H–C–Br bend (v 2 ) or C–Br stretch (v 3 ) modes. Precision rotational constants are reported for a total of six states, with an experimentally determined CH stretch vibrational frequency (2799.38 cm -1 ) in good agreement with previous low-resolution fluorescence studies. Detailed analysis of the fundamental v 1 band highlights the presence of perturbations in the $\tilde{X}$(1,0,0) level, which we tentatively attribute to arise from the nearby triplet state $\tilde{a}$(0,0,1) through spin-orbit interaction or the multiple quanta $\tilde{X}$(0,2,1) singlet state via c-type Coriolis coupling. Reduced-Doppler resolution (60 MHz) in the slit-jet IR spectrometer permits clear observation of nuclear spin hyperfine structure, with experimental line shapes well reproduced by nuclear quadrupole/spin-rotation coupling constants from microwave studies. Lastly, the a-type to b-type transition intensity ratio for the fundamental CH stretch band is notably larger than predicted by a bond-dipole model, which from high level ab initio quantum calculations (CCSD(T)/PVQZ) can be attributed to vibrationally induced “charge-sloshing” of electron density along the polar C–Br bond.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2005

Deep Interior Mission: Imaging the Interior of Near-Earth Asteroids Using Radio Reflection Tomography

Near-Earth asteroids are important exploration targets since they provide clues to the evolution of the solar system. They are also of interest since they present a clear danger to Earth. Our mission objective is to image the internal structure of two NEOs using radio reflection tomography (RRT) in order to explore the record of asteroid origin and impact evolution, and to test the fundamental hypothesis that some NEOs are rubble piles rather than consolidated bodies. Our mission s RRT technique is analogous to doing a CAT scan of the asteroid from orbit. Closely sampled radar echoes are processed to yield volumetric maps of mechanical and compositional boundaries, and to measure interior material dielectric properties. The RRT instrument is a radar that operates at 5 and 15 MHz with two 30-m (tip-to-tip) dipole antennas that are used in a cross-dipole configuration. The radar transmitter and receiver electronics have heritage from JPL's MARSIS contribution to Mars Express, and the antenna is similar to systems used in IMAGE and LACE missions. The 5-MHz channel is designed to penetrate greater than 1 km of basaltic rock, and 15-MHz penetrates a few hundred meters or more. In addition to RRT volumetric imaging, we use redundant color cameras to explore the surface expressions of unit boundaries, in order to relate interior radar imaging to what is observable from spacecraft imaging and from Earth. The camera also yields stereo color imaging for geology and RRT-related compositional analysis. Gravity and high fidelity geodesy are used to explore how interior structure is expressed in shape, density, mass distribution and spin. Ion thruster propulsion is utilized by Deep Interior to enable tomographic radar mapping of multiple asteroids. Within the Discovery AO scheduling parameters we identify two targets, S-type 1999 ND43 (approximately 500 m diameter) and V-type 3908 Nyx (approximately 1 km), asteroids whose compositions bracket the diversity of solar system materials that we are likely to encounter, from undifferentiated to highly evolved. The 5-15 MHz radar is capable of probing more primitive bodies (e.g. comets or C-types) that may be available given other launch schedules. 5 MHz radar easily penetrates, with the required SNR , greater than 1 km of basalt (a good analog for Nyx). Basalt has a greater loss tangent than expected for most asteroids, although iron-rich M-types are probably not appropriate targets. 15 MHz radar penetrates the outer approximately 100 m of rocky 1 km asteroids and the deep interiors of comets. Laboratory studies of the most common NE0 materials expected (S-, C- and V-type meteorite analogs) will commence in 2005.

Safaeinili, A.↗
DOE OSTI2020

Coupled cluster spectroscopic properties of the coinage metal nitrosyls, M–NO (M = Cu, Ag, Au)

Ab initio near-equilibrium potential energy and dipole moment surfaces for the bent CuNO, AgNO, and AuNO molecules have been calculated under the Feller-Peterson-Dixon (FPD) composite framework at the coupled cluster level of theory including complete basis set extrapolation, outer-core correlation, scalar relativistic effects, and spin-orbit coupling. The Brueckner coupled cluster doubles with perturbative triples method, BCCD(T), was used to greatly improve upon CCSD(T), which was particularly problematic for CuNO. In the latter case the BCCD(T) vibrational frequencies showed significant differences compared to CCSD(T), e.g., nearly 65 cm -1 for the NO stretching frequency, and BCCD(T) also resulted in much better agreement with the available experimental frequencies. A full range of ro-vibrational spectroscopic constants are given for all three molecules of this study using the accurate composite potential energy functions and employing 2nd-order vibrational perturbation theory.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1983

Energetic particle microsignatures of Saturn's satellites

During Voyager's 1980 and 1981 encounters with Saturn, the low energy charged particle experiment observed satellite microsignatures in ions and electrons. Each of the five major satellites within Titan's orbit were associated with at least one absorption feature in the high time resolution data. Microsignatures are usually observed in the corotational wake region within about 25 deg in azimuth of a satellite, and do not generally occur at times predicted by a centered, aligned dipole. A better predictive model seems to be that of an aligned, axisymmetric field with significant quadrupole and octupole terms.

Carbary, J. F.↗
DOE OSTI2023

Quantum beats in two-color photoionization to the spin-orbit split continuum of Ar

We report a study of the quantum beats in two-color photoionization of argon. An attosecond extreme ultraviolet pulse train prepares an electronic wave packet of definite odd parity, with total angular momentum J = 1, targeting the states between 14.0 and 14.5 eV from the ground state. Two-photon ionization of this wave packet with a tunable infrared probe pulse makes the constituent states interfere in both continuum channels, corresponding to the core angular momenta j c = 1/2 and 3/2, respectively. We analyze photoelectron spectrograms as a function of the time delay of the probe pulse and identify oscillations due to several pairs of states through Fourier decomposition. We observe phase differences between the corresponding beat signals in the two spin-orbit split continua. Comparison of theoretical simulations with the experimental measurements allows us to interpret the amplitudes and phases of ionization signals. Furthermore, we express the observed phase differences in terms of the off-diagonal elements of the short-range scattering matrix and the dipole matrix elements to the continuum eigenchannels.

74 ATOMIC AND MOLECULAR PHYSICS↗