Long-range interatomic dipoles
Interatomic electric dipole moment coefficient derivation by approximation involving accessible atomic properties, noting application to H atoms
Brown, W. B.↗
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Measurement of density and temperature in a hypersonic turbulent boundary layer using the electron beam fluorescence technique
Mean density and temperature fluctuations were measured across the turbulent, cooled-wall boundary layer in a continuous hypersonic (Mach 9.4) wind tunnel in air, using the nitrogen fluorescence excited by a 50 kV electron beam. Data were taken at three values of the tunnel stagnation pressure, the corresponding free stream densities being equivalent to 1.2, 4.0, and 7.4 torr at room temperature, and the boundary layer thicknesses about 4.0, 4.5, and 6.0 inches. The mean temperature and density profiles were similar to those previously determined in the same facility by conventional probes (static and pitot pressure, total temperature). A static pressure variation of about 50% across the boundary layer was found, the shape of the variation changing somewhat for the three stagnation pressure levels. The quadrupole model for rotational temperature spectra gave closer agreement with the free stream isentropic level (approximately 44 K) than the dipole model.
Mcronald, A. D.↗
Trajectory Traces of Charged Particles in the Magnetosphere
The characteristic enhancements of ring current particles with energies of about 1 to 100 keV, associated with magnetospheric substorms, were observed by Explorer 45 around the plasmapause in the afternoon to midnight region, and showed the characteristic structure called a 'nose' in the proton spectrograms. The motion of these particles in the equatorial magnetosphere, under a recently proposed convection electric field and a dipole magnetic field is described. Approximate equations of a bounce period, a second adiabatic invariant, and a bounce-average azimuthal velocity are given with inaccuracies less than about 0.001 for all pitch angles. The complete set of flow patterns of 90 deg pitch angle particles is also presented by means of stagnation lines through which radial drifts and/or azimuthal drifts change their directions. The particle tracings in the magnetosphere give a basic concept to explain the observed nose characteristics.
Ejiri, M.↗
Interactions of the plasma sheet with the lunar surface at the Apollo 14 site
Calculations of the magnetic shadow zones of lunar-based particle detectors are extended to include the effects of local remanent magnetic fields. At the Apollo 14 site, the local magnetic field is approximated as that of a dipole. Numerically calculated open and shadowed zones are shown to be in agreement with quiet-time plasma-sheet observations of the charged-particle lunar-environment experiment. An analysis of three storm-time observations indicates that magnetic shadowing can significantly alter the near-lunar-surface electrostatic potential distribution.
Reiff, P. H.↗
Modeling the thermal structure and magnetic properties of the crust of active regions with application to the Rio Grande rift
Experiments in Curie depth estimation from long wavelength magnetic anomalies are summarized. The heart of the work is equivalent-layer-type magnetization models derived by inversion of high-elevation, long wavelength magnetic anomaly data. The methodology is described in detail in the above references. A magnetization distribution in a thin equivalent layer at the Earth's surface having maximum detail while retaining physical significance, and giving rise to a synthetic anomaly field which makes a best fit to the observed field in a least squares sense is discussed. The apparent magnetization contrast in the equivalent layer is approximated using an array of dipoles distributed in equal area at the Earth's surface. The dipoles are pointed in the direction of the main magnetic field, which carries the implicit assumption that crustal magnetization is dominantly induced or viscous. The determination of the closest possible dipole spacing giving a stable inversion to a solution having physical significance is accomplished by plotting the standard deviation of the solution parameters against their spatial separation for a series of solutions.
Source record↗
Near-Threshold Dipole Strength in 10 Be with Isoscalar Character
Isoscalar dipole transitions are a distinctive fingerprint of cluster structures. A 1 − resonance at 7.27(10) MeV, located just below the 𝛼-emission threshold, has been observed in the deuteron inelastic scattering reactions off 10 Be. The deformation lengths of the excited states in 10 Be below 9 MeV have been inferred from the differential cross sections using coupled channel calculations. This observed 1 − resonance has isoscalar characteristics and exhausts approximately 5%–15% of the isoscalar dipole energy-weighted sum rule, providing evidence for pronounced 𝛼 cluster structure in 10 Be. The Gamow coupled channel approach supports this interpretation and suggests the near-threshold effect might be playing an important role in this excitation energy domain. Here, the 𝛼 +𝛼 +𝑛 +𝑛 four-body calculation reproduces the observed enhanced dipole strength, implying that the four-body cluster structure is essential to describe the 1 − states in 10 Be.
Cluster models↗
An Exact Form of Lilley's Equation with a Velocity Quadrupole/Temperature Dipole Source Term
There have been several attempts to introduce approximations into the exact form of Lilley's equation in order to express the source term as the sum of a quadrupole whose strength is quadratic in the fluctuating velocities and a dipole whose strength is proportional to the temperature fluctuations. The purpose of this note is to show that it is possible to choose the dependent (i.e., the pressure) variable so that this type of result can be derived directly from the Euler equations without introducing any additional approximations.
Goldstein, Marvin E.↗
Gluon-mediated inclusive Deep Inelastic Scattering from Regge to Bjorken kinematics
We revisit high energy factorization for gluon mediated inclusive Deep Inelastic Scattering (DIS) for which we propose a new semi-classical approach that accounts systematically for the longitudinal extent of the target in contrast with the shockwave limit. In this framework, based on a partial twist expansion, we derive a factorization formula that involves a new gauge invariant unintegrated gluon distribution which depends explicitly on the Feynman x variable. It is shown that both the Regge and Bjorken limits are recovered in this approach. We reproduce in particular the full one loop inclusive DIS cross-section in the leading twist approximation and the all-twist dipole factorization formula in the strict x = 0 limit. Although quantum evolution is not discussed explicitly in this work, we argue that the proper treatment of the x dependence of the gluon distribution encompasses the kinematic constraint that must be imposed on the phase-space of gluon fluctuations in the target to ensure stability of small-x evolution.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
PYSEQM
PYSEQM is a package for performing semi-empirical quantum mechanical (SEQM) simulations on molecular systems utilizing PyTorch. SEQM simulations determine molecular properties (energy, electron density, dipole moment, ect.) by solving an approximate Schrödinger equation for the motions of electrons in a molecule. The use of PyTorch provides three specific advantages. First, it allows the calculations to be offloaded to GPU accelerators, giving an order of magnitude increase in speed. Second, back propagation is used to get atomic forces (derivative of the total energy with respect to atomic position) at the same computational cost as the energy calculation itself. Finally, the use of PyTorch makes for a natural interface to modern machine learning methods, which can be used to adjust the semi-empirical parameters build into SEQM methods. Additionally, PYSEQM implements various other optimizations for performing quantum mechanics based molecular dynamics, including SP2 for rapid GPU based solution of the self-consistent field algorithm, and the extended Lagrangian method for rapid QM-MD.
Nebgen, Benjamin↗
Thermal conductivity and resonant multipole interactions.
Investigation of the influence of resonant multipole interactions on exchanges of rotational energy in molecular collisions, by means of a simple two-state impact-parameter approximation. It is found that dipole-quadrupole and quadrupole-quadrupole interactions can have a significant effect for molecules with low moments of inertia.
Nyeland, C.↗
Magnetospheric chorus - Occurrence patterns and normalized frequency
Over 400 hours of continuous broadband data obtained by the OGO 3 satellite are analyzed to provide a statistically accurate description of band-limited (magnetospheric) chorus. Certain aspects of the chorus frequency distribution are interpreted in terms of a gyroresonant electron feedback model of generation. An example of high chorus activity during an outbound pass through the noon magnetosphere is examined in detail, the spectral complexity of some chorus is illustrated, and the diurnal variation of chorus occurrence is investigated. The frequency and bandwidth distributions of chorus are analyzed. The results indicate that chorus occurrence depends strongly on local time and dipole latitude, the general region of maximum chorus occurrence approximates the previously reported zone of 'hard' electron precipitation, and the normalized chorus frequency is strongly dependent on dipole latitude. It is shown how a change in the curvature of the whistler-mode refractive-index surface affects focusing of radiation along magnetic field lines and how interference can occur between modes with slightly different ray velocities. It is concluded that most magnetospheric chorus consists of rising emissions which are probably generated by gyroresonant electrons slightly off the equator.
Burtis, W. J.↗
Theoretical studies of photoexcitation and ionization in H2O
Theoretical studies using Franck-Condon and static-exchange approximations are reported for the complete dipole excitation and ionization spectrum in H2O, where (1) large Cartesian Gaussian basis sets are used to represent the required discrete and continuum electronic eigenfunctions at the ground state equilibrium geometry, and (2) previously devised moment-theory techniques are employed in constructing the continuum oscillator-strength densities from the calculated spectra. Comparisons are made of the calculated excitation and ionization profiles with recent experimental photoabsorption studies and corresponding spectral assignments, electron impact-excitation cross sections, and dipole and synchrotron-radiation studies of partial-channel photoionization cross sections. The calculated partial-channel cross sections are found to be atomic-like, and dominated by 2p-kd components. It is suggested that the latter transition couples with the underlying 1b(1)-kb(1) channel, accounting for a prominent feature in recent synchrotron-radiation measurements.
Diercksen, G. H. F.↗
Use of Satellite-Derived Water Vapor Data to Investigate Northwestward Expansion of North Pacific Subtropical High During 1995 Summer: Westward Propagating Moisture Pattern
The spatial and temporal evolution of the moisture field over the subtropical northwest Pacific during the summer of 1995 is investigated using daily total precipitable water from combined SSM/I-TOVS data and pentad upper tropospheric humidity (UTH) data, in conjunction with NCEP reanalysis data. From analysis of the combined water vapor field, the westward movement of a dry airmass is observed along the 20-30 degrees N latitude zone from near the dateline to the south of Japan throughout the summer of 1995. Extended EOF analysis of total precipitable water reveals that the westward moving pattern takes place in conjunction with an expanding North Pacific subtropical high maintaining an oscillatory component exhibiting a period of some 15-25 days. A concomitant dipole-like oscillating anomalous circulation with approximately a 20-day period between the South China Sea and south of Japan appears to influence the westward expansion of the subtropical high. The analysis also suggests that the fluctuations of the North Pacific high are in response to a local Hadley-type circulation which is induced by westward-moving anomalous convection episodes along 10-20 degrees N.
Sohn, Byung-Ju↗
Competing Intermolecular and Molecule–Surface Interactions: Dipole–Dipole-Driven Patterns in Mixed Carborane Self-Assembled Monolayers
Carboranedithiol isomers adsorbing with opposite orientations of their dipoles on surfaces are self-assembled together to form mixed monolayers where both lateral dipole–dipole and lateral thiol–thiolate (S–H···S) interactions provide enhanced stability over single-component monolayers. Here, we demonstrate the first instance of the ability to map individual isomers in a mixed monolayer using the model system carboranedithiols on Au{111}. The addition of methyl groups to one isomer provides both an enhanced dipole moment and extra apparent height for differentiation via scanning tunneling microscopy (STM). Associated computational investigations rationalize favorable interactions of mixed pairs and the associated stability changes that arise from these interactions. Both STM images and Monte Carlo simulations yield similarly structured mixed monolayers, where approximately 10% of the molecules have reversed dipole moment orientations but no direct chemical attachment to the surface, leading to homogeneous monolayers with no apparent phase separation. Deprotonating the thiols by depositing the molecules under basic conditions eliminates the lateral S–H···S interactions while accentuating the dipole–dipole forces. The molecular system investigated is composed of isomeric molecules with opposite orientations of dipoles and identical surface packing, which enables the mapping of individual molecules within the mixed monolayers and enables analyses of the contributions of the relatively weak lateral interactions to the overall stability of the assemblies.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Solar magnetic fields - Extended.
Spacecraft observations of the interplanetary magnetic field have revealed that almost always each solar rotation can be divided into sectors, within each of which the field has a predominant polarity toward the sun or away from the sun. Comparisons of this interplanetary magnetic sector pattern with observations of the photospheric magnetic field have revealed a similar solar magnetic pattern. The boundaries between solar magnetic sectors are approximately in the north-south direction over a wide range of latitudes on both sides of the equator. This solar magnetic sector structure can be described as a rotating dipole whose magnetic axis makes an angle of approximately 90 deg with the axis of rotation. Possible similarities between this solar-sector magnetism and the models derived from observations of stellar magnetism are discussed.
Wilcox, J. M.↗
Modified Coulomb-Dipole Theory for 2e Photoionization
In the light of recent experiment on 2e photoionization of Li near threshold, we have considered a modification of the Coulomb-dipole theory, retaining the basic assumption that the threshold is dominated by asymmetric events in phase space [implies r(sub 1), k(sub 1)) greater than or equal to 2(r(sub 2), k(sub )]. In this region [in a collinear model, 2/r(sub 12) approached + 2/(r(sub 1)+r(sub 2)] the interaction reduces to V(rIsub 1) is greater than or equal to 2r(sub 2) is identically equal to [(-Z/r(sub 2)-(A-1)/r(sub 1)] + [(-2r(sub 2)/r(sub 1 exp 2)] is identically equal to V(sub c)+[V(sub d)]. For two electron emission Z = 2, thus both electrons see a Coulomb potential (V(sub c)) asymptotically, albeit each seeing a different charge. The residual potential (V(sub d)) is dipole in character. Writing the total psi = psi (sub c) + psi(sub d) = delta psi, and noting that. (T+V(sub c)-E)psy(sub c) = 0 and (T+V(sub c))psi(sub d) = 0 can be solved exactly, we find, substituting psi into the complete Schrod. Eq., that delta psi = -(H-E)(exp -1)(V(sub d) psi(sub 0)+V(sub c psi (sub 1). Using the fact that the absolute value of V(sub c) is much more than the absolute value of V(sub d) in almost all of configuration space, we can replace H by H(sub 0) in 9H-E)(exp -1) to obtain an improved approximation psi (improved) = psi(sub c) + psi(sub d) -(H(sub 0)-E)(exp -1) (V(sub c) psi (sub 0) + V(sub c) psi(sub 1). Here's the Green's function (H(sub 0)-E)(exp -1), can be exhibited explicitly, but the last term in psi (improved) is small, compared to the first two terms. Inserting them into the transition matrix element, which one handles in the usual way, we obtain in the limit E approaches 0, the threshold law: Q(E) alpha E + M(E)E(exp 5/4) + higher order (Eq. 1a). The modulation function, M(E), is a well-defined (but very non-trivial integral, but it is expected to be well approximated by a sinusoidal function containing a dipole phase term (M(E) = c sin[alpha log (E) + micron] (Eq. 1b). Experimental results show definite modulations, and are well fitted by Eqs (1).
Source record↗
All-Order Full-Coulomb Quantum Spectral Line-Shape Calculations
Understanding how atoms interact with hot dense matter is essential for astrophysical and laboratory plasmas. Interactions in high-density plasmas broaden spectral lines, providing a rare window into interactions that govern, for example, radiation transport in stars. However, up to now, spectral line-shape theories employed at least one of three common approximations: second-order Taylor treatment of broadening operator, dipole-only interactions between atom and plasma, and classical treatment of perturbing electrons. In this Letter, we remove all three approximations simultaneously for the first time and test the importance for two applications: neutral hydrogen and highly ionized magnesium and oxygen. Finally, we found 15%–50% change in the spectral line widths, which are sufficient to impact applications including white-dwarf mass determination, stellar-opacity research, and laboratory plasma diagnostics.
79 ASTRONOMY AND ASTROPHYSICS↗
Theoretical and observational analysis of spacecraft fields
In order to investigate the nondipolar contributions of spacecraft magnetic fields a simple magnetic field model is proposed. This model consists of randomly oriented dipoles in a given volume. Two sets of formulas are presented which give the rms-multipole field components, for isotropic orientations of the dipoles at given positions and for isotropic orientations of the dipoles distributed uniformly throughout a cube or sphere. The statistical results for an 8 cu m cube together with individual examples computed numerically show the following features: Beyond about 2 to 3 m distance from the center of the cube, the field is dominated by an equivalent dipole. The magnitude of the magnetic moment of the dipolar part is approximated by an expression for equal magnetic moments or generally by the Pythagorean sum of the dipole moments. The radial component is generally greater than either of the transverse components for the dipole portion as well as for the nondipolar field contributions.
Neubauer, F. M.↗