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Influence of substituents on the vectorial difference static dipole upon excitation in synthetic bacteriochlorins

Organic dye aggregates have been shown to exhibit exciton delocalization in natural and synthetic systems. Such dye aggregates show promise in the emerging area of quantum information science (QIS). We believe that the difference static dipole (Δd) is an essential dye parameter in the development of molecular QIS systems. However, a foundational understanding of the structural factors influencing Δd remains elusive. Bacteriochlorins play a vital role in photosynthesis due to their exceptional photophysical properties. Therefore, bacteriochlorins are particularly suitable dyes for the construction of aggregate systems for QIS. Synthetic bacteriochlorins further offer stability and tunability via chemical modifications. Here, the influence of substituents on the Δd of monomeric (non-aggregated) dyes was investigated via density functional theory (DFT) and time-dependent (TD-)DFT in a set of 5-methoxybacteriochlorins progressively substituted with ethynyl, phenyl, and phenylethynyl substituents at the 3,13- and 3,13,15-positions of the macrocycle. Symmetrically substituted 5-methoxybacteriochlorins were shown to have the largest Δd. The increase in Δd in the series of dyes was largely due to changes in orientation of the static dipole upon excitation rather than large changes in magnitude. In addition, the transition dipole (μ) and the angle between Δd and μ (ζ) were calculated. Three 5-methoxybacteriochlorins with high predicted Δd and μ were synthesized and characterized spectroscopically. The trend in Δd values empirically determined using the solvatochromic Stokes shift method was comparable with the DFT calculations.

36 MATERIALS SCIENCE↗

Applicability of semiclassical methods for modeling laser-enhanced fusion rates in a realistic setting

In the context of the potential laser-induced enhancement to the rates of DHe 3 and DT fusion, we discuss the frequently-used Wentzel-Kramers-Brillouin (WKB) method and the imaginary-time method (ITM). For static external electric fields, we find that these methods predict significant enhancement to the fusion cross section for electric-field strengths > 10 14 V/m, especially at low values (≈ keV) for the enter-of-mass (CoM) energy. When considering dynamic electric fields, this enhancement can be amplified by considering increased photon frequencies. However, we also pro- vide a review of the region of laser-parameter phase space where these semiclassical methods are applicable. Here, we conclude that this allowable region decreases for higher photon frequencies in con-junction with lower values for the electric-field strength, motivating the need for future experiments to test the predictions of these methods and their ranges of validity.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Effect of nuclear charge on laser-induced fusion enhancement in advanced fusion fuels

Here, based on the preliminary work done in a previous paper [Phys. Rev. C 105, 054001 (2022)], we investigate the effects of laser-induced fusion rate enhancements of different fusion fuels. In the aforementioned work, which considered $_{1}^{2}$H-$_{1}^{3}$H (D-T) and DHe 3 fusion, it was observed that a larger product of charge numbers of the fusion reactants leads to an increased laser-induced enhancement to the fusion cross section for static external electric fields. We investigate whether this trend persists for DT, DHe 3 , and pB 11 fusion for dynamical electric fields, using the semiclassical approaches of the Wentzel-Kramers-Brillouin method and the imaginary-time method, as well as the Kramers- Henneberger method, and the Volkoff-state approximation. We find that the fusion cross section of pB 11 indeed exhibits the largest relative enhancement for all laser parameters considered and may even surpass the cross section of DT and DHe 3 fusion.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Polarizability of molecular hydrogen.

Perturbation theory summation method for calculating molecular hydrogen static dipole electric polarizability, using coupled Hartree- Fock approximation

Taylor, H. S.↗

Focusing of a relativistic electron flow.

Focusing of relativistic cylindrical electron beam in static axial electric and magnetic fields, using least action principle to derive trajectory differential equation

Hsieh, H. C.↗

Sketch of a unifying auroral theory

On the basis of field and particle observations, it is suggested that a bright auroral display is a part of a magnetosphere-ionosphere current system which is fed by a charge-separation process in the outer magnetosphere (or the solar wind). The upward magnetic-field-aligned current is flowing out of the display, carried mainly by down-flowing electrons from the hot-particle populations in the outer magnetosphere (the ambient cold electrons being depleted at high altitudes). As a result of the magnetic mirroring of these downflowing current carriers, a large potential drop is set up along the magnetic field, increasing both the number flux and the kinetic energy of the precipitating electrons. It is found that this simple basic model, when combined with wave-particle interactions, may be able to explain a highly diversified selection of auroral particle observations. It may thus be possible to explain both inverted-V events and auroral rays in terms of a static parallel electric field, and the electric field may be compatible with a strongly variable pitch-angle distribution of the precipitating electrons, including distributions peaked at 90 deg as well as 0 deg. This model may also provide a simple explanation of the simultaneous precipitation of electrons and collimated positive ions.

Lennartsson, W.↗

Role of magnetic fields in physics and astrophysics; Proceedings of the Conference, Copenhagen, Denmark, June 5-7, 1974

The papers deal with the role of magnetism in astrophysics and the properties of matter in the presence of unusually large magnetic fields. Topics include a quantum-mechanical treatment of high-energy charged particles radiating in a homogeneous magnetic field, the solution and properties of the Dirac equation for magnetic fields of any strength up to 10 to the 13th power gauss, experimental difficulties encountered and overcome in generating megagauss fields, the effect of strong radiation damping for an ultrarelativistic charge in an external electromagnetic field, magnetic susceptibilities of nuclei and elementary particles, and Compton scattering in strong external electromagnetic fields. Other papers examine static uniform electric and magnetic polarizabilities of the vacuum in arbitrarily strong magnetic fields, quantum-mechanical processes in neutron stars, basic ideas of mean-field magnetohydrodynamics, helical MHD turbulence, relations between cosmic and laboratory plasma physics, and insights into the nature of magnetism provided by relativity and cosmology. Individual items are announced in this issue.

Canuto, V.↗

A quasi-static model of global atmospheric electricity. I - The lower atmosphere

A quasi-steady model of global lower atmospheric electricity is presented. The model considers thunderstorms as dipole electric generators that can be randomly distributed in various regions and that are the only source of atmospheric electricity and includes the effects of orography and electrical coupling along geomagnetic field lines in the ionosphere and magnetosphere. The model is used to calculate the global distribution of electric potential and current for model conductivities and assumed spatial distributions of thunderstorms. Results indicate that large positive electric potentials are generated over thunderstorms and penetrate to ionospheric heights and into the conjugate hemisphere along magnetic field lines. The perturbation of the calculated electric potential and current distributions during solar flares and subsequent Forbush decreases is discussed, and future measurements of atmospheric electrical parameters and modifications of the model which would improve the agreement between calculations and measurements are suggested.

Hays, P. B.↗

A quasi-static model of global atmospheric electricity. II - Electrical coupling between the upper and lower atmosphere

The paper presents a model of global atmospheric electricity used to examine the effect of upper atmospheric generators on the global electrical circuit. The model represents thunderstorms as dipole current generators randomly distributed in areas of known thunderstorm frequency; the electrical conductivity in the model increases with altitude, and electrical effects are coupled with a passive magnetosphere along geomagnetic field lines. The large horizontal-scale potential differences at ionospheric heights map downward into the lower atmosphere where the perturbations in the ground electric field are superimposed on the diurnal variation. Finally, changes in the upper atmospheric conductivity due to solar flares, polar cap absorptions, and Forbush decreases are shown to alter the downward mapping of the high-latitude potential pattern and the global distribution of fields and currents.

Roble, R. G.↗

Gain-enhanced free-electron laser with an electromagnetic pump field

The feasibility of enhancing the gain for the free electron laser (FEL) with an electromagnetic (EM) pump field has been considered. The enhancement is provided by reacceleration of the electrons in the interaction region by means of a static, axial electric field. A FEL utilizing a low energy electron beam and a wiggler magnet with a periodicity on the order of 1 cm would produce far infared (FIR) radiation with wavelengths on the order of a few hundred microns. The use of the FIR radiation as the pump field in a two-stage FEL is envisioned to obtain visible radiation with a low energy electron beam. A summary is provided regarding the theory and equations of motion for the EM-pumped FEL. The derived relations are applied to the second stage of such a two-stage FEL. The obtained equations have been incorporated into a computer code which has been used to calculate laser gain and energy conversion efficiency.

Hiddleston, H. R.↗

Weak double layers in the auroral ionosphere

Previous work on the evolution of weak double layers in a hydrogen plasma was extended to include H(+) and O(+) with relative drift. The relative drift between hydrogen and oxygen ions due to a quasi-static parallel electric field gives rise to a strong linear fluid instability which dominates the ion-acoustic mode at the bottom of the auroral acceleration region. This ion-ion instability can modify ion distributions at lower altitudes and the subsequent nonlinear evolution of weak double layers at higher altitudes in the ion-acoustic regime. Ion hole formation can occur for smaller relative electron-ion drifts than seen in previous simulations, due to the hydrogen-oxygen two-stream instability. This results in local modification of the ion distributions in phase space, and a partial filling of the valley between the hydrogen and oxygen peaks, which would be expected at higher altitudes on auroral field lines. The observed velocity diffusion does not necessarily preclude ion hole and double layer formation in hydrogen in the ion-acoustic regime. These simulation results are consistent with the experimentally measured persistence of separate hydrogen and oxygen peaks, and the observation of weak double layers above an altitude of 3000 km on auroral field lines.

Hudson, M. K.↗

Kinetic and thermodynamic properties of a convecting plasma in a two-dimensional dipole field

Charged particle guiding center motion is considered in the magnetic field of a two-dimensional ('line') dipole on which is superimposed a small, static, perpendicular electric field. The parallel equation of motion is that of a simple harmonic oscillator for cos theta, the cosine of magnetic colatitude theta. Equations for the perpendicular electric and magnetic drifts are derived as well as their bounce-averaged forms. The latter are solved to yield a bounce-averaged guiding center trajectory, which is the same as that obtained from conversation of magnetic moment mu, longitudinal invariant J, and total (kinetic plus electrostatic) energy K. The algebraic simplicity of the trajectory equations is also manifest in the forms of the invariants. An interesting result is that guiding centers drift in such a way that they preserve the values of their equatorial pitch angles and (equivalently) mirror latitudes. The most general Maxwellian form of the equilibrium one-particle distribution function f is constructed from the invariants, and spatially varying density and pressure moments, parallel and perpendicular to the magnetic field, are identified. Much of the paper deals with the more restricted problem in which f is specified as a bi-Maxwellian over a straight line of finite length in the equatorial plane of the dipole and perpendicular to field lines. This might be thought of as specifying a cross-tail ion injection source; our formalism then describes the subsequent spatial development. The distribution away from the source is a scaled bi-Maxwellian but one that is cut off at large and small kinetic energies, which depend on position. Density and pressure components are reduced from the values they would have if the total content of individual flux tubes convected intact. The equatorial and meridional variations of density and pressure components are examined and compared systematically for the isotropic and highly anisotropic situations. There appears to be little qualitative difference due to anisotropy. An anisotropy measure is defined, and its spatial variation determined as a signature of possible MHD instability. Extreme values are found, larger than at the source, but the plasma beta in such regions is probably so low as to render the effect inconsequential energetically. Finally, the possible consequence of 'nonadia- batic' pressure profiles on electrostatic interchanges is considered, and a boundary delineating stabilizing and destabilizing regions determined.

Huang, T. S.↗

Simulations and Observations of Heating of Auroral Ion Beams

In the auroral zone, quasi-static parallel electric fields produce beams of ionospheric ions (e.g., H(+), He(+) and 0(+)), which flow outward into the magnetosphere, providing a significant source of ions for the ring current and plasma sheet. Because the velocities to which these beams are accelerated is dependent on the mass of the ions, differential flows between the various ion species can develop which are unstable to an ion-ion streaming instability. Particle simulations and observations from DE 1 are used to investigate the heating of the ion beams produced by this instability. It is shown that there is net transfer of energy from the light ions to the heavy ions, with the heavy ions reaching maximum velocities near the beam velocity of the light ions. Bulk heating of the heavy ions occurs when their relative density is low while high-energy tails are produced when their relative density is high. The heating is primarily parallel to the magnetic field if the difference in the heavy and light ion beam velocities is subsonic while both perpendicular and parallel heating can occur if it is supersonic. In the latter case, very strong heating of an intermediate ion's species such as He(+) can also occur. Comparison with observations shows features consistent with heating via the ion-ion instability including perpendicular heating in the supersonic regime and parallel heating in the subsonic regime and a change in the heating between these regimes as the ratio of the H(+) beam speed to the local sound speed is observed to decrease. This heating is, however, not always observed in association with enhanced wave emissions. This lack of waves is attributed to reabsorption of the waves as the ions become heated.

Winglee, R. M.↗

Static deflection control of flexible beams by piezo-electric actuators

This study deals with the utilization of piezo-electric actuators in controlling the static deformation of flexible beams. An optimum design procedure is presented to enable the selection of the optimal location, thickness and excitation voltage of the piezo-electric actuators in a way that would minimize the deflection of the beam to which these actuators are bonded. Numerical examples are presented to illustrate the application of the developed optimization procedure in minimizing the structural deformation of beams of different materials when subjected to different loading and end conditions using ceramic or polymeric piezo-electric actuators. The results obtained emphasize the importance of the devised rational procedure in designing beam-actuator systems with minimal elastic distortions.

Baz, A. M.↗

Electric Field Effects on an Injected Air Bubble at Detachment in a Low Gravity Environment

The objective of the study is to investigate the behavior of individual air bubbles injected through an orifice into an electrically insulating liquid under the influence of a static and uniform electric field. Bubble formation and detachment were visualized and recorded in microgravity using a high-speed video camera. Bubble volume, dimensions and contact angle at detachment were measured. In addition to the experimental studies, a simple model, predicting bubble characteristics at detachment was developed. The model, based on thermodynamic considerations, accounts for the level of gravity as well as the magnitude of the uniform electric field. Measured data and model predictions show good agreement, and indicate that the level of gravity and the electric field magnitude significantly affect bubble shape, volume and dimensions.

Iacona, Estelle↗