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At least 1,027 records · Page 57

Upward ion flow in ionospheric holes on Venus

The nature of ion flow within two ionospheric holes on the nightside of Venus was investigated using ion composition measurements made by the ion mass spectrometer on the Pioneer Venus Orbiter. A comparison of the altitude profiles of the observed ion densities with those expected under diffusive equilibrium conditions indicates that the major ions O(+), NO(+), and O2(+), as well as the minor ions H(+) and He(+) flow upward and away from Venus along the axes of the holes. This result agrees with a quantitative evaluation of the ion flow speeds appearing in expressions derived from the equations for conservation of mass and momentum of the ions and electrons. The analysis shows that all ion species flow upward in the holes because the upward force produced by the plasma pressure gradient exceeds all downward forces. However, the nature of the ion source required to maintain such flow is not known.

Hartle, R. E.↗

Chiral electronic excitations in the quasi-two-dimensional Rashba system BiTeI

The optical transitions between spin-polarized bands of the quasi-two-dimensional Rashba system BiTeI are investigated using polarization-resolved resonant Raman spectroscopy. We detect chiral excitations between states with opposite helicity and compare spectra to calculations within a three-band model. Using the resonant Raman excitation profile, we deduce the Rashba parameters and band gaps of the higher conduction bands near the Fermi level, and compare the parameters to values obtained by ab initio density functional theory.

36 MATERIALS SCIENCE↗

On the Formation of Phantom Electron Phase Space Density Peaks in Single Spacecraft Radiation Belt Data

This study examines the rapid losses and acceleration of trapped relativistic and ultrarelativistic electron populations in the Van Allen radiation belt during the September 7–9, 2017 geomagnetic storm. By analyzing the dynamics of the last closed drift shell (LCDS), and the electron flux and phase space density (PSD), we show that the electron dropouts are consistent with magnetopause shadowing and outward radial diffusion to the compressed LCDS. During the recovery phase, an in-bound pass of Van Allen Probe A shows an apparent local peak in PSD, which does not exist in reality. Here, a careful analysis of the multipoint measurements by the Van Allen Probes reveals instead how the apparent PSD peak arises from aliasing monotonic PSD profiles which are rapidly increasing due to acceleration from very fast inwards radial diffusion. In the absence of such multisatellite conjunctions during fast acceleration events, such peaks might otherwise be associated with local acceleration processes.

79 ASTRONOMY AND ASTROPHYSICS↗

Assessing the impact of alpha particles on thermal confinement in JET D-T plasmas through global GENE-Tango simulations

The capability of the global, electromagnetic gyrokinetic GENE code interfaced with the transport Tango solver is exploited to address the impact of fusion alpha particles (in their dual role of fast particles and heating source) on plasma profiles and performance at JET in the discharges with the highest quasi-stationary peak fusion power during the DTE2 experimental campaigns. Employing radially global nonlinear electromagnetic GENE-Tango simulations, we compare results with/without alpha particles and alpha heating. Our findings reveal that alpha particles have a negligible impact on turbulent transport, with GENE-Tango converging to similar plasma profiles regardless of their inclusion as a kinetic species in GENE. On the other hand, alpha heating is found to contribute to the peaking of the electron temperature profiles, leading to a 1 keV drop on the on-axis electron temperature when alpha heating is neglected in Tango. The minimal impact of alpha particles on turbulent transport in this JET discharge–despite this being the shot with the highest fusion output–is attributed to the low content of fusion alpha in this discharge. To assess the potential impact of alpha particles on turbulent transport in regimes with higher alpha particle density, as expected in ITER and fusion reactors, we artificially increased the alpha particle concentration to levels expected for ITER. By performing global nonlinear GENE standalone simulations, we found that increasing the alpha particle density beyond five times the nominal value lead to significant overall turbulence destabilization. These results demonstrate that an increased alpha particle concentration can significantly impact transport properties under simulated JET experimental conditions. However, these findings cannot be directly extrapolated to ITER due to the substantial differences in parameters such as plasma size, magnetic field, plasma current, and thermal pressure.

energetic particles↗

Simulations Supporting the Development of Northstar's Indirect Beam Parameters Monitoring System

NorthStar Medical Radioisotopes, LLC is planning to produce the important medical radioisotope molybdenum-99 (Mo-99), the parent of technetium-99m (Tc-99m), through photonuclear reactions in molybdenum-100 (Mo-100). In this approach, a target comprising multiple thin disks of enriched molybdenum metal is bombarded with a 40-MeV electron beam. Electrons impinged on the molybdenum target produce bremsstrahlung X-rays that cause the nuclear reaction. Because enriched Mo-100 is expensive, there is a desire to utilize as much beam power as possible to achieve maximum production yield and minimize the size of the target. This requirement leads to very high beam power density (and heat deposition in the target), which creates challenging requirements for the cooling of the target. The critical part of the target is the target window. It separates the high-pressure helium cooled target from the vacuum beamline and the subject of structural and thermal stress. The temperature of the target window is proportional to the energy density deposited by the beam, so it is critical to maintain the desired beam profile on the target window. The feasibility of indirectly monitoring the maximum energy density of the beam on the beam window through beam losses at the main collimator (Collimator) before the production target was verified. A model of the NorthStar beam transport line was constructed for this purpose using MAD-X and Tao/Bmad codes. Beam optics were computed for the standard operational scenario, followed by an investigation involving approximately 400 cases with parameter variations in the last tuning quadrupoles. This was done to assess the correlation between losses in the collimator and the peak energy density on the target. We developed a model to explore the potential application of Optical transition radiation (OTR) for controlling beam parameters in the NorthStar beam delivery system. This model was based on a generic formula derived from the fundamental solution of the inhomogeneous wave equation of the vector potential, and allowed us to consider various surfaces, even those with irregular or random features, using numerical integration. We applied the model to OTR generated by relativistic electrons impacting an Inconel® 718 beam window. We examined cases with different levels of the window’s surface roughness, ranging from 0.5 to 3.0 microns of root square mean (RMS) deviation. The results of the OTR simulations provided distributions of OTR photons that can be used to study the limitations of optical systems for controlling beam parameters.

43 PARTICLE ACCELERATORS↗

Phase stability and microstructure of neutron-irradiated substoichiometric yttrium dihydrides

The impact of the neutron-displacement damage on phase stability and microstructure of substoichiometric yttrium dihydrides (YH x , x <2) were investigated to assess their use as solid moderator in high-temperature nuclear reactors. YH x specimens were, thus, subjected to neutron irradiations in the range of 0.1–2 displacements per yttrium atom (dpa-Y) in the temperature range of 536–878°C at the Oak Ridge National Laboratory's (ORNL's) High Flux Isotope Reactor (HFIR). YH x specimens were initially prepared at stoichiometry (H/Y) ratios of 1.69 and 1.83. HFIR-irradiated specimens were characterized by variety of techniques to investigate H retention characteristics including dimensional analysis, optical microscopy, scanning electron microscopy electron back scatter diffraction (EBSD), transmission electron microscopy, thermal desorption spectroscopy (TDS), and high-energy x-ray diffraction (HE-XRD) characterizations. Overall, YH x exhibited notable structural and phase stability under short-term neutron-irradiation, except for the samples with significant silicon carbide (SiC) interaction at high doses and temperatures. Basic dimensional and mass measurements were misleading for accurate assessment of H retention, as confirmed by EBSD phase maps, XRD line profiles, and TDS signals. Thus, it was discussed that a robust H retention metric is needed to assess irradiated hydrides. Further, nanoscale cavities were observed as a result of the neutron irradiation in all samples. Although no clear impact of dose and irradiation temperature was determined, the initial H/Y ratio had an impact on the cavity number density where low H/Y specimens had high-resistance to cavity formation. The Y-vacancy cluster formation at the collision stage of the displacement cascade and their stabilization by H were considered to be the likely underlying mechanisms for the observed cavity microstructure.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Imaging viscous flow of the Dirac fluid in graphene

The electron–hole plasma in charge-neutral graphene is predicted to realize a quantum critical system in which electrical transport features a universal hydrodynamic description, even at room temperature. This quantum critical ‘Dirac fluid’ is expected to have a shear viscosity close to a minimum bound, with an interparticle scattering rate saturating1 at the Planckian time, the shortest possible timescale for particles to relax. Although electrical transport measurements at finite carrier density are consistent with hydrodynamic electron flow in graphene a clear demonstration of viscous flow at the charge-neutrality point remains elusive. In this work, we directly image viscous Dirac fluid flow in graphene at room temperature by measuring the associated stray magnetic field. Nanoscale magnetic imaging is performed using quantum spin magnetometers realized with nitrogen vacancy centres in diamond. Scanning single-spin and wide-field magnetometry reveal a parabolic Poiseuille profile for electron flow in a high-mobility graphene channel near the charge-neutrality point, establishing the viscous transport of the Dirac fluid. This measurement is in contrast to the conventional uniform flow profile imaged in a metallic conductor and also in a low-mobility graphene channel. Furthermore, via combined imaging and transport measurements, we obtain viscosity and scattering rates, and observe that these quantities are comparable to the universal values expected at quantum criticality. This finding establishes a nearly ideal electron fluid in charge-neutral, high-mobility graphene at room temperature4. Our results will enable the study of hydrodynamic transport in quantum critical fluids relevant to strongly correlated electrons in high-temperature superconductors9. This work also highlights the capability of quantum spin magnetometers to probe correlated electronic phenomena at the nanoscale.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Ion velocity effect governs damage annealing process in defective KTaO 3

Effects of electronic to nuclear energy losses (S e /S n ) ratio on damage evolution in defective KTaO 3 have been investigated by irradiating pre-damaged single crystal KTaO 3 with intermediate energy O ions (6 MeV, 8 MeV and 12 MeV) at 300 K. By exploring these processes in pre-damaged KTaO 3 containing a fractional disorder level of 0.35, the results demonstrate the occurrence of a precursory stage of damage production before the onset of damage annealing process in defective KTaO 3 that decreases with O ion energy. The observed ionization-induced annealing process by ion channeling analysis has been further mirrored by high resolution transmission electron microscopy analysis. In addition, the reduction of disorder level is accompanied by the broadening of the disorder profiles to greater depth with increasing ion fluence, and enhanced migration is observed with decreasing O ion energy. Since S e (~3.0 keV nm –1 ) is nearly constant for all 3 ion energies across the pre-damaged depth, the difference in behavior is due to the so-called 'velocity effect': the lower ion velocity below the Bragg peak yields a confined spread of the electron cascade and hence an increased energy deposition density. Here, the inelastic thermal spike calculation has further confirmed the existence of a velocity effect, not previously reported in KTaO 3 or very scarcely reported in other materials for which the existence of ionization-induced annealing has been reported. In other words, understanding of ionization-induced annealing has been advanced by pointing out that ion velocity effect governs the healing of pre-existing defects, which may have significant implication for the creation of new functionalities in KTaO 3 through atomic-level control of microstructural modifications, but may not be limited to KTaO 3 .

74 ATOMIC AND MOLECULAR PHYSICS↗

Analysing the effects of heating and gas puffing in Proto-MPEX helicon and auxiliary heated plasmas

The Material Plasma Exposure Experiment (MPEX) is being constructed at Oak Ridge National Laboratory to investigate critical fusion reactor issues, such as plasma–material interactions (PMIs) under reactor-relevant conditions and time scales. The linear device Proto-MPEX was used as a test bed to address anticipated research and development issues associated with heating scenarios and establish the physics basis for MPEX. The SOLPS-ITER code suite has been applied to understand plasma and neutral transport in Proto-MPEX and to increase confidence in predictive simulations for MPEX. Coupling between COMSOL and SOLPS is performed to implement a 2D electron heating profile of the helicon source. The simulations show reasonable agreement with the experimental data for plasma with helicon and auxiliary electron cyclotron heating (ECH). Both Bohm and constant diffusion (D$_\perp$: 0.5 m 2 s –1 and $\chi_\perp$: 1 m 2 s –1 ) simulations show similar levels of agreement with respect to the sparse experimental data available, assuming a few per cent impurity concentration. ECH significantly increases the target electron temperature, however, the target electron density is reduced compared to helicon-only heated plasmas due to an increase in flow velocity and radial losses. The simulations show that further increasing the ECH power results in an increase in the target electron density due to increased recycling flux and ionization. The results indicate that ECH significantly enhances the target heat flux, with ECH power of 50 kW increasing the target heat flux from 0.4 to 17 MW m –2 . It is found that a small amount of gas puffing (GP) near the target plate can further increase the target heat fluxes at the higher ECH power cases, but the target heat flux is reduced at higher GP conditions due to a significant reduction in electron temperature via radiation. ECH and GP scenarios can generate a higher target flux, facilitating improved PMI studies with more reactor-relevant plasma conditions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Electrical conductivity and velocity of highly ionized plasma flows - Theory and experiment.

Use of an immersible, three-coil, magnetic-induction probe, previously tested in a low-density supersonic argon jet, to measure electrical conductivity and velocity profiles of a highly ionized high-density nitrogen jet in the continuum flow regime where effects due to probe bow shocks and boundary layers might not be negligible. Measured centerline values of electrical conductivity and velocity were compared with predictions based on a theoretical analysis previously developed to study the gas as it expanded adiabatically and inviscidly from an equilibrium sonic state to the nozzle exit. The resulting numerical exit plane values for electron density and electron temperature were then substituted into the Spitzer-Haerm conductivity formula to compute a theoretical conductivity which agreed within 40% of the measured conductivity, while the calculated and experimental velocity values differed by as much as 50%. The lack of agreement was attributed to the possible use of invalid assumptions and boundary conditions in the computer analysis or to the unknown effects of shocks on the probe data.

Vendell, E. W.↗

Gamma-ray Burst Afterglows as Probes of Environment and Blastwave Physics: Absorption by Host Galaxy Gas and Dust, Circumburst Media and the Distribution of P

We use a new approach to obtain limits on the absorbing columns towards a sample of 10 Gamma-ray Bursts observed by BeppoSAX from simultaneous fits to X-ray, optical and IR data, in counts space and including the effects of metallicity. For half the afterglows the best-fitting model to the SED includes SMC-like extinction (as opposed to LMC or MW) and in one LMC-like extinction, and in no cases is there a preference for MW-like extinction. Gas-to-dust ratios generally do not match those of the 3 standard and most well-known extinction models of SMC, LMC and MW, but tend to be higher. We compare the results from this method to those of previous works using other methods. We constrain the jet models for a subsample of the bursts by constraining the cooling break position and power law spectral slopes, allowing the injected electron energy index to be measured. We derive secure values of p from our spectral fits and comparison with the temporal optical and X-ray slopes for 4 afterglows. The mean of these single value, suggesting that either external factors such as circumburst medium play a strong role or that the microphysics is not identical for each GRB. For GRB 971214 we find that the circumburst medium has a wind-like density profile and the cooling frequency appears to be moving to higher frequencies.

Starling, R. L. C.↗

Carbon Nanotubes/Nanofibers by Plasma Enhanced Chemical Vapour Deposition

Plasma enhanced chemical vapour deposition (PECVD) has been recently used for the production of vertically aligned carbon nanotubedfibers (CN) directly on substrates. These structures are potentially important technologically as electron field emitters (e.g. microguns, microwave amplifiers, displays), nanoelectrodes for sensors, filter media, superhydrophobic surfaces and thermal interface materials for microelectronics. A parametric study on the growth of CN grown by glow discharge dc-PECVD is presented. In this technique, a substrate containing thin film Ni catalyst is exposed to C2H2 and NH3 gases at 700 C. Without plasma, this process is essentially thermal CVD which produces curly spaghetti-like CN as seen in Fig. 1 (a). With the plasma generated by biasing the substrate at -6OOV, we observed that the CN align vertically during growth as shown in Fig. l(b), and that the magnitude of the applied substrate bias affects the degree of alignment. The thickness of the thin film Ni catalyst was found to determine the average diameter and inversely the length of the CN. The yield and density of the CN were controlled by the use of different diffusion barrier materials under the Ni catalyst. Patterned CN growth [Fig. l(c)], with la variation in CN diameter of 4.1% and 6.3% respectively, is achieved by lithographically defining the Ni thin film prior to growth. The shape of the structures could be varied from very straight nanotube-like to conical tip-like nanofibers by increasing the ratio of C2H2 in the gas flow. Due to the plasma decomposition of C2H2, amorphous carbon (a-C) is an undesirable byproduct which could coat the substrate during CN growth. Using a combination of depth profiled Auger electron spectroscopy to study the substrate and in-situ mass spectroscopy to examine gas phase neutrals and ions, the optimal conditions for a-C free growth of CN is determined.

Teo, K. B. K.↗

Broadening of the Divertor Heat Flux Profile in High Confinement Tokamak Fusion Plasmas with Edge Pedestals Limited by Turbulence in DIII-D

Multimachine empirical scaling predicts an extremely narrow heat exhaust layer in future high magnetic field tokamaks, producing high power densities that require mitigation. Here, in the experiments presented, the width of this exhaust layer is nearly doubled using actuators to increase turbulent transport in the plasma edge. This is achieved in low collisionality, high confinement edge pedestals with their gradients limited by turbulent transport instead of large-scale, coherent instabilities. The exhaust heat flux profile width and divertor leg diffusive spreading both double as a high frequency band of turbulent fluctuations propagating in the electron diamagnetic direction doubles in amplitude. The results are quantitatively reproduced in electromagnetic XGC particle-in-cell simulations which show the heat flux carried by electrons emerges to broaden the heat flux profile, directly supported by Langmuir probe measurements.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Composition of interstellar clouds in the disk and halo. 2: Gamma(sup 2) Velorum

High-resolution observations of gamma(sup 2) Vel with the Goddard High-Resolution Spectrograph (GHRS) echelle on the Hubble Space Telescope reveal the presence of seven narrow absorption components, with LSR velocities between -23 and +9 km s(exp -1). Three of these show column density ratios N(S(++))/N(S(+)) and N(P(++))/N(P+)) of about 1 or more, and can be identified as H II regions, while the other four are H I regions, consistent with the O I profile and with the overall H(sup 0) column density of 5.9 x 10(exp 19) cm(exp -2), given the usual assumptions that S is undepleted while O has a depletion D(O) = -0.3 dex. The depletions of Fe, Si, and Mn, which could be measure accurately for two of the four H I regions (components 6 and 7), differ somewhat from the values of D(sub ws) found for slowly moving warm clouds in HD 93521; in particular, for the component at 4.0 km s(exp -1) (No. 6), abosolute of D exceeds absolute of D(sub ws) by 0.1-0.4 dex, while for that at 9.3 km s(exp -1) (No. 7), absolute of D equals absolute of D(sub ws) on the average. The observed ratio of Fe + Mg atoms to Si atoms in the grains of component 6 is 2.04 +/-0.10, consistent with an olivine grain composition; the Fe/Mg ratio is 1.5 +/- 0.2. The electron density in component 6, determined from the C II(sup *) feature, is 0.075 +/- 0.013 cm (exp -3), about two-thirds of that found for clouds of this velocity in HD 93521. In the two conspicuous H II regions, components 3 and 4, n(sub e), determined from the Si II(sup *) feature, is about 1 cm(exp -3). From the column density of S(+) + S(++) in these two components, the total H II path length is about 40 pc. With the radius of a wind-blown bubble around gamma(sup 2) Vel set equal to 60 pc, the effective Stromgren radius is about 100 pc, requiring that T approx. equal to 50,000 K for the Wolf-Rayet component of the gamma(sup 2) Vel binary. Since zeta Pup is a comparable source of ionizing radiation, this temperature is an upper limit. The profiles of the strongest H2 absorption features, from Copernicus archives, indicate that the absorbing molecules have a mean velocity identical with that of the strongest H II component (No. 4). We have no explanation for the possible presence of these H2 molecules in a region of ionized H. Alternatively, the H2 profiles can be explained by molecules in the two adjacent (in velocity) H I regions, components 2 and 5, provided their H I gas has densities and temperatures typical of normal cold clouds. The GHRS data show absorption by highly ionized atoms Si(3+) and C(3+), N(4+) in broad features, in addition to the narrow-line absorption by Si(3+) and C(3+) observed in the dominant H II components, Nos. 3 and 4. The broad C(3+) and N(4+) features have widths corresponding to T in the range (4-8) x 10(exp 5) K, consistent with the broad O(5+) line shown in Copernicus data. Despite some observational uncertainties, the ratios of column densities in the broad C(3+), N(4+), and O(5+) features agree to +/- 0.1 dex with theoretical values for warm gas, heating and evaporating by thermal conduction from an adjacent hot region. Outward evaporation from an isolated cloud in a hot ambient gas cannot be distinguished, on the basis of these data, from inward evaporation of a warm shell, compressed by an expanding, hot stellar-wind bubble. For several halo stars, the C IV/O VI ratio has a quite different average value, perhaps consistent with cooling of infalling hot gas instead of conductive heating and evaporation.

Fitzpatrick, Edward L.↗

Longitudinal Differences of Ionospheric Vertical Density Distribution and Equatorial Electrodynamics

Accurate estimation of global vertical distribution of ionospheric and plasmaspheric density as a function of local time, season, and magnetic activity is required to improve the operation of space-based navigation and communication systems. The vertical density distribution, especially at low and equatorial latitudes, is governed by the equatorial electrodynamics that produces a vertical driving force. The vertical structure of the equatorial density distribution can be observed by using tomographic reconstruction techniques on ground-based global positioning system (GPS) total electron content (TEC). Similarly, the vertical drift, which is one of the driving mechanisms that govern equatorial electrodynamics and strongly affect the structure and dynamics of the ionosphere in the low/midlatitude region, can be estimated using ground magnetometer observations. We present tomographically reconstructed density distribution and the corresponding vertical drifts at two different longitudes: the East African and west South American sectors. Chains of GPS stations in the east African and west South American longitudinal sectors, covering the equatorial anomaly region of meridian approx. 37 deg and 290 deg E, respectively, are used to reconstruct the vertical density distribution. Similarly, magnetometer sites of African Meridian B-field Education and Research (AMBER) and INTERMAGNET for the east African sector and South American Meridional B-field Array (SAMBA) and Low Latitude Ionospheric Sensor Network (LISN) are used to estimate the vertical drift velocity at two distinct longitudes. The comparison between the reconstructed and Jicamarca Incoherent Scatter Radar (ISR) measured density profiles shows excellent agreement, demonstrating the usefulness of tomographic reconstruction technique in providing the vertical density distribution at different longitudes. Similarly, the comparison between magnetometer estimated vertical drift and other independent drift observation, such as from VEFI onboard Communication/Navigation Outage Forecasting System (C/NOFS) satellite and JULIA radar, is equally promising. The observations at different longitudes suggest that the vertical drift velocities and the vertical density distribution have significant longitudinal differences; especially the equatorial anomaly peaks expand to higher latitudes more in American sector than the African sector, indicating that the vertical drift in the American sector is stronger than the African sector.

total electron content↗

Gamma-ray and millimeter-wave emissions from the 1991 June X-class solar flares

We have studied the spectacular 1991 June X-class flares using gamma-ray data from the Charged Particle Detectors (CPDs) of the Burst and Transient Source Experiment (BATSE) on the Compton Gamma Ray Observatory (CGRO) and 80 GHz millimeter data from Nobeyama, Japan. The CPDs were the only CGRO instrument that did not saturate during the extremely intense 1991 June 4 flare. We have shown that for this flare the CPDs respond to MeV photons, most of which are due to bremsstrahlung produced by relativistic electrons at the Sun. We have further shown that the gamma-ray and millimeter observations agree numerically if the 80 GHz radiation is gyrosynchrotron radiation produced by trapped electrons and the gamma rays are thick-target bremsstrahlung due to electrons precipitating out of the trap. The requirement that the trapping time obtained from the numerical comparison be consistent with the observed time profiles implies a magnetic field between about 200 and 300 G and an electron spectral index between about 3 to 5. By comparing the CPD observations with both the 80 GHz data and nuclear line data from the Energetic Gamma Ray Experiment Telescope (EGRET) and the Oriented Scintillation Spectroscopy Experiment (OSSE) on CGRO for the flares of June 4, 6, 9, and 11, we found that the ratio of the CPD counts to both the millimeter flux densities and the nuclear line fluences decreases with decreasing flare heliocentric angle. All of these flares were produced in the same active region. We interpreted this result in terms of a loop model in which the gyrosynchrotron emission is produced in the coronal portion of the loop where the electrons are kept isotropic by pitch angle scattering due to plasma turbulence, while the bremsstrahlung is produced by precipitating electrons that interact anisotropically. We found that the trapping time in the coronal portion is time dependent, reaching a minimum of about 10 s at the peak of the CPD count rate. We suggested the damping of the turbulence as a possible reason for the variation of the trapping time. turbulence as a possible reason for the variation of the trapping time.

Ramaty, Reuven↗

Computing molecular excited states on a D-Wave quantum annealer

Abstract The possibility of using quantum computers for electronic structure calculations has opened up a promising avenue for computational chemistry. Towards this direction, numerous algorithmic advances have been made in the last five years. The potential of quantum annealers, which are the prototypes of adiabatic quantum computers, is yet to be fully explored. In this work, we demonstrate the use of a D-Wave quantum annealer for the calculation of excited electronic states of molecular systems. These simulations play an important role in a number of areas, such as photovoltaics, semiconductor technology and nanoscience. The excited states are treated using two methods, time-dependent Hartree–Fock (TDHF) and time-dependent density-functional theory (TDDFT), both within a commonly used Tamm–Dancoff approximation (TDA). The resulting TDA eigenvalue equations are solved on a D-Wave quantum annealer using the Quantum Annealer Eigensolver (QAE), developed previously. The method is shown to reproduce a typical basis set convergence on the example $$\hbox {H}_2$$ H 2 molecule and is also applied to several other molecular species. Characteristic properties such as transition dipole moments and oscillator strengths are computed as well. Three potential energy profiles for excited states are computed for $$\hbox {NH}_3$$ NH 3 as a function of the molecular geometry. Similar to previous studies, the accuracy of the method is dependent on the accuracy of the intermediate meta-heuristic software called qbsolv.

74 ATOMIC AND MOLECULAR PHYSICS↗