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Criteria of interplanetary parameters causing intense magnetic storms (Dst less than -100nT)

Ten intense storms occurred during the 500 days of August 16, 1978 to December 28, 1979. From the analysis of ISEE-3 field and plasma data, it is found that the interplanetary cause of these storms are long-duration, large and negative IMF B sub Z events, associated with interplanetary duskward-electric fields greater than 5 mV/m. Because a one-to-one relationship was found between these interplanetary events and intense storms, it is suggested that these criteria can, in the future, be used as predictors of intense storms by an interplanetary monitor such as ISEE-3. These B sub Z events are found to occur in association with large amplitudes of the IMF magnitude within two days after the onset of either high-speed solar wind streams or of solar wind density enhancement events, giving important clues to their interplanetary origin. Some obvious possibilities will be discussed. The close proximity of B sub Z events and magnetic storms to the onset of high speed streams or density enhancement events is in sharp contrast to interplanetary Alfven waves and HILDCAA events previously reported, and thus the two interplanetary features corresponding geomagnetic responses can be thought of as being complementary in nature. An examination of opposite polarity B sub Z events with the same criteria show that their occurrence is similar both in number as well as in their relationship to interplanetary disturbances, and that they lead to low levels of geomagnetic activity.

Gonzalez, Walter D.↗

PC 1158 + 4635 - An optically selected quasar with a redshift of 4.73

Photometric and spectroscopic observations of PC 1158 + 4635, a quasar with a redshift of 4.73, are presented. This object was discovered by the detection of its Ly-alpha emission line in a low-resolution CCD grism survey. The apparent magnitude of the quasar is r = 20.2; its absolute magnitude is similar to that of 3C 273 (for q0 = 0.5). The spectrum of PC 1158 + 4635 reveals prominent emission lines of Ly-alpha and C IV and a sharp, approximately one magnitude drop in the continuum level across the Ly-alpha emission line (features seen in most greater than 4 quasars). The redshift-continuum depression relation for quasars requires a dramatic change in the 'Lymann alpha clouds' (either in number or intrinsic properties) at a redshift of about 3.5 or else the presence of a new source that is responsible for the majority of the absorption at redshifts obove four.

Schneider, Donald P.↗

Gas Density Discontinuities in Merging Clusters

In a number of galaxy clusters, Chandra has discovered a new phenomenon, the sharp gas density edges. Depending on the sign of the temperature jump across the edge, these features may either be bow shocks or cold fronts. While the merger origin of the bow shocks is unambiguous, what causes cold fronts is not entirely clear, as they are observed both in mergers and in relaxed clusters. The purpose of the study of A3376, an interesting cluster with density edges, is to understand the origin of cold fronts and to look for possible shocks. This cluster also has a radio halo, and comparison of an X-ray temperature map and radio image may shed light on the nature of the cluster radio halos, which is our secondary goal. The XMM data for A3376 have been obtained, processed and cleaned. Most of the preliminary analysis, including deriving a temperature map, is complete. We also have Chandra data for this cluster, and intend to compare and combine the two datasets. We are well underway toward determining the dynamical state of A3376 and the nature of its gas density discontinuities.

Mushotzky, Richard↗

Gas Density Discontinuities in Merging Clusters

Chandra has discovered a new phenomenon in galaxy clusters, the sharp gas density edges. Depending on the sign of the temperature jump across the edge, these features may either be bow shocks or cold fronts. While bow shocks obviously are driven by merging sub-clusters, what causes cold fronts is not entirely clear, as they are observed both in mergers and in relaxed clusters. The purpose of the XMM study of A3376, an interesting cluster with density edges, is to understand the origin of cold fronts and to look for possible shocks. The XMM data for A3376 have been mostly analyzed (the X-ray edge turned out to be a cold front). Preliminary results have been shown at a conference and a paper is in preparation. We also have Chandra data for this cluster, and are comparing and combining the two datasets. In the course of analyzing the X-ray data for this cluster as well as several others, it has become apparent that we need the help of hydrodynamic simulations to study the precise mechanism by which cold fronts are formed, the main goal of the present project. A postdoc (Yago Ascasibar) is currently running SPH simulations of an idealized sub- cluster merger. These advanced simulations are nearing completion and two papers with their results are in preparation.

Mushotzky, Richard↗

Ultrafast Charge Transfer between Light Absorber and Co 3 O 4 Water Oxidation Catalyst across Molecular Wires Embedded in Silica Membrane

Here, the mechanism of visible light-induced hole transfer from a molecular light absorber, in the form of a free-base porphyrin, coupled to a Co 3 O 4 nanoparticle catalyst for water oxidation by a molecular wire (p-oligo(phenylenevinylene) featuring three aryl units) is investigated by transient absorption spectroscopy. The wires are covalently anchored on the Co 3 O 4 surface and embedded in a dense, yet ultrathin (2 nm), silica layer that separates light absorber and catalyst. The porphyrin is electrostatically adsorbed on the silica surface, and aqueous colloidal solutions of the core–shell particles are used for transient optical measurements. Pulsed optical excitation of the porphyrin results in rapid injection of the photogenerated hole onto the molecular wire and concurrent formation of reduced light absorber in less than 1 picosecond (ps). Ultrafast charge separation was monitored by transient absorption of the wire radical cation, which is given by bands in the 500 to 600 nm region and at 1130 nm, while formation of reduced porphyrin was characterized by absorption at 700 nm. Forward transfer of the hole to Co 3 O 4 catalyst proceeds in 255 ± 23 ps. Ultrafast transfer of positive charge from the molecular assembly to a metal oxide nanoparticle catalyst for water oxidation is unprecedented. Holes on Co 3 O 4 recombined with electrons of the reduced sensitizer with biphasic kinetics on a much longer time scale of ten to several hundred nanoseconds. Finally, the unusually efficient hole transfer coupling of a molecular light absorber with an Earth-abundant metal oxide catalyst by silica-embedded p-oligo(phenylenevinylene) offers an approach for integrated artificial photosystems featuring product separation on the nanoscale.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

High-resolution time-resolved experiments on mixing and entrainment of buoyant jets in stratified environments

Fluid jets interacting with a stratified layer play an important role in the safety of several reactor designs. In the containment of nuclear power plants, fluid jets dominate the transport and mixing of gaseous species and consequent hydrogen distribution in case of a severe accident. The mixing phenomena in the containment are driven by buoyant high-momentum injections (jets) and low momentum injection plumes. Mixing near the postulated break is initially dominated by high flow velocities. Plumes with moderate flow velocities are instead relevant in the break compartment during the long-term pressurization phase, or in any of the apertures between two connected compartments if the mass flows are sufficiently high and the density differences between efflux and ambient are sufficiently low. Phenomena of interest include free plumes (as produced by the efflux from the break compartment in a larger room or directly from a break flow), wall plumes (such those produced by low mass flows through inter-compartment apertures), and propagating stratification fronts in the ambient (for any stably stratified conditions). These phenomena have been highly ranked about nuclear reactor design, especially regarding of safety protocols. During a Pressurized Thermal Shock (PTS) scenario, the interaction between the cold ECCS injection plume and the stratified fluid present in the cold (or hot) leg is important in order to determine the temperature at the time-dependent temperature at the inlet of the reactor pressure vessel (RPV) and the potential to cause a thermal shock on the RPV wall. In sodium-cooled fast reactors (SFRs), core channels are typically hydro-dynamically isolated so that there exists a considerable temperature variation at the exit of adjacent fuel assemblies. All the above phenomena are characterized by the interaction of buoyant jets with the stratified flow. In stratified layers baroclinic forces create significant redistribution of turbulent kinetic energy and scales, which leads to anisotropy. This important physical phenomenon is highly three dimensional and is challenging to capture even with high-fidelity CFD simulations, due in part to lack of sufficiently resolved validation data. Furthermore, the experimental data available in the open literature do not feature the level of fidelity needed for an extensive validation of turbulence models in lower order CFD. To shed new lights into the crucial phenomena object of the present research project, it was proposed to conduct coordinated experiments and simulations at the University of Michigan and the George Washington University. The project has resulted in an experimental database of high-resolution time-resolved measurements of jets in uniform and stratified environments. The novel experimental data will be used to validate computational fluid dynamic (CFD) codes, including both Large Eddy Simulations (LES) and unsteady Reynolds-averaged Navier-Stokes equations (URANS) methodologies. In the Experimental and Multiphase flow (ECMF) laboratory at Univerisity of Michigan, we built two experimental facilities to investigate also the effect of scaling. The first facility, DESTROJER (DEnsity Stratified Turbulent ROund free Jet ExpeRiment), featuring a contoured jet nozzle with a diameter of D=12.7mm and a 1m×1m×1m cubic tank, which is made of acrylic glass for optical access. The ratio between the tank width and the nozzle diameter is equal to 78, which ensures that there is no direct interaction between the jet and the side walls. A second, modular experimental facility, features three different tank sizes of size 10×10×30, 20×20×30, 30×30×30 cm3 respectively (all tanks have the same height of 30 cm), and a jet diameter of 2mm. For the modular facility, tank-to-nozzle ratio of 50, 100, and 150 are obtained respectively. Experiments with different-density jet impactions and sharp interface with a density difference of 3.16% In the Laboratory at George Washington University, complementary experiments have been carried out at a facility featuring the same dimensions as DESTROYER. Experiments with different jet diameters have been carried out as well. High-resolution time-resolved measurements have been performed at all facilities using high-speed particle image velocimetry (PIV) and planar laser-induced fluorescence (PLIF). In this way, simultaneous measurements of velocity and density fields have been carried out. At the University of Michigan, wire-mesh sensors have been designed and built to gather high-resolution, time-dependent data of the stratified front in the tank. These measurements are important to provide accurate initial conditions for the CFD simulations. An important outcome of the project has been the development of novel techniques to achieve refractive index matching (RIM) of acqueous solutions with high density differences. RIM is crucial if optical techniques such as PIV are used to measure velocity fields. Previous to this project, experiments up to 3% density difference had been reported in the literature. With the methodology developed in this project, we have been able to push the envelop to density differences up to 9%. The experiments have been used to validate Reynolds Averaged Navier-Stokes (RANS) turbulence models and Large Eddy Simulations (LES) models. Both NEK5000 and the commercial CFD code STAR-CCM+ have been used. The experimental data will be made available to the community through the NE-KAMS databasehave been successfully conducted in the scaled facility.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

An integrated approach to understanding RF vacuum arcs

Although used in the design and costing of large projects such as linear colliders and fusion tokamaks, the theory of vacuum arcs and gradient limits is not well understood. Almost 120 years after the isolation of vacuum arcs, the exact mechanisms of the arcs and the damage they produce are still being debated. We describe our simple and general model of the vacuum arc that can incorporate all active mechanisms and aims to explain all relevant data. Our four stage model, is based on experiments done at 805 MHz with a variety of cavity geometries, magnetic fields, and experimental techniques as well as data from Atom Probe Tomography and failure analysis of microelectronics. The model considers the trigger, plasma formation, plasma evolution and surface damage phases of the RF arc. This paper also examines how known mechanisms can explain the observed sharp field dependence, fast breakdown times and observed surface damage. We update the model and discuss new features while also pointing out where new data would be useful in extending the model to a wider range of frequencies.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Double photoionization of atomic oxygen: Feshbach resonances in the two-electron continuum

In this work, we describe a joint experimental and theoretical investigation on oxygen double photoionization—the emission of two electrons from atomic oxygen following single photon absorption. High-resolution experimental measurements were performed at the Advanced Light Source, revealing sharp resonance structure superimposed on the more familiar Wannier-like, nearly-linear background. These resonance features are attributed to ionization-plus-excitation Feshbach resonances embedded in the double ionization continuum, doubly-excited states that lie above the double-ionization threshold. Such features are absent in the double photoionization cross section of He, or other quasi-two-electron systems, for which the doubly-ionized atomic core remains inert. For a corresponding theoretical analysis, the R-matrix with pseudostates (RMPS) method was invoked by calculating final-state, two-electron resonances-plus-continua wavefunctions and corresponding single-photon absorption cross sections. Overall agreement is found in the direct, background double photoionization cross section. However, the RMPS method, using a small basis due to practical computational limitations, was unable to reproduce quantitatively the smooth background or the sharper resonance features observed in the measurements, showing instead large-scale oscillations about the experimental background, and characteristic pseudoresonance jitter, associated with an insufficient convergence of the pseudostate representation to the true two-electron infinite series of Feshbach resonances embedded in the two-electron continuum. The prominent resonance structure observed highlights the need to consider multiple excitation processes in atoms more complex than He or quasi-two-electron systems.

74 ATOMIC AND MOLECULAR PHYSICS↗

Lensing Constraints on the Mass Profile Shape and the Splashback Radius of Galaxy Clusters

The lensing signal around galaxy clusters can, in principle, be used to test detailed predictions for their average mass profile from numerical simulations. However, the intrinsic shape of the profiles can be smeared out when a sample that spans a wide range of cluster masses is averaged in physical length units. This effect especially conceals rapid changes in gradient such as the steep drop associated with the splashback radius, a sharp edge corresponding to the outermost caustic in accreting halos. We optimize the extraction of such local features by scaling individual halo profiles to a number of spherical overdensity radii, and apply this method to 16 X-ray-selected, high-mass clusters targeted in the Cluster Lensing And Supernova survey with Hubble. By forward-modeling the weak- and strong-lensing data presented by Umetsu et al., we show that, regardless of the scaling overdensity, the projected ensemble density profile is remarkably well described by a Navarro–Frenk–White (NFW) or Einasto profile out to R∼2.5 h{sup −1} Mpc, beyond which the profiles flatten. We constrain the NFW concentration to c{sub 200c}=3.66±0.11 at M{sub 200c}≃1.0×10{sup 15} h{sup −1} M{sub ⊙}, consistent with and improved from previous work that used conventionally stacked lensing profiles, and in excellent agreement with theoretical expectations. Assuming the profile form of Diemer and Kravtsov and generic priors calibrated from numerical simulations, we place a lower limit on the splashback radius of the cluster halos, if it exists, of R{sub sp}{sup 3D}/r{sub 200m}>0.89 (R{sub sp}{sup 3D}>1.83 h{sup −1} Mpc) at 68% confidence. The corresponding density feature is most pronounced when the cluster profiles are scaled by r{sub 200m}, and smeared out when scaled to higher overdensities.

79 ASTRONOMY AND ASTROPHYSICS↗

Computation of sharp-fin-induced shockwave/turbulent boundary layer interactions

Solutions of the Reynolds-averaged Navier-Stokes equations are presented and are compared with a family of experimental results for the three-dimensional interaction of a sharp-fin-induced shock wave with a turbulent boundary layer. The solutions predict most of the essential features of the flow fields for various shock-wave strengths. However, some features of the measured flow fields, such as secondary separation and size of the largest separated zones were not accurately computed. The computed flow fields, aided by particle tracing techniques, display a prominent vortical structure which can be correlated with the observed surface phenomena.

Horstman, C. C.↗

High-resolution dynamical modelling of the Antarctic stratospheric vortex

Progress is reported on the high-resolution three-dimensional numerical simulation of flows characteristic of the Antarctic wintertime stratosphere. The numerical model is a modified version of the Reading University sigma-coordinate used previously for tropospheric studies. Physical parameterizations are kept to a minimum in order to concentrate as much computing power as possible on simulating details of the dynamical processes. The major question addressed is whether the features observed in recent high-resolution two-dimensional simulations - namely: (1) the formation of a sharp edge to the vortex (seen in the potential vorticity field), (2) the survival of the polar vortex in a material entity, and (3) the formation of small-scale eddies rough the break-up of tongues of high potential vorticity drawn out from the polar vortex - are realized in three-dimensional simulations.

Haynes, P. H.↗

The critical complex in nucleation is not the nucleus

A theory of nucleation is presented which combines features of classical nucleation. In this theory, the nucleus is a cluster of finite size with a sharp interface and spinodal decomposition, in which a fluctuation in density or composition generates the critical complex and nucleus. Thus, the nucleus is a product of nucleation. Schematic models for the classical and the proposed routes to nucleation are compared, focusing on the relation between pressure and volume in the models. In the proposed model, the critical complex, or critical state, is between the parent state and the nucleus.

Rasmussen, Don H.↗

K-Shell Photoionization of Nickel Ions Using R-Matrix

We present R-matrix calculations of photoabsorption and photoionization cross sections across the K edge of the Li-like to Ca-like ions stages of Ni. Level-resolved, Breit-Pauli calculations were performed for the Li-like to Na-like stages. Term-resolved calculations, which include the mass-velocity and Darwin relativistic corrections, were performed for the Mg-like to Ca-like ion stages. This data set is extended up to Fe-like Ni using the distorted wave approximation as implemented by AUTOSTRUCTURE. The R-matrix calculations include the effects of radiative and Auger dampings by means of an optical potential. The damping processes affect the absorption resonances converging to the K thresholds causing them to display symmetric profiles of constant width that smear the otherwise sharp edge at the K-shell photoionization threshold. These data are important for the modeling of features found in photoionized plasmas.

Witthoeft, M. C.↗

Power suppression at large scales in string inflation

We study a possible origin of the anomalous suppression of the power spectrum at large angular scales in the cosmic microwave background within the framework of explicit string inflationary models where inflation is driven by a closed string modulus parameterizing the size of the extra dimensions. In this class of models the apparent power loss at large scales is caused by the background dynamics which involves a sharp transition from a fast-roll power law phase to a period of Starobinsky-like slow-roll inflation. An interesting feature of this class of string inflationary models is that the number of e-foldings of inflation is inversely proportional to the string coupling to a positive power. Therefore once the string coupling is tuned to small values in order to trust string perturbation theory, enough e-foldings of inflation are automatically obtained without the need of extra tuning. Moreover, in the less tuned cases the sharp transition responsible for the power loss takes place just before the last 50-60 e-foldings of inflation. We illustrate these general claims in the case of Fibre Inflation where we study the strength of this transition in terms of the attractor dynamics, finding that it induces a pivot from a blue to a redshifted power spectrum which can explain the apparent large scale power loss. We compute the effects of this pivot for example cases and demonstrate how magnitude and duration of this effect depend on model parameters.

79 ASTRONOMY AND ASTROPHYSICS↗

Role of weak interlayer coupling in ultrafast exciton-exciton annihilation in two-dimensional rhenium dichalcogenides

Strong interactions between excitons are a characteristic feature of two-dimensional (2D) semiconductors, determining important excitonic properties, such as exciton lifetime, coherence, and photon-emission efficiency. Rhenium disulfide (ReS 2 ), a member of the 2D transition-metal dichalcogenide (TMD) family, has recently attracted great attention due to its unique excitons that exhibit excellent polarization selectivity and coherence features. However, an in-depth understanding of exciton-exciton interactions in ReS 2 is still lacking. In this work, we used ultrafast pump-probe spectroscopy to study exciton-exciton interactions in monolayer (1L), bilayer (2L), and triple layer ReS 2 . Additionally, we directly measure the rate of exciton-exciton annihilation, a representative Auger-type interaction between excitons. It decreases with increasing layer number, as observed in other 2D TMDs. However, while other TMDs exhibit a sharp weakening of exciton-exciton annihilation between 1L and 2L, such behavior was not observed in ReS 2 . We attribute this distinct feature in ReS 2 to the relatively weak interlayer coupling, which prohibits a substantial change in the electronic structure when the thickness varies. This work not only highlights the unique excitonic properties of ReS 2 but also provides novel insight into the thickness dependence of exciton-exciton interactions in 2D systems.

36 MATERIALS SCIENCE↗

Sulfur Hydrides: Phase Diagram and the Transition into the Record-High T{sub c} State

Remarkable feature of the phase diagram of sulfur hydrides, the record-high T{sub c} superconductors, is a sharp increase near P ≈ 150 GPa from T{sub c} ≈ 120 to ≈ 200 K. This increase is a signature of the structural transition. The present study is concerned with the nature of this phase transition. One can demonstrate that the symmetry analysis along with an analysis of the impact of lattice deformations lead to the conclusion that we are dealing with the first-order transition. Such a transition is manifested in an abrupt appearance of small pockets on the Fermi surface and, correspondingly, the two-gap energy spectrum.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Superconductivity in the Narrow Gap Semiconductor RbBi 11/3 Te 6

Superconductivity was discovered in the layered compound RbBi 11/3 Te 6 , featuring Bi vacancies and a narrow band gap of 0.25(2) eV at room temperature. In addition, a sharp superconducting transition at similar to 3.2 K was observed in polycrystalline ingots. The superconducting volume fraction of oriented single crystals is almost 100%, confirming bulk superconductivity. Systematic Se and Sb substitutions in RbBi 11/3-y Sb y Se x Te 6-x , revealed a dependence of the superconducting transition on composition that can increase the T c up to similar to 10%. The RbBi 11/3 Te 6 system is the first member of the new homologous series Rb[Bi 2n+11/3 Te 3n+6 ] with infinite Bi 2 Te 3 -like layers. Lastly, the large degree of chemical tunability of the electronic structure of the homology via doping and/or substitution gives rise to a new family of superconductors.

36 MATERIALS SCIENCE↗

Unravelling ultralow thermal conductivity in perovskite Cs2AgBiBr6: dominant wave-like phonon tunnelling and strong anharmonicity

Abstract Understanding the lattice dynamics and heat transport physics in the lead-free halide double perovskites remains an outstanding challenge due to their lattice dynamical instability and strong anharmonicity. In this work, we investigate the microscopic mechanisms of anharmonic lattice dynamics and thermal transport in lead-free halide double perovskite Cs 2 AgBiBr 6 from first principles. We combine self-consistent phonon calculations with bubble diagram correction and a unified theory of lattice thermal transport that considers both the particle-like phonon propagation and wave-like tunnelling of phonons. An ultra-low thermal conductivity at room temperature (~0.21 Wm −1 K −1 ) is predicted with weak temperature dependence( ~ T −0.34 ), in sharp contrast to the conventional ~T −1 dependence. Particularly, the vibrational properties of Cs 2 AgBiBr 6 are featured by strong anharmonicity and wave-like tunnelling of phonons. Anharmonic phonon renormalization from both the cubic and quartic anharmonicities are found essential in precisely predicting the phase transition temperature in Cs 2 AgBiBr 6 while the negative phonon energy shifts induced by cubic anharmonicity has a significant influence on particle-like phonon propagation. Further, the contribution of the wave-like tunnelling to the total thermal conductivity surpasses that of the particle-like propagation above around 310 K, indicating the breakdown of the phonon gas picture conventionally used in the Peierls-Boltzmann Transport Equation. Importantly, further including four-phonon scatterings is required in achieving the dominance of wave-like tunnelling, as compared to the dominant particle-like propagation channel when considering only three-phonon scatterings. Our work highlights the importance of lattice anharmonicity and wave-like tunnelling of phonons in the thermal transport in lead-free halide double perovskites.

Chemistry↗