The Development of an Optical Centrifuge for Chemical Dynamics Studies as Probed through Time-Resolved Coherent Raman Scattering.
Abstract not provided.
Kliewer, Christopher↗
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A study of the feasibility of ultraviolet spectrometry for cometary missions
Ultraviolet spectra fo the comet West obtained by sounding rocket experiments in 1976 are reproduced and interpreted in order to estimate the expected brightness of the emission features and determine the spatial extent of these features for the proposed Halley Flyby/Tempel 2 rendezvous and the possible Halley or Encke flybys close to perihelion. A coma model was constructed and evaluated for the physical condition of candidate targets such as heliocentric distance, gas production, and composition. In addition to brightness profiles, the neutral and ion densities of the principal species are also dervied. The brightness profiles can be used to determine the feasibility of utilizing the space telescope to provide supporting observations during the mission. Basic parameters identified are spectral range, wavelength resolution, spatial resolution, sensitivity and dynamic range, rejection of scattered light, and integration or accumulation time.
Feldman, P. D.↗
Semiclassical theory of electronically nonadiabatic transitions in molecular collision processes
An introductory account of the semiclassical theory of the S-matrix for molecular collision processes is presented, with special emphasis on electronically nonadiabatic transitions. This theory is based on the incorporation of classical mechanics with quantum superposition, and in practice makes use of the analytic continuation of classical mechanics into the complex space of time domain. The relevant concepts of molecular scattering theory and related dynamical models are described and the formalism is developed and illustrated with simple examples - collinear collision of the A+BC type. The theory is then extended to include the effects of laser-induced nonadiabatic transitions. Two bound continuum processes collisional ionization and collision-induced emission also amenable to the same general semiclassical treatment are discussed.
Lam, K. S.↗
Probabilistic evaluation of uncertainties and risks in aerospace components
This paper summarizes a methodology developed at NASA Lewis Research Center which computationally simulates the structural, material, and load uncertainties associated with Space Shuttle Main Engine (SSME) components. The methodology was applied to evaluate the scatter in static, buckling, dynamic, fatigue, and damage behavior of the SSME turbo pump blade. Also calculated are the probability densities of typical critical blade responses, such as effective stress, natural frequency, damage initiation, most probable damage path, etc. Risk assessments were performed for different failure modes, and the effect of material degradation on the fatigue and damage behaviors of a blade were calculated using a multi-factor interaction equation. Failure probabilities for different fatigue cycles were computed and the uncertainties associated with damage initiation and damage propagation due to different load cycle were quantified. Evaluations on the effects of mistuned blades on a rotor were made; uncertainties in the excitation frequency were found to significantly amplify the blade responses of a mistuned rotor. The effects of the number of blades on a rotor were studied. The autocorrelation function of displacements and the probability density function of the first passage time for deterministic and random barriers for structures subjected to random processes also were computed. A brief discussion was included on the future direction of probabilistic structural analysis.
Shah, A. R.↗
Observations of loops and prominences
We review recent observations by the Yohkoh-SXT (Soft X-ray Telescope) in collaboration with other spacecraft and ground-based observatories of coronal loops and prominences. These new results point to problems that SoHO will be able to address. With a unique combination of rapid-cadence digital imaging (greater than or equal to 32 s full-disk and greater than or equal to 2 s partial-frame images), high spatial resolution (greater than or equal to 2.5 arcsec pixels), high sensitivity (EM less than or equal to 10(exp 42) cm(exp -3)), a low-scatter mirror, and large dynamic range, SXT can observe a vast range of targets on the Sun. Over the first 21 months of Yohkoh operations SXT has taken over one million images of the corona and so is building up an invaluable long-term database on the large-scale corona and loop geometry. The most striking thing about the SXT images is the range of loop sizes and shapes. The active regions are a bright tangle of magnetic field lines, surrounded by a network of large-scale quiet-Sun loops stretching over distances in excess of 105 km. The cross-section of most loops seems to be constant. Loops displaying significant Gamma's are the exception, not the rule, implying the presence of widespread currents in the corona. All magnetic structures show changes. Time scales range from seconds to months. The question of how these structures are formed, become filled with hot plasma, and are maintained is still open. While we see the propagation of brightenings along the length of active-region loops and in X-ray jets with velocities of several hundred km/s, much higher velocities are seen in the quiet Sun. In XBP flares, for example, velocities of over 1000 km/s are common. Active-region loops seem to be in constant motion, moving slowly outward, carrying plasma with them. During flares, loops often produce localized brightenings at the base and later at the apex of the loop. Quiescent filaments and prominences have been observed regularly. Their coronal manifestation seems to be an extended arcade of loops overlying the filament. Reliable alignment of the ground-based data with the X-ray images make it possible to make a detailed intercomparison of the hot and cold plasma structures over extended periods. Hence we are able to follow the long-term evolution of these structures and see how they become destabilized and erupt.
Strong, Keith T.↗
Theory of Type 3 and Type 2 Solar Radio Emissions
The main features of some current theories of type III and type II bursts are outlined. Among the most common solar radio bursts, type III bursts are produced at frequencies of 10 kHz to a few GHz when electron beams are ejected from solar active regions, entering the corona and solar wind at typical speeds of 0.1c. These beams provide energy to generate Langmuir waves via a streaming instability. In the current stochastic-growth theory, Langmuir waves grow in clumps associated with random low-frequency density fluctuations, leading to the observed spiky waves. Nonlinear wave-wave interactions then lead to secondary emission of observable radio waves near the fundamental and harmonic of the plasma frequency. Subsequent scattering processes modify the dynamic radio spectra, while back-reaction of Langmuir waves on the beam causes it to fluctuate about a state of marginal stability. Theories based on these ideas can account for the observed properties of type III bursts, including the in situ waves and the dynamic spectra of the radiation. Type 11 bursts are associated with shock waves propagating through the corona and interplanetary space and radiating from roughly 30 kHz to 1 GHz. Their basic emission mechanisms are believed to be similar to those of type III events and radiation from Earth's foreshock. However, several sub-classes of type II bursts may exist with different source regions and detailed characteristics. Theoretical models for type II bursts are briefly reviewed, focusing on a model with emission from a foreshock region upstream of the shock for which observational evidence has just been reported.
Robinson, P. A.↗
The Solar System Beyond Neptune
This proposal supported deep and wide-field optical imaging of the trans-Neptunian Solar System capitalizing on our broad access to state-of-the-art facilities on Mauna Kea. Key quantities determined include the size distribution of Kuiper Belt objects (a differential power law with an index -4), and the inclination and radial distance distributions. We identified an outer edge to the classical Kuiper Belt that has since been confirmed by independent workers. We also obtained an assessment of the population densities in the mean-motion resonances with Neptune and discovered the Scattered Kuiper Belt Object dynamical class. Scientific issues on which these measurements have direct bearing include the collisional environment of the Kuiper Belt, the origin of the short-period comets, and the origin by capture into resonance of Pluto and other Kuiper Belt objects.
Jewitt, David↗
Cation Dynamics in Hybrid Halide Perovskites
Hybrid halide perovskite semiconductors exhibit complex, dynamical disorder while also harboring properties ideal for optoelectronic applications that include photovoltaics. However, these materials are structurally and compositionally distinct from traditional compound semiconductors composed of tetrahedrally coordinated elements with an average valence electron count of silicon. The additional dynamic degrees of freedom of hybrid halide perovskites underlie many of their potentially transformative physical properties. Neutron scattering and spectroscopy studies of the atomic dynamics of these materials have yielded significant insights into their functional properties. Specifically, inelastic neutron scattering has been used to elucidate the phonon band structure, and quasi-elastic neutron scattering has revealed the nature of the uncorrelated dynamics pertaining to molecular reorientations. Understanding the dynamics of these complex semiconductors has elucidated the temperature-dependent phase stability and origins of defect-tolerant electronic transport from the highly polarizable dielectric response. Furthermore, the dynamic degrees of freedom of the hybrid perovskites provide additional opportunities for application engineering and innovation.
Materials Science↗
The Terahertz Dynamics of an Aqueous Nanoparticle Suspension: An Inelastic X-ray Scattering Study
We used the high-resolution Inelastic X-ray Scattering beamline of the Advanced Photon Source at Argonne National Laboratory to measure the terahertz spectrum of pure water and a dilute aqueous suspension of 15 nm diameter spherical Au nanoparticles (Au-NPs). We observe that, despite their sparse volume concentration of about 0.5%, the immersed NPs strongly influence the collective molecular dynamics of the hosting liquid. We investigate this effect through a Bayesian inference analysis of the spectral lineshape, which elucidates how terahertz transport properties of water change upon Au-NP immersion. In particular, we observe a nearly complete disappearance of the longitudinal acoustic mode and a mildly decreased ability to support shear wave propagation.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Quantitative x-ray scattering of free molecules
Advances in x-ray free electron lasers have made ultrafast scattering a powerful method for investigating molecular reaction kinetics and dynamics. Accurate measurement of the ground-state, static scattering signals of the reacting molecules is pivotal for these pump-probe x-ray scattering experiments as they are the cornerstone for interpreting the observed structural dynamics. Here, this article presents a data calibration procedure, designed for gas-phase x-ray scattering experiments conducted at the Linac Coherent Light Source x-ray Free-Electron Laser at SLAC National Accelerator Laboratory, that makes it possible to derive a quantitative dependence of the scattering signal on the scattering vector. A self-calibration algorithm that optimizes the detector position without reference to a computed pattern is introduced. Angle-of-scattering corrections that account for several small experimental non-idealities are reported. Their implementation leads to near quantitative agreement with theoretical scattering patterns calculated with ab-initio methods as illustrated for two x-ray photon energies and several molecular test systems.
74 ATOMIC AND MOLECULAR PHYSICS↗
Probing shock dynamics inside micro-wire targets after high-intensity laser irradiation using small angle x-ray scattering of a free-electron laser
In this paper, we present an experiment that explores the plasma dynamics of a 7μm diameter carbon wire after being irradiated with a near-relativistic-intensity short pulse laser. Using an x-ray free electron laser pulse to measure the small angle x-ray scattering signal, we observe that the scattering surface is bent and prone to instability over tens of picoseconds. The dynamics of this process are consistent with the presence of a sharp, propagating shock front inside the wire, moving at a speed close to the hole boring velocity or that expected from a thermal shock at a few tens of Mbar.
47 OTHER INSTRUMENTATION↗
Towards understanding the magnetic properties of the breathing pyrochlore compound Ba3Yb2Zn5O11through single-crystal studies
Abstract Ba 3 Yb 2 Zn 5 O 11 is exceptional among breathing pyrochlore compounds for being in the nearly-decoupled limit where inter-tetrahedron interactions are weak, hosting isolated clusters or molecular magnet-like tetrahedra of magnetic ytterbium (Yb 3+ ) ions. In this work, we present the study carried out on single-crystal samples of the breathing pyrochlore Ba 3 Yb 2 Zn 5 O 11 , using a variety of magnetometry and neutron scattering techniques along with theoretical modeling. We employ inelastic neutron scattering to investigate the magnetic dynamics as a function of applied field (with respect to both magnitude and direction) down to a temperature of 70 mK, where inelastic scattering reveals dispersionless bands of excitations as found in earlier powder sample studies, in good agreement with a single-tetrahedron model. However, diffuse neutron scattering at zero field and dc-susceptibility at finite field exhibit features suggesting the presence of excitations at low-energy that are not captured by the single tetrahedron model. Analysis of the local structure down to 2 K via pair distribution function analysis finds no evidence of structural disorder. We conclude that effects beyond the single tetrahedron model are important in describing the low-energy, low-temperature physics of Ba 3 Yb 2 Zn 5 O 11 , but their nature remains undetermined.
36 MATERIALS SCIENCE↗
Structure of the Bastnäsite (001) Surface by Crystal Truncation Rod X-ray Diffraction and Ab Initio Molecular Dynamics: Implications for Separations of a Rare Earth Ore Mineral
Bastnäsite ((Ce,La)FCO 3 ) is the primary mineral source of light rare earth elements, but its surface structure is not well understood. This presents a major challenge in improving beneficiation strategies. In this work, a synergistic combination of X-ray scattering and ab initio molecular dynamics (AIMD) was used to gain atomistic insight into the interfacial structure of bastnäsite. Surface X-ray scattering was used to measure crystal truncation rods (CTRs) of the bastnäsite (001) surface, a significant crystal face with a previously unknown termination. The best-fit atomic-scale model of the CTR data features a carbonate layer at the surface, which is stabilized by the relaxation of carbonate groups from their bulk structural positions. AIMD simulations predict similar surface relaxations, which are shown to be influenced by the protonation of oxygen atoms at the surface. Evidence of ordered water at the interface is also observed in the best-fit model and AIMD simulations. Further, the presence of a carbonate layer at this dominant crystal surface is significant for improving separation technologies because most commonly used ligands utilize anionic functional groups to chelate metal cations at particle surfaces. Without modification, anionic ligands are expected to have poor affinity for the carbonate-terminated (001) surface.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Linear magnetoresistance induced by intra-scattering semiclassics of Bloch electrons
Weak-field magnetoresistance has seen a revived interest due to the distinct role played by the momentum-space Berry curvature of Bloch electrons. While most previous studies in this regard focus on the inter-scattering motion of semiclassical Bloch electrons in electromagnetic fields, the intra-scattering effects of the semiclassical dynamics augmented by the Berry curvature, magnetic moment, and shift vector on the magnetoresistance have been largely overlooked. Here, we uncover that these intra-scattering effects, which are neglected in the field-independent relaxation time approximation to the Boltzmann collision integral, can be as important as the inter-scattering ones. In this work, concrete calculations on the two-dimensional gapped Dirac model show that the sign of the negative linear magnetoresistance given by the Berry curvature alone is reversed when one considers the magnetic moment and shift vector.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Results of various studies made with the NCAR Thermospheric General Circulation Model (TGCM) (invited review)
The NCAR thermospheric general circulation model (TGCM) has been used for a variety of thermospheric dynamic studies. It has also been used to compare model predictions with measurements made from various ground-based Fabry-Perot interferometer stations, incoherent scatter radar stations and the Dynamics Explorer satellites. The various input and output features of the model are described. These include the specification of solar EUV fluxes, and descriptions of empirical models to specify auroral particle precipitation, ion drag, and magnetospheric convection. Results are presented for solstice conditions giving the model perturbation temperature and circulation response to solar heating forcing alone and also with the inclusion of magnetospheric convections for two different dawn-dusk potential drops, 20 and 60 kV respectively. Results at two constant pressure levels Z =+1 at 300 km and Z= -4 at 120 km are presented for both the winter and summer polar cap regions. The circulation over the Northern Hemisphere polar cap in both the upper and lower thermosphere are presented along with a figure showing that the circulation is mainly a non-divergent irrotational flow responding to ion drag. The results of a study made on the Southern Hemisphere polar cap during October 1981 where Dynamics Explorer satellite measurements of winds, temperature and composition are compared to TGCM predictions are also presented. A diagnostic package that has been developed to analyze the balance of forces operating in the TGCM is presented next illustrating that in the F-region ion drag and pressure provide the main force balance and in the E-region ion drag, pressure and the coriolis forces provide the main balance. The TGCM prediction for the June 10, 1983 total solar eclipse are next presented showing a thermospheric disturbance following the path of totality. Finally, results are presented giving the global circulation, temperature and composition structure of the thermosphere for solar minimum conditions at equinox with 60 kV magnetospheric convection forcing at high latitudes.
Roble, R. G.↗
Dynamic Spin Correlations in the Honeycomb Lattice Na 2 IrO 3 Measured by Resonant Inelastic x-Ray Scattering
Not Available
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Diffusion characteristics of water molecules in a lamellar structure formed by triblock copolymers
The distribution and diffusion of water molecules are playing important roles in determining self-assembly and transport properties of polymeric systems. Small-angle neutron scattering (SANS) experiments and molecular dynamics (MD) simulation have been applied to understand the distribution of water molecules and their dynamics in the lamellar membrane formed by Pluronic L62 block copolymers. Penetration of water molecules into the polyethylene oxide (PEO) layers of the membranes has been estimated using scattering length density (SLD) profiles obtained from SANS measurements, which agree well with the molecular distribution observed from MD simulations. The water diffusion coefficient at different regions of the lamellar membrane was further investigated using MD simulation. The diffusion characteristic shows a transition from normal to anomalous diffusion as the position of the water molecule changes from the bulk to PEO and to the polypropylene oxide (PPO) layer. Here we find that water molecules within the PEO or PPO layers follow subdiffusive dynamics, which can be interpreted by the model of fractional Brownian motion.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Atomic dynamics of metallic glass melts La 50 Ni 15 Al 35 and Ce 70 Cu 19 Al 11 studied by quasielastic neutron scattering
By employing quasielastic neutron scattering, we studied the atomic-scale relaxation dynamics and transport mechanism of La 50 Ni 15 Al 35 and Ce 70 Cu 19 Al 11 metallic glass melts in the temperature range of > 200K above their liquidus temperatures. The results show that both liquids exhibit stretched exponential relaxation and Arrhenius-type temperature dependence of the effective diffusion coefficient. The La 50 Ni 15 Al 35 melt exhibits an activation energy of 0.545 ± 0.008 eV and a stretching exponent ~0.77 to 0.86 in the studied temperature range; no change of activation energy, as suggested in previous reports, associated with liquid-liquid phase transition was observed. In contrast, the Ce 70 Cu 19 Al 11 melt exhibits larger diffusivity with a much smaller activation energy of 0.201±0.003eV and a smaller stretching exponent ~0.51 to 0.60, suggestive of more heterogeneous dynamics.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗