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At least 199 records · Page 11

The Shane-Wirtanen counts - Observer and time-dependent effects

In a recent paper, de Lapparent, Kurtz, and Geller (1986) announce the discovery of possible observer and time-dependent effects in the counts of galaxies in the Lick catalog and suggest that these effects may have distorted the galaxy correlation function calculated by Groth and Peebles (1986) from the Lick counts. In particular, they suggest that these effects may have introduced a break where none exists or may have diluted a break stronger than that seen by Groth and Peebles. The Lick counts have been reexamined and it is found that the observer and time-dependent effects are marginal and that they can have had only a negligible effect on the estimates of the correlation functions. Correlation functions have been calculated for each observer and time period separately and it is found that they all depart from the small-angle power law at about the expected scale. Further, the average of these correlation functions agrees extremely well with the average correlation function published by Groth and Peebles.

Groth, Edward J.

Interaction of a decaying vortex ring with a rotational background flow bounded by a solid wall

The interaction between a vortex ring of finite strength and an axisymmetric rotational background flow bounded by a solid wall is studied by a singular perturbation method. The analysis is carried out by combining a composite solution of a vortex ring and an unsteady Navier-Stokes solution for the background rotational flow. Using the method of averaging, numerical scheme is developed to obtain a Navier-Stokes solution in which the grid and time-step sizes depend solely on the length and velocity scales of the background flow. Numerical results are presented to illustrate the separation of the boundary layer on a solid wall and its interaction with the vortex ring.

Ishii, K.

Finite-Difference Algorithms For Computing Sound Waves

Governing equations considered as matrix system. Method variant of method described in "Scheme for Finite-Difference Computations of Waves" (ARC-12970). Present method begins with matrix-vector formulation of fundamental equations, involving first-order partial derivatives of primitive variables with respect to space and time. Particular matrix formulation places time and spatial coordinates on equal footing, so governing equations considered as matrix system and treated as unit. Spatial and temporal discretizations not treated separately as in other finite-difference methods, instead treated together by linking spatial-grid interval and time step via common scale factor related to speed of sound.

Davis, Sanford

Unsteady Phenomena in Shock Wave/Boundary Layer Interaction

A brief review is given of the unsteadiness of shock wave/turbulent boundary layer interaction. The focus is on interactions generated by swept and unswept compression ramps, by flares, steps and incident shock waves, by cylinders and blunt fins, and by glancing shock waves. The effects of Mach number, Reynolds number, and separated flow scale are discussed as are the physical causes of the unsteadiness. The implications that the unsteadiness has for interpreting time-average surface and flowfield data, and for comparisons of such experimental data with computation, is also briefly discussed. Finally, some suggestions for future work are given. It is clear that there are large gaps in the data base and that many aspects of such phenomena are poorly understood. Much work remains to be done.

Dolling, D. S.

Attributes of GRB Pulses: Analysis of BATSE TTE Data

Our extensive program of modeling GRB profiles is aimed at elucidating the physical processes responsible for the burst itself, as well as possible extrinsic phenomena (e.g. time dilation) as discussed in another paper in this Symposium (Norris et al., "GRB PROFILES AS COSMIC PROBES"). We have developed special methods to extract the wealth of short time-scale information contained in the BATSE time-tag event (TTE) data. Our algorithm yields a piecewise-constant representation of the light curve -- using only the raw photon arrival times, and based on Bayesian change-point methods. This representation in effect lets the data determine the bin size and location, and avoids unwanted effects due to arbitrary choices of the bin parameters. We have determined widths, separations, and amplitudes of pulses contained in the bursts, without invoking a specific pulse model. The effect of cosmic time dilation can be easily seen in a direct plot of amplitude vs. time scale for individual pulses, without the need to lump the data into a small number of brightness classes. We are also performing noise equalization on these data (to reduce a well-known bias of pulse width as a function of signal-to-noise ratio), as well as fits of parametric pulse-shape models -- including explicit energy dependence of the pulse parameters. Such refinements are expected to improve the quality and physical significance of these results.

Norris, J. P.

Time-dependent thermocapillary convection in a Cartesian cavity - Numerical results for a moderate Prandtl number fluid

The present numerical simulation explores a thermal-convective mechanism for oscillatory thermocapillary convection in a shallow Cartesian cavity for a Prandtl number 6.78 fluid. The computer program developed for this simulation integrates the two-dimensional, time-dependent Navier-Stokes equations and the energy equation by a time-accurate method on a stretched, staggered mesh. Flat free surfaces are assumed. The instability is shown to depend upon temporal coupling between large scale thermal structures within the flow field and the temperature sensitive free surface. A primary result of this study is the development of a stability diagram presenting the critical Marangoni number separating steady from the time-dependent flow states as a function of aspect ratio for the range of values between 2.3 and 3.8. Within this range, a minimum critical aspect ratio near 2.3 and a minimum critical Marangoni number near 20,000 are predicted below which steady convection is found.

Peltier, L. J.

A model of the high-latitude ionospheric convection pattern

Mathematical expressions have been constructed that allow the large-scale global convection characteristics of the high-latitude ionosphere to be reproduced. The model contains no discontinuities in the ion convection velocity and as such should be useful in F region chemical models. The number of variables in the model allow such features as the dayside throat and the Harang discontinuity to be modeled. The applicability of the model to magnetospheric physics is limited by the exclusion of large-magnitude small-scale flow features associated with discrete arcs and by the inability of the model to produce separate flow cells at the same local time.

Heelis, R. A.

Development of a bench-scale dissolution concept for the direct extraction of nuclear fuel

Current used nuclear fuel reprocessing efforts utilize a hydrometallurgical approach in which the UNF is dissolved in hot nitric acid followed by solvent extraction into an organic solvent to harvest target nuclides. Previous studies have shown that the dissolution and loading process could be combined into a single organic dissolution/extraction step, producing loaded organic in a single step process. This single step process also includes the advantage of selectively targeting key nuclides in the dissolution while leaving undesirable constituents as part of the undissolved solids. This process is referred to hereafter as direct extraction. Ongoing research from multiple national labs has proven the effectiveness of this technique at research scale. Therefore, potential methods to implement direct extraction at both bench and industrial scale have been developed. The key features of potential dissolver system designs were identified via the team at Pacific Northwest National Laboratory and several designs based on industrial counterparts were assessed for feasibility. This report summarizes the advantages and disadvantages of multiple methods, concluding with a path forward to create multiple unique dissolver designs. The first design will be a single stage recirculating eductor mixer. The second design recommendation is a stator rotor static mixing flow loop design. Each dissolver could be utilized separately, simultaneously, or in series to answer questions surrounding reaction kinetics including residence time, provide a proof of concept for targeted extractions of specific nuclides, and inform needs for industrial scale implementation

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS

Isolating the Vibrational Spectra of the Red Chlorophylls in Photosystem I with Multispectral Two-Dimensional Spectroscopy

Photosystem I (PSI) uses an antenna of chlorophyll (Chl) molecules to create a charge separated state with high quantum efficiency. Understanding the charge separation mechanism is currently hindered by spectral overlap between the antenna and reaction center (RC) Chls and the fact that energy transfer and electron transfer occur with similar time scales. Here, we characterize the antenna excited states by applying two-dimensional electronic (2DES) and two-dimensional electronic-vibrational (2DEV) spectroscopy to PSI complexes with closed RCs. Comparison of the 2DES and 2DEV spectra, which evolve with the same kinetics, enabled characterization of the vibrational modes of the antenna during energy equilibration between spectrally distinct Chls. Through global analysis, we learn how energy transfer between the Bulk and Red Chls presents in the 2DEV spectra and we definitively identify vibrations of the cationic components of the mixed exciton and intermolecular charge transfer states associated with the Red Chls. This work enables future studies of the initial charge separation mechanism of PSI by 2DEV spectroscopy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH

Standard Giant Branches in the Washington Photometric System

We have obtained CCD photometry in the Washington system C, T(sub 1) filters for some 850,000 objects associated with 10 Galactic globular clusters and 2 old open clusters. These clusters have well-known metal abundances, spanning a metallicity range of 2.5 dex from [Fe/H] approx -2.25 to +0.25 at a spacing of approx. 0.2 dex. Two independent observations were obtained for each cluster and internal checks, as well as external comparisons with existing photoelectric photometry, indicate that the final colors and magnitudes have overall uncertainties of 0.03 mag. Analogous to the method employed by Da Costa and Armandroff for V, I photometry , we then proceed to construct standard ((M(sub T),(C - T(sub 1))(sub 0)) giant branches for these clusters adopting the Lee et distance scale, using some 350 stars per globular cluster to define the giant branch. We then determine the metallicity sensitivity of the ((C - T(sub 1))(sub 0) color at a given M((sub T)(sub 1)) value. The Washington system technique is found to have three times the metallicity sensitivity of the V, I technique. At M((sub T)(sub 1)) = -2 (about a magnitude below the tip of the giant branch, roughly equivalent to M(sub I) = -3), the giant branches of 47 Tuc and M15 are separated by 1.16 magnitudes in (V - l)(sub 0) and only 0.38 magnitudes in (V - I)(sub 0). Thus, for a given photometric accuracy, metallicities can be determined three times more precisely with the Washington technique. We find a linear relationship between (C - T(sub l)(sub 0) (at M(sub T)(sub 1) = -2) and metallicity exists over the full metallicity range, with an rms of only 0.04 dex. We also derive metallicity calibrations for M(sub T)(sub 1) = -2.5 and -1.5, as well as for two other metallicity scales. The Washington technique retains almost the same metallicity sensitivity at faint magnitudes , and indeed the standard giant branches are still well separated even below the horizontal branch. The photometry is used to set upper limits in the range 0.03 - 0.09 dex for any intrinsic metallicity dispersion in the calibrating clusters. The calibrations are applicable to objects with ages approx. greater than 5 Gyr - any age effects are small or negligible for such objects. This new technique is found to have many advantages over the old two-color diagram technique for deriving metallicities from Washington photometry. In addition to only requiring 2 filters instead of 3 or 4, the new technique is generally much less sensitive to reddening and photometric errors, and the metallicity sensitivity is many times higher. The new technique is especially advantageous for metal-poor objects. The five metal-poor clusters determined by Geisler et al., using the old technique, to be much more metal-poor than previous indications, yield metallicities using the new technique which are in excellent agreement with the Zinn scale.

Geisler, Doug

Anisotropic Hot Spot Formation at a Grain Boundary in Shock-Compressed TATB High Explosive Crystal

Secondary high explosives (HEs) exhibit rich microstructure that promotes the formation of hot spots responsible for detonation initiation, but the role of microstructural interfaces remains poorly quantified. To this end, we develop extensions for the generalized crystal-cutting method (GCCM) to prepare molecular dynamics (MD) simulation cells containing grain boundaries (GBs) and other crystal–crystal interfaces with prescribed tilt and twist orientations. Using the GCCM, we perform MD simulations of shock interactions with a GB between the (001) and (100) crystal facets in the secondary HE TATB (1,3,5-triamino-2,4,6-trinitrobenzene). Our MD simulations reveal a strong directional dependence to the formation of a hot spot at the GB interface. In particular, transmission of the shock from the (001) grain to the (100) grain yields a hot spot in the (100) grain at the GB interface, whereas no hot spot is produced when an equivalent shock transits the GB in the opposite direction. We trace the origin of this GB anisotropy to three dominant factors: (1) the intrinsic differences in shock-deformation mechanisms and wave structures for the bulk (100) and (001) grains, which leads to distinct geometries and mechanical impedances upon shock arrival to the GB depending on which grains are donor or acceptor for the transmitted shock; (2) the different time intervals separating the initial shock rise and the formation of steady wave structures in the respective donor–acceptor configurations; and (3) the differences in time scales required to re-establish local thermal equilibrium. Interfacial hot spots form when these factors combine to impede development of a steady two-wave structure and instead induce a localized, pseudosingly shocked region that undergoes a higher rate of work production (resulting in a higher temperature) compared to when the steady two-wave structure develops further from the interface. The extensions to the GCCM approach presented here are anticipated to facilitate a wide range of MD studies that focus on understanding the role of crystal–crystal interfaces in molecular materials.

organic

On the attitude motion of an orbiting rigid body under the influence of gravity gradient torque

An investigation is made of the rotational motion of a rigid body orbiting the earth, under the influence of the geogravity-gradient torque. The attitude dynamics are formulated as perturbations from a nominal case. The perturbed equations are solved asymptotically, by the multiple scales technique. The independent variable, time, is extended into a space of higher dimension by means of new scales, fast, slow, etc. Integration of the equations is carried out separately in the new variables. The rapid and slow aspects of the attitude dynamics are systematically separated, resulting in a more efficient computer implementation and enhanced physical insight. The theory is applied to predict the attitude dynamics of an asymmetric rigid body satellite. A comparison is made of the maximum errors as the step size increases as predicted by the multiple scales solution and direct numerical integration. An improvement in computational speed of an order of magnitude is demonstrated.

Tao, Y. C.

EXOSAT observations of 3C 371

The N galaxy/BL Lacertae object 3C 371 was observed by EXOSAT on two occasions separated by 18 days in September 1984. The low-energy and medium-energy X-ray flux has varied on the time scale of years (in comparison with HEAO 1 and Einstein Observatory measurements), 18 days (between the authors' two observations), and 8 hr to about 25 minutes within the authors first observation. The 0.05-6 keV energy spectrum was determined using data acquired during the first observation with the low-energy telescope and channeltron matrix array detector (LE) and medium-energy proportional counters (ME). It is found that the spectrum probably consists of two components, with the steeper one at low photon energies.

Staubert, R.

Biotechnological solutions for critical mineral recovery from unconventional feedstocks

Secure and sustainable metal recovery from unconventional feedstocks is needed to meet the mineral demands of energy, defense, and electronic technologies. Here, we highlight the potential to leverage nature’s ability to extract and differentiate metal ions in biotechnologies that could become the next generation of mining and refining. We describe bulk and trace processes and then discuss the advances and opportunities of two key bioprocesses: microbially mediated solubilization of metal ions from solid matrices (termed ‘bioleaching’) and bio-based separation of solubilized ions via selective adsorption to proteins. Both biotechnologies have advantages such as reduced energy input for leaching low-grade feedstocks and reduced organic solvent demand for separating ions with similar physiochemical properties but require more development for industrial scale recovery from unconventional feedstocks. Innovation in biological science and engineering may bring timely solutions to key challenges toward recovering critical minerals from unconventional feedstocks.

organic

Excitons in Hematite Fe 2 O 3 : Short-Time Dynamics from TD-DFT and Non-Adiabatic Dynamics Theories

We present a first-principles study of the short-time dynamics of excitons in hematite Fe 2 O 3 . We used time-dependent density functional theory (TD-DFT) with an underlying DFT+U treatment of electron interactions to characterize the electronic structure of excitons and nonadiabatic molecular dynamics theory (NA-MD) to determine their recombination (electronic ground-state recovery) and relaxation dynamics. Decoherence-corrected trajectory surface hopping approaches in NA-MD simulations yielded recovery times of ~1.1 to 1.8 ns and “higher-lying” exciton relaxation times of ~60 to 70 fs, in accord with experimentally derived lifetimes. With hematite phonons in the range of ~100 to 700 cm –1 , higher-lying excitons relax within one or two oscillations of the phonons before getting trapped into an electron–hole pair Exc-3 structure on the first excited state potential energy surface. This structure resembles already a pair of polarons (electron polaron plus hole polaron) with associated lattice distortions three (3) basal planes away. On longer time scales, the electron–hole bipolaronic pair hops to structures Exc-5, then Exc-7, then Exc-9, ... with the electron polaron and hole polaron separated by 5, 7, 9, ... basal planes in a process of charge separation. The largest frequency phonon ~672 cm –1 for the Exc-3 exciton structure is associated with the electron polaron moiety of the exciton. This phonon is a good candidate for giving rise to the recently observed and reported postexcitation transient IR absorption peak.

36 MATERIALS SCIENCE

Differentiating the role of land surface variability and cloudiness variability on global energy transport within the atmosphere and oceans

The following provides the final report on NASA IDP Project NAGW-1840 'Differentiating the Role of Land Surface Variability on Global Energy Transport within the Atmosphere and Oceans'. The project was designed to investigate the role of regional perturbations in the earth radiation budget on atmospheric and oceanic energy transports on an interannual basis. We proposed a modeling strategy based on an entropy extremum principle that could be used to separate the transports into oceanic and atmospheric components so as to better understand the effects of regional perturbations at the distinct atmospheric and oceanic time scales. The original focus was to consider the maintenance and year-to-year modulation of a large-scale, low-latitude North African-West Pacific Ocean net radiation dipole, which we had detected in the Nimbus 6 and 7 record of earth radiation budget measurements, and which necessitated significant cross-meridional energy transports to maintain global equilibrium. In addition, perturbations in the radiation balance term were to be partitioned into cloud-induced and surface-induced components to better understand the feedbacks between clouds and surface boundary conditions on interannual variability of the radiation balance.

Smith, Eric A.

Large-scale structure effects on the gravitational lens image positions and time delay

We compute the fluctuations in gravitational lens image positions and time delay caused by large-scale structure correlations. We show that these fluctuations can be expressed as a simple integral over the density power spectrum. Using the Cosmic Background Explorer (COBE) normalization we find that positions of objects at cosmological distances are expected to deviate from their true positions by few arcminutes. These deflections are not directly observable. The positions of the images relative to one another fluctuate by a few percent of the relative separation, implying that one does not expect multiple images to be produced by large-scale structure. Nevertheless, the fluctuations are larger than the observational errors on the positions and affect reconstructions of the lens potential. The time delay fluctuations have a geometrical and a gravitational contribution. Both are much larger than the expected time delay from the primary lens, but partially cancel each other. We find that large-scale structure weakly affects the time delay and time delay measurements can be used as a probe of the distance scale in the universe.

Seljak, Uros

Nonlinear Scaling of Water–Ion Interactions and Dynamics in Alkaline Solutions

Water-ion interactions govern many solvent properties critical to solution-phase chemistry and the behavior of liquid water. The water-ion interactions in alkaline conditions were probed using two-dimensional infrared spectroscopy (2D IR), small-angle x-ray scattering (SAXS), and nuclear magnetic resonance spectroscopy (NMR). Energy transfer between the donor molecule KSeCN, used as a 2D IR probe, and the acceptor molecule NaOD was used to track the average separation distance of ions in a D 2 O solution, while SAXS measurements showed effects in the bulk D 2 O solvent. Here, we observe consistent nonlinear scaling in the SeCN - and OD - average separation distance as a function of NaOD concentration while bulk solution D 2 O-to-D 2 O average separation distance remained highly linear. Ultrafast measurements of solution dynamics via 2D IR and polarization-selective pump-probe spectroscopy show consistent scaling in correlation times as a function of concentration. These results suggests that the SeCN - and OD - anions participate in a water-ion network that significantly reduces the degrees of freedom for the distribution of ions in solution below the standard stochastic for ion distribution.

2D IR Spectroscopy