Computational or scientific simulations are increasingly being applied to solve a variety of scientific problems. Domains such as astrophysics, engineering, chemistry, biology, and environmental studies are benefiting from this important capability. Simulations, however, produce enormous amounts of data that need to be analyzed and understood. In this overview paper, we describe scientific simulation data, its characteristics, and the way scientists generate and use the data. We then compare and contrast simulation data to data streams. Finally, we describe our approach to analyzing simulation data, present the AQSim (Ad-hoc Queries for Simulation data) system, and discuss some of the challenges that result from handling this kind of data.

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We have demonstrated a simple experimental technique that can be used to measure the nonlinear absorption coefficients in glasses. We determine BK7, UG1, and UG11 glasses to have linear absorption coefficients of 0.0217 {+-} 10% cm{sup -1}, 1.7 {+-} 10% cm{sup -1}, and 0.82 {+-} 10% cm{sup -1}, respectively, two-photon absorption cross-sections of 0.025 {+-} 20% cm/GW, 0.035 {+-} 20% cm/GW, and 0.047 {+-} 20% cm/GW, respectively, excited-state absorption cross-sections of 8.0 x 10{sup -18} {+-} 20% cm{sup 2}, 2.8 x 10{sup -16} {+-} 20% cm{sup 2}, and 5 x 10{sup -17} {+-} 20% cm{sup 2}, respectively, and solarization coefficients of 8.5 x 10{sup -20} {+-} 20% cm{sup 2}, 2.5 x 10{sup -18} {+-} 20% cm{sup 2}, and 1.3 x 10{sup -19} {+-} 20% cm{sup 2}, respectively. For our application, nonlinear effects in 10-cm of BK7 are small ({le} 2%) for 355-nm fluences < 0.2 J/cm{sup 2} for flat-top pulses. However, nonlinear effects are noticeable for 355-nm fluences at 0.8 J/cm{sup 2}. In particular, we determine a 20% increase in the instantaneous absorption from linear, a solarization rate of 4% per 100 shots, and a 10% temporal droop introduced in the pulse, for 355-nm flat-top pulses at a fluence of …

Double shell targets have been built by Lawrence Livermore National Laboratory (LLNL) for inertial confinement fusion (ICF) experiments on the Omega laser at the University of Rochester and as a prelude to similar experiments on NIF. Of particular interest to ICF studies are high-precision double shell implosion targets for demonstrating thermonuclear ignition without the need for cryogenic preparation. Because the ignition tolerance to interface instabilities is rather low, the manufacturing requirements for smooth surface finishes and shell concentricity are particularly strict. This paper describes a deterministic approach to manufacturing and controlling error sources in each component. Included is the design philosophy of why certain manufacturing techniques were chosen to best reduce the errors within the target. The manufacturing plan developed for this effort created a deterministic process that, once proven, is repeatable. By taking this rigorous approach to controlling all error sources during the manufacture of each component and during assembly, we have achieved the overall 5 {micro}m dimensional requirement with sub-micron surface flaws. Strengths and weaknesses of the manufacturing process will be discussed.

The axion is a hypothetical elementary particle and cold dark matter candidate. In this RF cavity experiment, halo axions entering a resonant cavity immersed in a static magnetic field convert into microwave photons, with the resulting photons detected by a low-noise receiver. The ADMX Collaboration presents new limits on the axion-to-photon coupling and local axion dark matter halo mass density from a RF cavity axion search in the axion mass range 1.9-2.3 {micro}eV, broadening the search range to 1.9-3.3 {micro}eV. In addition, we report first results from an improved analysis technique.

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This article discusses functional and phylogenetic analyses of a conserved regulatory program in the phloem of minor veins, which are developmentally and physiologically distinct from the phloem in the rest of the vascular system.

Thirty five years ago, while in the neutron cross section group led by Robert Howerton at LLNL, the concept of reconstructing a three dimensional spatial distribution from its projections onto two dimensional planes was tackled by some of us using three now well known methods: simple back projection, Fourier projection theorem methods and iterative least squares algebraic reconstruction. The method of iterative least squares reconstruction was implemented on patient data in the early 1970s using photons from radionuclides detected by the Anger Camera. The method useful for computed tomography was modified to include the attenuation of the photons from an unknown source through an unknown attenuation distribution (a problem thought to be intractable until 1974). These methods along with a multitude of other methods developed by my small group of Ronald Huesman, Grant Gullberg, William Greenberg and Stephen Derenzo were prepared as a library with examples in FORTRAN, RECLBL. Those codes were found useful for computed tomography, geophysical problems and plasma confinement research topics in addition to their use in Nuclear Medicine. The codes were used even in the early days of magnetic resonance imaging when back projection of filtered projection data were used before the incorporation of phase encoding …

Practical cooling rings could lead to lower cost or improved performance in neutrino factory or muon collider designs, The ring modeled here uses realistic 3-dimensional fields and includes such ''real-world'' effects as windows on the absorbers and RF cavities and leaving empty lattice cells for injection and extraction. The ring increases the density of muons in a fixed acceptance volume by a factor of 4.2.

This article discusses three-coordinate Au(I) phosphine complexes.

This article summarizes the purpose, development, and impact of the Institute of Electrical and Electronics Engineers 1547 Standard for Interconnecting Distributed Resources With Electric Power Systems. Also included is a short explanation of supporting standards IEEE P1547.1, P1547.2, and P1547.3.

We present wavelength measurements of K-shell resonance lines of O V and O VI, using the University of California Lawrence Livermore National Laboratory EBIT-I electron beam ion trap. The wavelength accuracy of better than 140 ppm is sufficient to determine gas outflow velocities of warm absorbers associated with AGNs to within 40 km/s and better. Our measurements confirm that the outflow velocities associated with NGC 5548 and derived from O V and O VI lines are similar to those derived from the O VII lines. These kinematic measurements make for further evidence that the X-ray and UV absorbers in these systems are truly two manifestations of the same physical outflow.

Planar flames are intrinsically unstable in open domains due to the thermal expansion across the burning front--the Landau-Darrieus instability. This instability leads to wrinkling and growth of the flame surface, and corresponding acceleration of the flame, until it is stabilized by cusp formation. We look at the Landau-Darrieus in stability for C/O thermonuclear flames at conditions relevant to the late stages of a Type Ia supernova explosion. Two-dimensional direct numerical simulations of both single-mode and multi-mode perturbations using a low Mach number hydrodynamics code are presented. We show the effect of the instability on the flame speed as a function of both the density and domain size, demonstrate the existence of the small scale cutoff to the growth of the instability, and look for the proposed breakdown of the non-linear stabilization at low densities. The effects of curvature on the flame as quantified through measurements of the growth rate and computation of the corresponding Markstein number. While accelerations of a few percent are observed, they are too small to have any direct outcome on the supernova explosion.

One of the major motivations driving recent interest in FFAGs is their use for the cost-effective acceleration of muons. This paper summarizes the progress in this area that was achieved leading up to and at the FFAG workshop at KEK from July 7-12, 2003. Much of the relevant background and references are also given here, to give a context to the progress we have made.

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Coherent scattering is a flavor-blind, high-rate, as yet undetected neutrino interaction predicted by the Standard Model. We propose to use a compact (kg-scale), two-phase (liquid-gas) argon ionization detector to measure coherent neutrino scattering off nuclei. In our approach, neutrino-induced nuclear recoils in the liquid produce a weak ionization signal, which is transported into a gas under the influence of an electric field, amplified via electroluminescence, and detected by phototubes or avalanche diodes. This paper describes the features of the detector, and estimates signal and background rates for a reactor neutrino source. Relatively compact detectors of this type, capable of detecting coherent scattering, offer a new approach to flavor-blind detection of man-made and astronomical neutrinos, and may allow development of compact neutrino detectors capable of nonintrusive real-time monitoring of fissile material in reactors.

The {delta} to {alpha}' phase transformation in Pu-Ga alloys is intriguing for both scientific and technological reasons. On cooling, the ductile fcc d-phase transforms martensitically to the brittle monoclinic {alpha}'-phase at approximately -120 C (depending on composition). This exothermic transformation involves a 20% volume contraction and a significant increase in resistivity. The reversion of {alpha}' to {delta} involves a large temperature hysteresis beginning just above room temperature. In an attempt to better understand the underlying thermodynamics and kinetics responsible for these unusual features, we examined the {delta}/{alpha}' transformations in a 0.6 wt% Pu-Ga alloy using differential scanning calorimetry (DSC) and resistometry. Both techniques indicate that the martensite start temperature is -120 C and the austenite start temperature is 35 C. The heat of transformation is approximately 3 kJ/mole. During the {alpha}' {yields} {delta} reversion, ''spikes'' and ''steps'' are observed in DSC and resistometry scans, respectively. These spikes and steps are periodic, and their periodicity with respect to temperature does not vary with heating rate. With an appropriate annealing cycle, including a ''rest'' at room temperature, these spikes and steps can be reproduced through many thermal cycles of a single sample.

A promising alternative to direct disposal is to process the commercial spent nuclear fuel into key partitions permitting recovery of some of the energy value while providing vital flexibility to the operation of a repository in a manner to minimize and possibly defer the near-term need for future repositories. It is assumed that such a Spent Fuel Treatment Facility (SFTF) will provide significant benefit to the US nuclear waste program and this paper focuses on key options for deployment of such a facility. The SFTF would partition the spent fuel into manageable components that could be recovered, recycled, or dispositioned as economically beneficial to the overall fuel cycle and/or enhances the repository performance. The goal of the SFTF is to reduce the high level waste volume going to a repository, provide for more effective heat management, enhance the containment performance of the specific waste forms, and provide for energy recovery or transmutation as practical.

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The finite element method has been routinely used to calculate the image stresses of dislocation segments. When these segments intersect with surfaces, the image stresses at the surfaces diverges singularly. At the presence of these singularities, both convergence and accuracy of using the finite element method need to be examined critically. This article addresses these issues with the aim toward the application of dislocation dynamics simulations in thin films.

Researchers at the Department of Energy's Savannah River Technology Center are using advanced microscopy techniques to understand the effects of trace organic chemical additions on nuclear waste slurry flow properties. Trace organic chemicals, surfactants (rheology modifiers), are being used in all types of industries to modify the flow properties of various commercial chemicals. Nuclear waste treatment at the Department of Energy's weapons production facilities, Savannah River Site and Hanford Reservation, is limited by the viscosity of the nuclear waste slurries as the material is processed through a variety of waste treatment and immobilization processes. The picture was taken using a laser scanning confocal microscope.

C-terminal peptide thioesters are key intermediates for the synthesis/semisynthesis of proteins and for the production of cyclic peptides by native chemical ligation. They can be synthetically prepared by solid-phase peptide synthesis (SPPS) methods or biosynthetically by protein splicing techniques. Until recently, the chemical synthesis of C-terminal a-thioester peptides by SPPS was largely restricted to the Boc/Benzyl methodology because of the poor stability of the thioester bond to the basic conditions employed for the deprotection of the N{sup {alpha}}-Fmoc group. In the present work, we describe a new method for the SPPS of C-terminal thioesters by Fmoc/t-Bu chemistry. This method is based on the use of an aryl hydrazide linker, which is totally stable to the Fmoc-SPPS conditions. Once the peptide synthesis has been completed, activation of the linker can be achieved by mild oxidation. This step transforms the hydrazide group into a highly reactive diazene intermediate which can react with different H-AA-SEt to yield the corresponding {alpha}-thioester peptide in good yields. This method has been successfully used for the generation of different thioester peptides, circular peptides and a fully functional SH3 protein domain.

One of the proposed options to increase the LHC luminosity is the replacement of the existing inner triplets at the Interaction Regions with new low-beta larger aperture quadrupoles operating at the same gradient. Lawrence Berkeley National Laboratory (LBNL) is carrying out preliminary studies of a large-bore Nb{sub 3}Sn quadrupole. The mechanical design presents a support structure based on the use of keys and bladders without self-supporting collars. This technology has been proven effective in several successful common coil Nb{sub 3}Sn dipoles built at LBNL, and it is for the first time applied to a cos(2{var_theta}) design. In this paper we present a detailed analysis of the quadrupole mechanical behavior, demonstrating the possibility of delivering, through this method, well-controlled coil precompression during assembly, cool-down and excitation. The study has been performed with the finite element program ANSYS.