The reshocked single-mode Richtmyer-Meshkov instability is simulated in two spatial dimensions using the fifth- and ninth-order weighted essentially non-oscillatory shock-capturing method with uniform spatial resolution of 256 points per initial perturbation wavelength. The initial conditions and computational domain are modeled after the single-mode, Mach 1.21 air(acetone)/SF{sub 6} shock tube experiment of Collins and Jacobs [J. Fluid Mech. 464, 113 (2002)]. The simulation densities are shown to be in very good agreement with the corrected experimental planar laser-induced fluorescence images at selected times before reshock of the evolving interface. Analytical, semianalytical and phenomenological linear and nonlinear, impulsive, perturbation and potential flow models for single-mode Richtmyer-Meshkov unstable perturbation growth are summarized. The simulation amplitudes are shown to be in very good agreement with the experimental data and with the predictions of linear amplitude growth models for small times and with those of nonlinear amplitude growth models at later times up to the time at which the driver-based expansion in the experiment (but not present in the simulations or models) expands the layer before reshock. The qualitative and quantitative differences between the fifth- and ninth-order simulation results are discussed. Using a local and global quantitative metric, the prediction of the Zhang and Sohn …

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We outline a method to study the spatial and orientation statistics of dynamical dislocation systems by modeling the dislocations as a stochastic fiber process. Statistical measures have been introduced for the density, velocity, and flux of dislocations, and the connection between these measures and the dislocation state and plastic distortion rate in the crystal is explained. A dislocation dynamics simulation model has been used to extract numerical data to study the evolution of these statistical measures numerically in a body-centered cubic crystal under deformation. The orientation distribution of the dislocation density, velocity and dislocation flux, as well as the dislocation correlations have been computed. The importance of the statistical measures introduced here in building continuum models of dislocation systems is highlighted.

Experiments planned to address the issue of electron correlation in the Pu 5f states are described herein. The key is the utilization of the Fano Effect, the observation of spin polarization in nonmagnetic systems, using chiral excitation such as circularly polarized X-rays.

In contrast to polyvalent metals, transition metals have low melting slopes(dT/dP) that are due to partially filled d-bands that allow for a lowering of liquid phase energy through s-d electron transfer and the formation of local structures. In the case of bcc transition metals we show the apparent discrepancy of DAC melting measurements with shock melting of Mo can be understood by reexamining the shock data for V and Ta and introducing the presence of an icosahedral short range order (ISRO) melt phase.

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We present a performance model to analyze a parallel sparseLU factorization algorithm on modern cached-based, high-end parallelarchitectures. Our model characterizes the algorithmic behavior bytakingaccount the underlying processor speed, memory system performance, aswell as the interconnect speed. The model is validated using theSuperLU_DIST linear system solver, the sparse matrices from realapplications, and an IBM POWER3 parallel machine. Our modelingmethodology can be easily adapted to study performance of other types ofsparse factorizations, such as Cholesky or QR.

Careful thermometric analysis (TMA) on powders of micron-sized triamino-trinitrobenzene (TATB) crystallites are shown to display irreversible growth in volume when subjected to repeated cycles of heating and cooling. Such behavior is counter-intuitive to typical materials response to simulated annealing cycles in atomic-scale molecular dynamics. However, through coarse-grained simulations using a mesoscale Hamiltonian we quantitatively reproduce irreversible growth behavior in such powdered material. We demonstrate that irreversible growth happens only in the presence of intrinsic crystalline anisotropy, and is mediated by particles much smaller than the average crystallite size.

Actinide metallurgy, crystallography, physics, and chemistry are of great interest due to the unique behavior of the 5f states that dominate the electronic structure. The 5f states produce a wide range of fascinating behaviors in the actinide materials. from superconductivity to exotic magnetism. Accordingly, they are of great interest, but are difficult to work with. Transmission electron microscopy (TEM) can overcome many of the problems of working with actinide materials and can be used to interrogate the atomic and electronic structure of actinide materials. We will cover our capabilities at LLNL: Sample preparation; TEM techniques; and in situ capabilities.

A major concern for large tokamaks like ITER is the presence of edge localized modes (ELMs) that repeatedly send large bursts of particles and heat into the divertor plates. Operation with resonant magnetic perturbations (RMP) at the boundary of DIII=D has suppressed ELMs for values of q95 {approx} 3.7. At the target plate, the conditions during ELM suppressed operation for both high and low collisionality are observed by a set of radially distributed Langmuir probes. At high collisionality (n*{approx}1), the target plate particle flux and temperature drops by > 30% during ELM suppression. At low collisionality (n*{approx}0.1), the core density, target plate density, and target plate particle flux drop but the plate electron temperature increases after the ELMs are suppressed. The ELM-suppressed target plate heat flux is nearly the same as the heat flux between ELMs but the (5X higher) transient heat flux peaks due to ELMs are eliminated.

A numerical field line integration code is used to study the structure of divertor footprints produced by small non-axisymmetric magnetic perturbation in the DIII-D tokamak. The numerical modeling results are compared to experimental infrared camera data which show a splitting of the divertor target plate heat flux into several distinct peaks when an n=3 magnetic perturbation from the DIII-D I-coil is applied. The heat flux splitting consistently appears when the n=3 perturbation is applied and disappears when the perturbation is removed. The magnitude of the splitting implied by the numerical modeling is a factor of 3 smaller than the splitting seen in the experimental data. These results suggest that the plasma response to the edge resonant applied n=3 magnetic perturbation produces an amplification of the vacuum magnetic footprint structure on the divertor target plates. These results may have significant implications for the ITER divertor design.

Knowledge of the thermophysical properties of materials at extreme pressure and temperature conditions is essential for improving our understanding of many planetary and detonation processes. Significant gaps in what is known about the behavior of materials at high density and high temperature exist, largely due to the limitations and dangers of performing experiments at the necessary extreme conditions. Modeling these systems through the use of equations of state and particle-based simulation methods significantly extends the range of pressures and temperatures that can be safely studied. The reliability of such calculations depends on the accuracy of the models used. Here we present an assessment of the united-atom version of the TraPPE (Transferable Potentials for Phase Equilibria) force field and single-site exp-6 representations for methane, methanol, oxygen, and ammonia at extreme conditions. As shown by Monte Carlo simulations in the isobaric-isothermal ensemble, the TraPPE models, despite being parameterized to the vapor-liquid coexistence curve (i.e. relatively mild conditions), perform remarkably well in the high pressure/high temperature regime. The single-site exp-6 models can fit experimental data in the high pressure/temperature regime very well, but the parameters are less transferable to ambient conditions.

We use TOUGH+/GasH2O to study the effects of a heat sourceburied in the Martian permafrost to evaluate the possibility ofestablishing a wet zone of liquid water, in which terrestrialmicroorganisms could survive and multiply. Analysis of the problemindicates that (1) only a limited permafrost volume (not exceeding 0.35 min radius) is affected, (2) a "wet" zone with limited amounts of liquidwater de-velops (not exceeding 8 and 0.7 kg for a 250 W and a 62.5 Wsource, respectively), (3) the wet zone per-sists for a long time,becomes practically stationary after t = 20 sols because of venting intothe Martian atmosphere, and its thickness is limited and decreases slowlyover time, (4) a "dry" zone (where SG>0.9) evolves, continues toexpand (albeit slowly) with time, but its extent remains limited, and (5)the ice front surrounding the wet zone is self-sharpening. For a range ofinitial conditions investigated, evolution of the liquid water massoccurs at approximately the same rate, reaches roughly the same maximum,and occurs at about the same time (10 to 20 sols; 1 sol = 24.39hours).

As a market segment for solar photovoltaic (PV) adoption, new homes have a number of attractive attributes. Homebuyers can easily roll the cost of the PV system into their mortgage and, with rebates or other financial incentives, potentially realize an immediate net positive cash flow from the investment. PV system performance can be optimized by taking roof orientation, shading, and other structural factors into account in the design of new homes. Building-integrated photovoltaics (BIPV), which are subject to fewer aesthetic concerns than traditional, rack-mounted systems, are well-suited to new construction applications. In large new residential developments, costs can be reduced through bulk purchases and scale economies in system design and installation. Finally, the ability to install PV as a standard feature in new developments - like common household appliances - creates an opportunity to circumvent the high transaction costs and other barriers typically confronted when each individual homeowner must make a distinct PV purchase decision.

Measurements in DIII-D show that the carbon chemical sputtering sources along the inner divertor and center post are toroidally periodic and highest at the upstream tile edge. Imaging with a tangentially viewing camera and visible spectroscopy were used to monitor the emission from molecular hydrocarbons (CH/CD) at 430.8 nm and deuterium neutrals in attached and partially detached divertors of low-confinement mode plasmas. In contrast to the toroidally periodic CD distribution, emission from deuterium neutrals was observed to be toroidally symmetric along the inner strike zone. The toroidal distribution of the measured tile surface temperature in the inner divertor correlates with that of the CD emission, suggesting larger parallel particle and heat fluxes to the upstream tile edge, either due to toroidal tile gaps or height steps between adjacent tiles.

The Large Synoptic Survey Telescope (LSST) is a three mirror modified Paul-Baker design with an 8.4m primary, a 3.4m secondary, and a 5.0m tertiary followed by a 3-element refractive corrector producing a 3.5 degree field of view. This design produces image diameters of <0.3 arcsecond 80% encircled energy over its full field of view. The image quality of this design is sufficient to ensure that the final images produced by the telescope will be limited by the atmospheric seeing at an excellent astronomical site. In order to maintain this image quality, the deformations and rigid body motions of the three large mirrors must be actively controlled to minimize optical aberrations. By measuring the optical wavefront produced by the telescope at multiple points in the field, mirror deformations and rigid body motions that produce a good optical wavefront across the entire field may be determined. We will describe the details of the techniques for obtaining these solutions. We will show that, for the expected mirror deformations and rigid body misalignments, the solutions that are found using these techniques produce an image quality over the field that is close to optimal. We will discuss how many wavefront sensors are needed and the …

Protein conformational changes due to cofactor binding (e.g. metal ions, heme) and/or posttranslational modifications (e.g. phosphorylation) modulate dynamic protein complexes. Calmodulin (CaM) plays an essential role in regulating calcium (Ca{sup 2+}) signaling and homeostasis. No systematic approach on the identification of phosphorylation-dependent Ca{sup 2+}/CaM binding proteins has been published. Herein, we report a proteome-wide study of phosphorylation-dependent CaM binding proteins from mammalian cells. This method, termed 'Dynamic Phosphoprotein Complex Trapping', 'DPPC Trapping' for short, utilizes a combination of in vivo and in vitro assays. The basic strategy is to drastically shift the equilibrium towards endogenous phosphorylation of Ser, Thr, and Tyr at the global scale by inhibiting corresponding phosphatases in vivo. The phosphorylation-dependent calmodulin-binding proteins are then trapped in vitro in a Ca{sup 2+}-dependent manner by CaM-Sepharose chromatography. Finally, the isolated calmodulin-binding proteins are separated by SDS-PAGE and identified by LC/MS/MS. In parallel, the phosphorylation-dependent binding is visualized by silver staining and/or Western blotting. Using this method, we selectively identified over 120 CaM-associated proteins including many previously uncharacterized. We verified ubiquitin-protein ligase EDD1, inositol 1, 4, 5-triphosphate receptor type 1 (IP{sub 3}R1), and ATP-dependent RNA helicase DEAD box protein 3 (DDX3), as phosphorylation-dependent CaM binding proteins. To demonstrate the utilities …

We describe charge-coupled device (CCD) developmentactivities at the Lawrence Berkeley National Laboratory (LBNL).Back-illuminated CCDs fabricated on 200-300 mu m thick, fully depleted,high-resistivity silicon substrates are produced in partnership with acommercial CCD foundry.The CCDs are fully depleted by the application ofa substrate bias voltage. Spatial resolution considerations requireoperation of thick, fully depleted CCDs at high substrate bias voltages.We have developed CCDs that are compatible with substrate bias voltagesof at least 200V. This improves spatial resolution for a given thickness,and allows for full depletion of thicker CCDs than previously considered.We have demonstrated full depletion of 650-675 mu m thick CCDs, withpotential applications in direct x-ray detection. In this work we discussthe issues related to high-voltage operation of fully depleted CCDs, aswell as experimental results on high-voltage-compatible CCDs.

We present two high bandwidth data transmission and recording systems for the measurement of transient signals during pulsed power and laser produced plasmas. These systems use fiber optic cables to transmit analog data over long distances to high bandwidth digitizing oscilloscopes. One system is based on the direct modulation of a laser diode and has a bandwidth of 1.5 GHz. The other system is based upon a fiber-optic Mach-Zehnder modulator and has a bandwidth of 12 GHz, and is limited by the photo receiver. The signals are recorded on commercial digitizing oscilloscopes that have approximately 6 effective bits. The transmission systems use many off-the-shelf components from the telecommunications industry and thus have a high reliability and a moderate cost. Results from recent measurements will be presented. Investigation of the reduction in optical transmission by the fibers during exposure to high dose radiation will also be discussed.

The compression of a laser pulse by amplification of an ultra short pulse beam Which seeds the stimulated Raman scatter of the first beam has been long been discussed in the context of solid and gas media. We investigate the possibility of using intersecting beams in a plasma to compress nanosecond pulses to picosecond duration by scattering from driven electron waves. Recent theoretical studies have shown the possibility of efficient compression With large amplitude, non-linear Langmuir waves driven either by SRS or non-resonantly. We describe experiments in which a plasma suitable for pulse compression is created , and amplification of an ultra short pulse beam is demonstrated.

We present the results of ab initio calculations for elasticelectron scattering by tetrahydrofuran (THF) using the complex Kohnvariational method. We carried out fixed-nuclei calculations at theequilibrium geometry of the target molecule for incident electronenergies up to 20 eV. The calculated momentum transfer cross sectionsclearly reveal the presence of broad shape resonance behavior in the 8-10eV energy range, in agreement with recent experiments. The calculateddifferential cross sections at 20 eV, which include the effects of thelong-range electron-dipole interaction, are alsofound to be in agreementwith the most recent experimental findings.

We present a new technique to accelerate the convergence of the folded spectrum method in empirical pseudopotential band edge state calculations for colloidal quantum dots. We use bulk band states of the materials constituent of the quantum dot to construct initial vectors and a preconditioner. We apply these to accelerate the convergence of the folded spectrum method for the interior states at the top of the valence and the bottom of the conduction band. For large CdSe quantum dots, the number of iteration steps until convergence decreases by about a factor of 4 compared to previous calculations.

Quantum molecular dynamic simulations were used to examine the change in atomic and electronic structure in liquid rubidium along its liquid-vapor coexistence curve. Starting from the liquid at the triple point, with increasing expansion we observe a continuous increase in the electron localization leading to ion clustering near the metal-nonmetal transition at about twice the critical density, in agreement with electrical measurements, and to the presence of dimers near and below the critical density.