We investigate the evolution of structures that result when spherical Cd nanoparticles of a few hundred nanometers in diameter react with dissolved molecular sulfur species in solution to form hollow CdS. Over a wide range of temperatures and concentrations, we find that rapid Cd diffusion through the growing CdS shell localizes the reaction front at the outermost CdS/S interface, leading to hollow particles when all the Cd is consumed. When we examine partially reacted particles, we find that this system differs significantly from others in which the nanoscale Kirkendall effect has been used to create hollow particles. In previously reported systems, partial reaction creates a hollow particle with a spherically symmetric metal core connected to the outer shell by filaments. In contrast, here we obtain a lower symmetry structure, in which the unreacted metal core and the coalesced vacancies separate into two distinct spherical caps, minimizing the metal/void interface. This pattern of void coalescence is likely to occur in situations where the metal/vacancy self-diffusivities in the core are greater than the diffusivity of the cations through the shell.

We present an update of our results for the electron-cloud build-up for several upgrades proposed for the LHC injectors. Specifically, we have re-examined our published results for the ecloud heat load [1] from the perspective of numerical convergence of the simulations vis-a-vis the integration time step {Delta}t. We repeated most of the simulations with ever smaller values of {Delta}t until we reached stable results, indicating numerical convergence; this was achieved at 200-500 slices per bunch, depending on the particular case. In all cases examined, the simulated heat load decreases monotonically, until the limit is reached, as {Delta}t decreases in the range explored, hence the stable results are more favorable vis-a-vis the heat load than the previous ones. This is particularly true for a bunch spacing t{sub b} = 25 ns.

We propose an importance truncation scheme for the no-core shell model, which enables converged calculations for nuclei well beyond the p-shell. It is based on an a priori measure for the importance of individual basis states constructed by means of many-body perturbation theory. Only the physically relevant states of the no-core model space are considered, which leads to a dramatic reduction of the basis dimension. We analyze the validity and efficiency of this truncation scheme using different realistic nucleon-nucleon interactions and compare to conventional no-core shell model calculations for {sup 4}He and {sup 16}O. Then, we present the first converged calculations for the ground state of {sup 40}Ca within no-core model spaces including up to 16{h_bar}{Omega}-excitations using realistic low-momentum interactions. The scheme is universal and can be easily applied to other quantum many-body problems.

The interactions of charged particles in a plasma are in a plasma is governed by the long-range Coulomb collision. We compare two widely used Monte Carlo models for Coulomb collisions. One was developed by Takizuka and Abe in 1977, the other was developed by Nanbu in 1997. We perform deterministic and stochastic error analysis with respect to particle number and time step. The two models produce similar stochastic errors, but Nanbu's model gives smaller time step errors. Error comparisons between these two methods are presented.

In many urban areas, pavements and roofs constitute over 60% of urban surfaces (roof 20-25%, pavements about 40%). The roof and the pavement albedo can be increased by about 0.25 and 0.10, respectively, resulting in a net albedo increase for urban areas of about 0.1. Many studies have demonstrated building cooling-energy savings in excess of 20% upon raising roof reflectivity from an existing 10-20% to about 60%. We estimate U.S. potential savings in excess of $1 billion (B) per year in net annual energy bills. Increasing albedo of urban surfaces can reduce the summertime urban temperature and improve the urban air quality. Increasing the urban albedo has the added benefit of reflecting more of the incoming global solar radiation and countering the effect of global warming. We estimate that increasing albedo of urban areas by 0.1 results in an increase of 3 x 10{sup -4} in Earth albedo. Using a simple global model, the change in air temperature in lowest 1.8 km of the atmosphere is estimated at 0.01K. Modelers predict a warming of about 3K in the next 60 years (0.05K/year). Change of 0.1 in urban albedo will result in 0.01K global cooling, a delay of {approx}0.2 years in …

Highly enantioselective catalytic intramolecular ortho-alkylation of aromatic imines containing alkenyl groups tethered at the meta position relative to the imine directing group has been achieved using [RhCl(coe){sub 2}]{sub 2} and chiral phosphoramidite ligands. Cyclization of substrates containing 1,1- and 1,2-disubstituted as well as trisubstituted alkenes were achieved with enantioselectivities >90% ee for each substrate class. Cyclization of substrates with Z-alkene isomers proceeded much more efficiently than substrates with E-alkene isomers. This further enabled the highly stereoselective intramolecular alkylation of certain substrates containing Z/E-alkene mixtures via a Rh-catalyzed alkene isomerization with preferential cyclization of the Z-isomer.

This paper presents a plan for increasing the mapped resource base for geothermal exploration in the Western US. We plan to image large areas in the western US with recently developed high resolution hyperspectral geobotanical remote sensing tools. The proposed imaging systems have the ability to map visible faults, surface effluents, historical signatures, and discover subtle hidden faults and hidden thermal systems. Large regions can be imaged at reasonable costs. The technique of geobotanical remote sensing for geothermal signatures is based on recent successes in mapping faults and effluents the Long Valley Caldera and Mammoth Mountain in California.

Insulated pressure vessels are cryogenic-capable pressure vessels that can be fueled with liquid hydrogen or ambient-temperature compressed hydrogen. This flexibility results in multiple advantages with respect to compressed hydrogen tanks or low-pressure liquid hydrogen tanks. Our work is directed at verifying that commercially available aluminum-lined, fiber-wrapped pressure vessels can be safely used to store liquid hydrogen. A series of tests have been conducted, and the results indicate that no significant vessel damage has resulted from cryogenic operation. Future activities include a demonstration project in which the insulated pressure vessels will be installed and tested on two vehicles. A draft standard will also be generated for certification of insulated pressure vessels.

Here we examine Fe speciation within Fe-encrusted biofilms formed during 2-month seafloor incubations of sulfide mineral assemblages at the Main Endeavor Segment of the Juan de Fuca Ridge. The biofilms were distributed heterogeneously across the surface of the incubated sulfide and composed primarily of particles with a twisted stalk morphology resembling those produced by some aerobic Fe-oxidizing microorganisms. Our objectives were to determine the form of biofilm-associated Fe, and identify the sulfide minerals associated with microbial growth. We used micro-focused synchrotron-radiation X-ray fluorescence mapping (mu XRF), X-ray absorption spectroscopy (mu EXAFS), and X-ray diffraction (mu XRD) in conjunction with focused ion beam (FIB) sectioning, and highresolution transmission electron microscopy (HRTEM). The chemical and mineralogical composition of an Fe-encrusted biofilm was queried at different spatial scales, and the spatial relationship between primary sulfide and secondary oxyhydroxide minerals was resolved. The Fe-encrusted biofilms formed preferentially at pyrrhotite-rich (Fe1-xS, 0<_ x<_ 0.2) regions of the incubated chimney sulfide. At the nanometer spatial scale, particles within the biofilm exhibiting lattice fringing and diffraction patterns consistent with 2-line ferrihydrite were identified infrequently. At the micron spatial scale, Fe mu EXAFS spectroscopy and mu XRD measurements indicate that the dominant form of biofilm Fe is a …

Bacterial community succession was investigated in a field-scale subsurface reactor formed by a series of wells that received weekly ethanol additions to re-circulating groundwater. Ethanol additions stimulated denitrification, metal reduction, sulfate reduction, and U(VI) reduction to sparingly soluble U(IV). Clone libraries of SSU rRNA gene sequences from groundwater samples enabled tracking of spatial and temporal changes over a 1.5 y period. Analyses showed that the communities changed in a manner consistent with geochemical variations that occurred along temporal and spatial scales. Canonical correspondence analysis revealed that the levels of nitrate, uranium, sulfide, sulfate, and ethanol strongly correlated with particular bacterial populations. As sulfate and U(VI) levels declined, sequences representative of sulfate-reducers and metal-reducers were detected at high levels. Ultimately, sequences associated with sulfate-reducing populations predominated, and sulfate levels declined as U(VI) remained at low levels. When engineering controls were compared to the population variation via canonical ordination, changes could be related to dissolved oxygen control and ethanol addition. The data also indicated that the indigenous populations responded differently to stimulation for bio-reduction; however, the two bio-stimulated communities became more similar after different transitions in an idiosyncratic manner. The strong associations between particular environmental variables and certain populations provide insight into …

We report on the first search for extraterrestrial neutrino-induced cascades in IceCube.The analyzed data were collected in the year 2007 when 22 detector strings were installed and operated. We will discuss the analysis methods used to reconstruct cascades and to suppress backgrounds. Simulated neutrino signal events with a E-2 energy spectrum, which pass the background rejection criteria, are reconstructed with a resolution Delta(log E) ~;; 0.27 in the energy range from ~;; 20 TeV to a few PeV. We present the range of the diffuse flux of extra-terrestrial neutrinos in the cascade channel in IceCube within which we expect to be able to put a limit.

We develop a multiscale simulation method for dense granular drainage, based on the recently proposed spot model, where the particle packing flows by local collective displacements in response to diffusing"spots'" of interstitial free volume. By comparing with discrete-element method (DEM) simulations of 55,000 spheres in a rectangular silo, we show that the spot simulation is able to approximately capture many features of drainage, such as packing statistics, particle mixing, and flow profiles. The spot simulation runs two to three orders of magnitude faster than DEM, making it an appropriate method for real-time control or optimization. We demonstrateextensions for modeling particle heaping and avalanching at the free surface, and for simulating the boundary layers of slower flow near walls. We show that the spot simulations are robust and flexible, by demonstrating that they can be used in both event-driven and fixed timestep approaches, and showing that the elastic relaxation step used in the model can be applied much less frequently and still create good results.

The axoneme, which forms the core of eukaryotic flagella and cilia, is one of the largest macromolecular machines with a structure that is largely conserved from protists to mammals. Microtubule doublets are structural components of axonemes containing a number of proteins besides tubulin, and are usually found in arrays of nine doublets arranged around two singlet microtubules. Coordinated sliding of adjacent doublets, which involves a host of other proteins in the axoneme, produces periodic beating movements of the axoneme. We have obtained a 3D density map of intact microtubule doublets using cryo-electron tomography and image averaging. Our map, with a resolution of about 3 nm, provides insights into locations of particular proteins within the doublets and the structural features of the doublets that define their mechanical properties. We identify likely candidates for several of these non-tubulin components of the doublets. This work offers novel insight on how tubulin protofilaments and accessory proteins attach together to form the doublets and provides a structural basis for understanding doublet function in axonemes.

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Single crystalline copper was subjected to quasi-isentropic compression via gas-gun and laser loading at pressures between 18 GPa and 59 GPa. The deformation substructure was analyzed via transmission electron microscopy (TEM). Twins and laths were evident at the highest pressures, and stacking faults and dislocation cells in the intermediate and lowest pressures, respectively. The Preston-Tonks-Wallace (PTW) constitutive description was used to model the slip-twinning process in both cases.

This document presents the recent studies of Charmed hadrons at BABAR BELLE and CLEO. Here the author focuses on the recent developments on the study of D*{sub sJ}, observation of D{sup +} {yields} K{sup +} {pi}{sup 0}, D{sup 0} - {bar D}{sup 0} mixing in the doubly cabibbo-suppressed decays using D{sup 0} {yields} K{sup +}{pi}{sup +}{pi}{sup 0} and the measurement of the decay constants using the leptonic D decays.

LLNL has successfully fabricated small (1.5 cm{sup 2} area) germanium immersion gratings. We studied the feasibility of producing a large germanium immersion grating by means of single point diamond flycutting. Our baseline design is a 63.4o blaze echelle with a 6 cm beam diameter. Birefringence and refractive index inhomogeneity due to stresses produced by the crystal growth process are of concern. Careful selection of the grating blank and possibly additional annealing to relieve stress will be required. The Large Optics Diamond Turning Machine (LODTM) at LLNL is a good choice for the fabrication. It can handle parts up to 1.5 meter in diameter and 0.5 meter in length and is capable of a surface figure accuracy of better than 28 nm rms. We will describe the machine modifications and the machining process for a large grating. A next generation machine, the Precision Optical Grinder and Lathe (POGAL), currently under development has tighter specifications and could produce large gratings with higher precision.

This work details the stab ignition, small-scale safety, and energy release characteristics of bimetallic Al/Ni(V) and Al/Monel energetic nanolaminate freestanding thin films. The influence of the engineered nanostructural features of the energetic multilayers is correlated with both stab initiation and small-scale energetic materials testing results. Structural parameters of the energetic thin films found to be important include the bi-layer period, total thickness of the film, and presence or absence of aluminum coating layers. In general the most sensitive nanolaminates were those that were relatively thick, possessed fine bi-layer periods, and were not coated. Energetic nanolaminates were tested for their stab sensitivity as freestanding continuous parts and as coarse powders. The stab sensitivity of mock M55 detonators loaded with energetic nanolaminate was found to depend strongly upon both the particle size of the material and the configuration of nanolaminate material, in the detonator cup. In these instances stab ignition was observed with input energies as low as 5 mJ for a coarse powder with an average particle dimension of 400 {micro}m. Selected experiments indicate that the reacting nanolaminate can be used to ignite other energetic materials such as sol-gel nanostructured thermite, and conventional thermite that was either coated onto the multilayer …

The resistance of Alloy 22 (N06022) to localized corrosion, mainly crevice corrosion, has been extensively investigated in the last few years. The effect of influencing variables such as temperature, applied potential, chloride concentration and nitrate inhibitor concentration have been addressed previously. At this time, it was important to address the effect an oxide film or scale that forms during the high temperature annealing process or solution heat treatment (SHT) and its subsequent water quenching. Electrochemical tests such as cyclic potentiodynamic polarization (CPP) have been carried out to determine the repassivation potential for localized corrosion and to assess the mode of attack on the specimens. Tests have been carried out in parallel using mill annealed (MA) specimens free from oxide on the surface. The comparative testing was carried out in six different electrolyte solutions at temperatures ranging from 60 C to 100 C. Results show that the repassivation potential of the specimens containing the black anneal oxide film on the surface was practically the same or higher as the repassivation potential for oxide-free specimens.

Numerical simulations of electron temperature gradient (ETG) turbulence are presented which characterize the ETG fluctuation spectrum, establish limits to the validity of the adiabatic ion model often employed in studying ETG turbulence, and support the tentative conclusion that plasmaoperating regimes exist in which ETG turbulence produces sufficient electron heat transport to be experimentally relevant. We resolve prior controversies regarding simulation techniques and convergence by benchmarking simulations of ETG turbulence from four microturbulence codes, demonstrating agreement on the electron heat flux, correlation functions, fluctuation intensity, and rms flow shear at fixed simulation cross section and resolution in the plane perpendicular to the magnetic field. Excellent convergence of both continuum and particle-in-cell codes with time step and velocity-space resolution is demonstrated, while numerical issues relating to perpendicular (to the magnetic field) simulation dimensions and resolution are discussed. A parameter scan in the magnetic shear, s, demonstrates that the adiabatic ion model is valid at small values of s (s < 0.4 for the parameters used in this scan) but breaks down at higher magnetic shear. A proper treatment employing gyrokinetic ions reveals a steady increase in the electron heat transport with increasing magnetic shear, reaching electron heat transport rates consistent with analyses …

The validity of the Surrogate Ratio method for determining (n,f) cross sections for actinide nuclei is examined. This method relates the ratio of two compound-nucleus reaction cross sections to a ratio of coincidence events from two measurements in which the same compound nuclei are formed via a direct reaction. With certain assumptions, the method allows one of the cross sections to be inferred if the other is known. We develop a nuclear reaction-model simulation to investigate whether the assumptions underlying the Ratio approach are valid and employ these simulations to assess whether the cross sections obtained indirectly by applying a Ratio analysis agree with the expected results. In particular, we simulate Surrogate experiments that allow us to determine fission cross sections for selected actinide nuclei. The nuclei studied, {sup 233}U and {sup 235}U, are very similar to those considered in recent Surrogate experiments. We find that in favorable cases the Ratio method provides useful estimates of the desired cross sections, and we discuss some of the limitations of the approach.

Building 247-F at SRS was a roughly 110,000 ft{sup 2} two-story facility designed and constructed during the height of the cold war naval buildup to provide additional naval nuclear fuel manufacturing capacity in early 1980s. The building layout is shown in Fig. 1. A photograph of the facility is shown in Fig. 2. The manufacturing process employed a wide variety of acids, bases, and other hazardous materials. As the cold war wound down, the need for naval fuel declined. Consequently, the facility was shut down and underwent initial deactivation. All process systems were flushed with water and drained using the existing process drain valves. However, since these drains were not always installed at the lowest point in piping and equipment systems, a significant volume of liquid remained after initial deactivation was completed in 1990. At that time, a non-destructive assay of the process area identified approximately 17 (+/- 100%) kg of uranium held up in equipment and piping.

The Source Injector Program for the US Heavy Ion Fusion Virtual National Laboratory is currently exploring the feasibility of using RF gas plasma sources for a HIF driver. This source technology is presently the leading candidate for the multiple aperture concept, in which bright millimeter size beamlets are extracted and accelerated electrostatically up to 1 MeV before the beamlets are allowed to merge and form 1 A beams. Initial experiments have successfully demonstrated simultaneously high current density, {approx} 100 mA/cm{sup 2} and fast turn on, {approx} 1 {micro}s. These experiments were also used to explore operating ranges for pressure and RF power. Results from these experiments are presented as well as progress and plans for the next set of experiments for these sources.

Highly saline and caustic tank waste solutions containing radionuclides and toxic metals have leaked into sediments at U. S. Department of Energy (DOE) facilities such as the Hanford Site (Washington State). Colloid transport is frequently invoked to explain migration of radionuclides and metals in the subsurface. To understand colloid formation during interactions between highly reactive fluids and sediments and its impact on contaminant transport, we simulated tank waste solution (TWS) leakage processes in laboratory columns at ambient and elevated (70 C) temperatures. We found that maximum formation of mobile colloids occurred at the plume fronts (hundreds to thousands times higher than within the plume bodies or during later leaching). Concentrations of suspended solids were as high as 3 mass%, and their particle-sizes ranged from tens of nm to a few {micro}m. Colloid chemical composition and mineralogy depended on temperature. During infiltration of the leaked high Na{sup +} waste solution, rapid and completed Na{sup +} replacement of exchangeable Ca{sup 2+} and Mg{sup 2+} from the sediment caused accumulation of these divalent cations at the moving plume front. Precipitation of supersaturated Ca{sup 2+}/Mg{sup 2+}-bearing minerals caused dramatic pH reduction at the plume front. In turn, the reduced pH caused precipitation of other …