An RF power balance method is used to measure the synchrotron radiation losses and the wake field losses. We present the history of the losses in the Low Energy Ring (LER) and the High Energy Ring (HER) during the last several runs of PEP-II.

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X-ray absorption near-edge structure (XANES) and x-ray emission spectroscopy (XES) measurements were used to investigate the effect of Mg doping in ZnO nanorods. The intensities of the features in the O K-edge XANES spectra of Zn{sub 1-x}Mg{sub x}O nanorods are lower than those of pure ZnO nanorods, suggesting that Mg doping increases the negative effective charge of O ions. XES and XANES spectra of O 2p states indicate that Mg doping raises (lowers) the conduction-band-minimum (valence-band-maximum) and increases the bandgap. The bandgap is found to increase linearly with the Mg content, as revealed by photoluminescence and combined XANES and XES measurements.

We investigate the couplings between different energy band valleys in a MOSFET device using self-consistent calculations of million-atom Schroedinger-Poisson Equations. Atomistic empirical pseudopotentials are used to describe the device Hamiltonian and the underlying bulk band structure. The MOSFET device is under nonequilibrium condition with a source-drain bias up to 2V, and a gate potential close to the threshold potential. We find that all the intervalley couplings are small, with the coupling constants less than 3 meV. As a result, the system eigenstates derived from different bulk valleys can be calculated separately. This will significantly reduce the simulation time, because the diagonalization of the Hamiltonian matrix scales as the third power of the total number of basis functions.

We present a new linearly scaling three-dimensional fragment (LS3DF) method for large scale ab initio electronic structure calculations. LS3DF is based on a divide-and-conquer approach, which incorporates a novel patching scheme that effectively cancels out the artificial boundary effects due to the subdivision of the system. As a consequence, the LS3DF program yields essentially the same results as direct density functional theory (DFT) calculations. The fragments of the LS3DF algorithm can be calculated separately with different groups of processors. This leads to almost perfect parallelization on tens of thousands of processors. After code optimization, we were able to achieve 35.1 Tflop/s, which is 39percent of the theoretical speed on 17,280 Cray XT4 processor cores. Our 13,824-atom ZnTeO alloy calculation runs 400 times faster than a direct DFTcalculation, even presuming that the direct DFT calculation can scale well up to 17,280 processor cores. These results demonstrate the applicability of the LS3DF method to material simulations, the advantage of using linearly scaling algorithms over conventional O(N3) methods, and the potential for petascale computation using the LS3DF method.

The correspondence between theories in anti-de Sitter space and conformal field theories in physical space-time leads to an analytic, semiclassical model for strongly-coupled QCD which has scale invariance at short distances and color confinement at large distances. Light-front holography is a remarkable feature of AdS/CFT: it allows hadronic amplitudes in the AdS fifth dimension to be mapped to frame-independent light-front wavefunctions of hadrons in physical space-time, thus providing a relativistic description of hadrons at the amplitude level. Some novel features of QCD are discussed, including the consequences of confinement for quark and gluon condensates and the behavior of the QCD coupling in the infrared. We suggest that the spatial support of QCD condensates is restricted to the interior of hadrons, since they arise due to the interactions of confined quarks and gluons. Chiral symmetry is thus broken in a limited domain of size 1=m{sub {pi}} in analogy to the limited physical extent of superconductor phases. A new method for computing the hadronization of quark and gluon jets at the amplitude level, an event amplitude generator, is outlined.

The pyridine and quinoline nuclei are privileged scaffolds that occupy a central role in many medicinally relevant compounds. Consequently, methods for their expeditious functionalization are of immediate interest. However, despite the immense importance of transition-metal catalyzed cross-coupling for the functionalization of aromatic scaffolds, general solutions for coupling 2-pyridyl organometallics with aryl halides have only recently been presented. Direct arylation at the ortho position of pyridine would constitute an even more efficient approach because it eliminates the need for the stoichiometric preparation and isolation of 2-pyridyl organometallics. Progress towards this goal has been achieved by activation of the pyridine nucleus for arylation via conversion to the corresponding pyridine N-oxide or N-iminopyridinium ylide. However, this approach necessitates two additional steps: activation of the pyridine or quinoline starting material, and then unmasking the arylated product. The use of pyridines directly would clearly represent the ideal situation both in terms of cost and simplicity. We now wish to document our efforts in this vein, culminating in an operationally simple Rh(I)-catalyzed direct arylation of pyridines and quinolines. We recently developed an electron-rich Rh(I) system for catalytic alkylation at the ortho position of pyridines and quinolines with alkenes. Therefore, we initially focused our attention on the …

In order to efficiently perform particle simulations in systems with widely varying magnetization, we developed a drift-Lorentz mover, which interpolates between full particle dynamics and drift kinetics in such a way as to preserve a physically correct gyroradius and particle drifts for both large and small ratios of the timestep to the cyclotron period. In order to extend applicability of the mover to systems with plasma frequency exceeding the cyclotron frequency such as one may have with fully neutralized drift compression of a heavy-ion beam we have developed an implicit version of the mover. A first step in this direction, in which the polarization charge was added to the field solver, was described previously. Here we describe a fully implicit algorithm (which is analogous to the direct-implicit method for conventionalparticle-in-cell simulation), summarize a stability analysis of it, and describe several tests of the resultant code.

Impedance Noise Identification is an in-situ method of measuring battery impedance as a function of frequency using a random small signal noise excitation source. Through a series of auto- and cross-correlations and Fast Fourier Transforms, the battery complex impedance as a function of frequency can be determined. The results are similar to those measured under a lab-scale electrochemical impedance spectroscopy measurement. The lab-scale measurements have been shown to correlate well with resistance and power data that are typically used to ascertain the remaining life of a battery. To this end, the Impedance Noise Identification system is designed to acquire the same type of data as an on-board tool. A prototype system is now under development, and results are being compared to standardized measurement techniques such as electrochemical impedance spectroscopy. A brief description of the Impedance Noise Identification hardware system and representative test results are presented.

We present a novel collaborative visual analytics application for cognitively overloaded users in the astrophysics domain. The system was developed for scientists needing to analyze heterogeneous, complex data under time pressure, and then make predictions and time-critical decisions rapidly and correctly under a constant influx of changing data. The Sunfall Data Taking system utilizes severalnovel visualization and analysis techniques to enable a team of geographically distributed domain specialists to effectively and remotely maneuver a custom-built instrument under challenging operational conditions. Sunfall Data Taking has been in use for over eighteen months by a major international astrophysics collaboration (the largest data volume supernova search currently in operation), and has substantially improved the operational efficiency of its users. We describe the system design process by an interdisciplinary team, the system architecture, and the results of an informal usability evaluation of the production system by domain experts in the context of Endsley?s three levels of situation awareness.

The LBNL 88-Inch Cyclotron offers broad-spectrum neutrons for single event effects testing. We discuss results from this beamline for neutron soft upsets in Xilinx Virtex-4 and -5 field-programmable-gate-array (FPGA) devices.

The electronic structure of multiferroic BiFeO{sub 3} has been studied using soft-X-ray emission spectroscopy. The fluorescence spectra exhibit that the valence band is mainly composed of O 2p state hybridized with Fe 3d state. The band gap corresponding to the energy separation between the top of the O 2p valence band and the bottom of the Fe 3d conduction band is 1.3 eV. The soft-X-ray Raman scattering reflects the features due to charge transfer transition from O 2p valence band to Fe 3d conduction band. These findings are similar to the result of electronic structure calculation by density functional theory within the local spin-density approximation that included the effect of Coulomb repulsion between localized d states.

This paper is about producing hydrogen through the electrolysis of water and using the hydrogen in a fuel cell or internal combustion engine generator to produce electricity during times of peak demand, or as a transportation fuel.

We present a study of the decay B{sup -} {yields} D{sub (CP)}{sup 0}K{sup -} and its charge conjugate, where D{sub (CP)}{sup 0} is reconstructed in both a non-CP flavor eigenstate and in CP (CP-even and CP-odd) eigenstates, based on a sample of 382 million {Upsilon}(4S) {yields} B{bar B} decays collected with the BABAR detector at the PEP-II e{sup +}e{sup -} storage ring. We measure the direct CP asymmetries A{sub CP{+-}} and the ratios of the branching fractions R{sub CP{+-}}: A{sub CP+} = 0.27 {+-} 0.09(stat) {+-} 0.04(syst), A{sub CP-} = -0.09 {+-} 0.09(stat) {+-} 0.02(syst), R{sub CP+} = 1.06 {+-} 0.10(stat) {+-} 0.05(syst), R{sub CP-} = 1.03 {+-} 0.10(stat) {+-} 0.05(syst). These results will help to better constrain the gamma phase parameter of the Cabibbo-Kobayashi-Maskawa quark mixing matrix.

This note summarizes the results of the 'Workshop on Polarization and Beam Energy Measurements at the ILC', held at DESY (Zeuthen) April 9-11 2008. The topics for the workshop included (1) physics requirements, (2) polarized sources and low energy polarimetry, (3) BDS polarimeters, (4) BDS energy spectrometers, and (5) physics-based measurements of beam polarization and beam energy from collider data. Discussions focused on the current ILC baseline program as described in the Reference Design Report (RDR), which includes physics runs at beam energies between 100 and 250 GeV, as well as calibration runs on the Z-pole. Electron polarization of P{sub e{sup -}} {approx}> 80% and positron polarization of P{sub e{sup +}} {approx}> 30% are part of the baseline configuration of the machine. Energy and polarization measurements for ILC options beyond the baseline, including Z-pole running and the 1 TeV energy upgrade, were also discussed.

Four isotopes of rutherfordium,254-257Rf, were produced by the 208Pb(48Ti, xn)256-xRf and 208Pb(50Ti, xn)258-xRf reactions (x = 1, 2) at the Lawrence Berkeley National Laboratory 88-Inch Cyclotron. Excitation functions were measured for the 1n and 2n exit channels. A maximum likelihood technique, which correctly accounts for the changing cross section at all energies subtended by the targets, was used to fit the 1n data to allow a more direct comparison between excitation functions obtained under different experimental conditions. The maximum 1n crosssections of the 208Pb(48Ti, n)255Rf and 208Pb(50Ti, n)257Rf reactions obtained from fits to the experimental data are 0.38 +/- 0.07 nb and 40 +/-5 nb, respectively. Excitation functions for the 2n exit channel were also measured, with maximum cross sections of nb for the 48Ti induced reaction, and 15.7 +/- 0.2 nb for the 50Ti induced reaction. The impact of the two neutron difference in the projectile on the 1n cross section is discussed. The results are compared to the Fusion by Diffusion model developed by Swiatecki, Wilczynska, and Wilczynski.

We examine the relative merits of gravity measurements as a monitoring tool for geological CO{sub 2} sequestration in three different modeling scenarios. The first is a combined CO{sub 2} enhanced oil recovery (EOR) and sequestration in a producing oil field, the second is sequestration in a brine formation, and the third is for a coalbed methane formation. EOR/sequestration petroleum reservoirs have relatively thin injection intervals with multiple fluid components (oil, hydrocarbon gas, brine, and CO{sub 2}), whereas brine formations usually have much thicker injection intervals and only two components (brine and CO{sub 2}). Coal formations undergoing methane extraction tend to be thin (3-10 m), but shallow compared to either EOR or brine formations. The injection of CO{sub 2} into the oil reservoir produced a bulk density decrease in the reservoir. The spatial pattern of the change in the vertical component of gravity (G{sub z}) is directly correlated with the net change in reservoir density. Furthermore, time-lapse changes in the borehole G{sub z} clearly identified the vertical section of the reservoir where fluid saturations are changing. The CO{sub 2}-brine front, on the order of 1 km within a 20 m thick brine formation at 1900 m depth, with 30% CO{sub 2} …

Using 214 fb{sup -1} of data recorded by the BABAR detector at the PEPII electron-positron collider, they study the decay D{sub s}{sup +} {yields} K{sup +}K{sup -}e{sup +}{nu}{sub e}. Except for a small S-wave contribution, the events with K{sup +}K{sup -} masses in the range 1.01-1.03 GeV/c{sup 2} correspond to {phi} mesons. For D{sub s}{sup +} {yields} {phi}e{sup +}{nu}{sub e} decays, they measure the relative normalization of the Lorentz invariant form factors at q{sup 2} = 0, r{sub V} = V(0)/A{sub 1}(0) = 1.849 {+-} 0.060 {+-} 0.095, r{sub 2} = A{sub 2}(0)/A{sub 1}(0) = 0.763 {+-} 0.071 {+-} 0.065 and the pole mass of the axial-vector form factors m{sub A} = (2.28{sub -0.18}{sup +0.23} {+-} 0.18) GeV/c{sup 2}. Within the same K{sup +}K{sup -} mass range, they also measure the relative branching fractions {Beta}(D{sub s}{sup +} {yields} K{sup +}K{sup -}e{sup +}{nu}{sub e})/{Beta}(D{sub s}{sup +} {yields} K{sup +}K{sup -}{pi}{sup +}) - 0.558 {+-} 0.007 {+-} 0.016, from which they obtain the total branching fraction {Beta}(D{sub s}{sup +} {yields} {phi}e{sup +}{nu}{sub e}) = (2.61 {+-} 0.03 {+-} 0.08 {+-} 0.15) x 10{sup -2}. By comparing this value with the predicted decay rate, they extract A{sub 1}(0) = 0.607 {+-} 0.011 {+-} …

Inspection of United States-Department of Energy (US-DOE) model 9975 nuclear materials shipping package revealed corrosion of the lead shielding that was induced by off-gas constituents from organic components in the package. Experiments were performed to determine the corrosion rate of lead when exposed to off-gas or degradation products of these organic materials. The results showed that the room temperature vulcanizing (RTV) sealant was the most corrosive organic species used in the construction of the packaging, followed by polyvinyl acetate (PVAc) glue. Fiberboard material, also used in the construction of the packaging induced corrosion to a much lesser extent than the PVAc glue and RTV sealant, and only in the presence of condensed water. The results indicated faster corrosion at temperatures higher than ambient and with condensed water. In light of these corrosion mechanisms, the lead shielding was sheathed in a stainless steel liner to mitigate against corrosion.

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The Dark Energy Survey (DES) collaboration will study cosmic acceleration with a 5000 deg2 griZY survey in the southern sky over 525 nights from 2011-2016. The DES data management (DESDM) system will be used to process and archive these data and the resulting science ready data products. The DESDM system consists of an integrated archive, a processing framework, an ensemble of astronomy codes and a data access framework. We are developing the DESDM system for operation in the high performance computing (HPC) environments at the National Center for Supercomputing Applications (NCSA) and Fermilab. Operating the DESDM system in an HPC environment offers both speed and flexibility. We will employ it for our regular nightly processing needs, and for more compute-intensive tasks such as large scale image coaddition campaigns, extraction of weak lensing shear from the full survey dataset, and massive seasonal reprocessing of the DES data. Data products will be available to the Collaboration and later to the public through a virtual-observatory compatible web portal. Our approach leverages investments in publicly available HPC systems, greatly reducing hardware and maintenance costs to the project, which must deploy and maintain only the storage, database platforms and orchestration and web portal nodes that …

The Generation IV International Forum (GIF) emphasizes proliferation resistance and physical protection (PR&PP) as a main goal for future nuclear energy systems. The GIF PR&PP Working Group has developed a methodology for the evaluation of these systems. As an application of the methodology, Markov model has been developed for the evaluation of proliferation resistance and is demonstrated for a hypothetical Example Sodium Fast Reactor (ESFR) system. This paper presents the case of diversion by the facility owner/operator to obtain material that could be used in a nuclear weapon. The Markov model is applied to evaluate material diversion strategies. The following features of the Markov model are presented here: (1) An effective detection rate has been introduced to account for the implementation of multiple safeguards approaches at a given strategic point; (2) Technical failure to divert material is modeled as intrinsic barriers related to the design of the facility or the properties of the material in the facility; and (3) Concealment to defeat or degrade the performance of safeguards is recognized in the Markov model. Three proliferation risk measures are calculated directly by the Markov model: the detection probability, technical failure probability, and proliferation time. The material type is indicated by …

Building energy performance (BEP) simulation is still rarely used in building design, commissioning and operations. The process is too costly and too labor intensive, and it takes too long to deliver results. Its quantitative results are not reproducible due to arbitrary decisions and assumptions made in simulation model definition, and can be trusted only under special circumstances. A methodology to semi-automate BEP simulation preparation and execution makes this process much more effective. It incorporates principles of information science and aims to eliminate inappropriate human intervention that results in subjective and arbitrary decisions. This is achieved by automating every part of the BEP modeling and simulation process that can be automated, by relying on data from original sources, and by making any necessary data transformation rule-based and automated. This paper describes the new methodology and its relationship to IFC-based BIM and software interoperability. It identifies five steps that are critical to its implementation, and shows what part of the methodology can be applied today. The paper concludes with a discussion of application to simulation with EnergyPlus, and describes data transformation rules embedded in the new Geometry Simplification Tool (GST).

This paper describes a new computerized Subdivision Energy Analysis Tool being developed to allow users to interactively design subdivision street layouts while receiving feedback about energy impacts based on user-specified building design variants and availability of roof surfaces for photovoltaic and solar water heating systems.