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.

The Modular Caustic-Side Solvent Extraction (CSSX) Unit (MCU) and the Salt Waste Processing Facility (SWPF) will produce a Decontaminated Salt Solution (DSS) that will go to the Saltstone Production Facility (SPF). Recent information indicates that solvent entrainment in the DSS is larger than expected. The main concern is with Isopar{reg_sign} L, the diluent in the solvent mixture, and its flammability in the saltstone vault. If it is assumed that all the Isopar{reg_sign} L is released instantaneously into the vault from the curing grout before each subsequent pour, the Isopar{reg_sign} L in the vault headspace is well mixed, and each pour displaces an equivalent volume of headspace, the maximum concentration of Isopar{reg_sign} L in the DSS to assure 25% of the lower flammable limit is not exceeded has been determined to be about 4 ppm. The amount allowed would be higher if the release from grout were significantly less. The Savannah River National Laboratory was tasked with determining the release of Isopar{reg_sign} L from saltstone prepared with a simulated DSS with Isopar{reg_sign} L concentrations ranging from 50 to 200 mg/L in the salt fraction and with test temperatures ranging from ambient to 95 C. The results from the curing of the …

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 distinguishing feature of our collaborative program of study is the focus it brings to emergent phenomena originating from the unique structural/electronic environments found in nanoscale materials. We exploit and develop frontier methods of atomic-scale materials characterization based on electron microscopy (Yang) and synchrotron X-ray absorption spectroscopy (Frenkel) that are in turn coupled innately with advanced first principles theory and methods of computational modeling (Johnson). In the past year we have made significant experimental advances that have led to important new understandings of the structural dynamics of what are unquestionably the most important classes of heterogeneous catalysts—the materials used to both produce and mitigate the consequences of the use of liquid hydrocarbon fuels.

Excitation functions for the 1n and 2n exit channels of the 208Pb(51V,xn)259-xDb reaction were measured. A maximum cross section of the 1n exit channel of 2070+1100/-760 pb was measured at an excitation energy of 16.0 +- 1.8 MeV. For the 2n exit channel, a maximum cross section of 1660+450/-370 pb was measured at 22.0 +- 1.8 MeV excitation energy. The 1n excitation function for the 209Bi(50Ti,n)258Db reaction was remeasured, resulting in a cross section of 5480+1730/1370 pb at an excitation energy of 16.0 +- 1.6 MeV. Differences in cross section maxima are discussed in terms of the fusion probability below the barrier. The extraction of niobium (Nb) and tantalum (Ta) from hydrochloric acid and mixed hydrochloric acid/lithium chloride media by bis(2-ethylhexyl) hydrogen phosphate (HDEHP) and bis(2-ethylhexyl) hydrogen phosphite (BEHP) was studied. The goal of the experiments was to find a system that demonstrates selectivity among the members of group five of the Periodic Table and is also suitable for the study of dubnium (Db, Z = 105). Experiments with niobium and tantalum were performed with carrier (10-6 M), carrier free (10-10 M) and trace (10-16 M) concentrations of metal using hydrochloric acid solution with concentrations ranging from 1 - 11 …

The Augustine Band of Cahuilla Indians was awarded a grant through the Department of Energy First Steps program in June of 2006. The primary purpose of the grant was to enable the Tribe to develop energy conservation policies and a strategy for alternative energy resource development. All of the work contemplated by the grant agreement has been completed and the Tribe has begun implementing the resource development strategy through the construction of a 1.0 MW grid-connected photovoltaic system designed to offset a portion of the energy demand generated by current and projected land uses on the Tribe’s Reservation. Implementation of proposed energy conservation policies will proceed more deliberately as the Tribe acquires economic development experience sufficient to evaluate more systematically the interrelationships between conservation and its economic development goals.

EMSL, located in Richland, Washington, is a national scientific user facility operated for the U.S. Department of Energy (DOE) by the Pacific Northwest National Laboratory. The vision that directed the development of EMSL as a problem-solving environment for environmental molecular science has led to significant scientific progress in many areas ranging from subsurface science to atmospheric sciences, and from biochemistry to catalysis. Our scientific staff and users are recognized nationally and internationally for their significant contributions to solving challenging scientific problems. We have explored new scientific frontiers and organized a vibrant and diverse user community in support of our mission as a national scientific user facility that provides integrated experimental and computational resources in the environmental molecular sciences. Users from around the world - from academia to industry and national laboratories to international research organizations - use the resources of EMSL because of the quality of science that we enable.

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 …

For each sludge batch that is processed in the Defense Waste Processing Facility (DWPF), the Savannah River National Laboratory (SRNL) performs confirmation of the applicability of the digestion method to be used by the DWPF lab for elemental analysis of Sludge Receipt and Adjustment Tank (SRAT) receipt samples and SRAT product process control samples. DWPF SRAT samples are typically dissolved using a room temperature HF-HNO3 acid dissolution (i.e., DWPF Cold Chem Method, see Procedure SW4-15.201) and then analyzed by inductively coupled plasma - atomic emission spectroscopy (ICP-AES). This report contains the results and comparison of data generated from performing the Aqua Regia (AR), Sodium Peroxide/Hydroxide Fusion (PF) and DWPF Cold Chem (CC) method digestion of Sludge Batch 5 (SB5) SRAT Receipt and SB5 SRAT Product samples. The SB5 SRAT Receipt and SB5 SRAT Product samples were prepared in the SRNL Shielded Cells, and the SRAT Receipt material is representative of the sludge that constitutes the SB5 Batch composition. This is the sludge in Tank 51 that is to be transferred into Tank 40, which will contain the heel of Sludge Batch 4 (SB4), to form the SB5 Blend composition. The results for any one particular element should not be used …

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.

The global market for wireless sensor networks in 2010 will be valued close to $10 B, or 200 M units. TPL, Inc. is a small Albuquerque based business that has positioned itself to be a leader in providing uninterruptible power supplies in this growing market with projected revenues expected to exceed $26 M in 5 years. This project focused on improving TPL, Inc.'s patent-pending EnerPak{trademark} device which converts small amounts of energy from the environment (e.g., vibrations, light or temperature differences) into electrical energy that can be used to charge small energy storage devices. A critical component of the EnerPak{trademark} is the supercapacitor that handles high power delivery for wireless communications; however, optimization and miniaturization of this critical component is required. This proposal aimed to produce prototype microsupercapacitors through the integration of novel materials and fabrication processes developed at New Mexico Technology Research Collaborative (NMTRC) member institutions. In particular, we focused on developing novel ruthenium oxide nanomaterials and placed them into carbon supports to significantly increase the energy density of the supercapacitor. These improvements were expected to reduce maintenance costs and expand the utility of the TPL, Inc.'s device, enabling New Mexico to become the leader in the growing global …

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This case study describes how the J.R. Simplot company's Don Plant in Pocatello, Idaho, achieved annual savings of $335,000 and 75,000 MMBtu, with a simple payback of 6.5 months, after receiving a DOE Save Energy Now energy assessment.

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.

Ground-water withdrawal estimates from 1913 through 2003 for the Death Valley regional ground-water flow system are compiled in an electronic database to support a regional, three-dimensional, transient ground-water flow model. This database updates a previously published database that compiled estimates of ground-water withdrawals for 1913–1998. The same methodology is used to construct each database. Primary differences between the 2 databases are an additional 5 years of ground-water withdrawal data, well locations in the updated database are restricted to Death Valley regional ground-water flow system model boundary, and application rates are from 0 to 1.5 feet per year lower than original estimates. The lower application rates result from revised estimates of crop consumptive use, which are based on updated estimates of potential evapotranspiration. In 2003, about 55,700 acre-feet of ground water was pumped in the DVRFS, of which 69 percent was used for irrigation, 13 percent for domestic, and 18 percent for public supply, commercial, and mining activities.

This report presents the framework that was developed to analyze energy efficiency and renewable energy policies on the state level based on how well they meet the stakeholder drivers.

This report summarizes the experimental results done with the fundamental damper for the 56 MHz prototype Cu cavity. Various measurements were done on the cavity including determination of the position of the fundamental damper and measurement of the frequency and Q factor changes while the damper is withdrawn. Prediction on the dissipated power while the damper is withdrawn was made by experiments.

Laboratory radioactive sources were used to characterize the phoswich detector. The CaF{sub 2} scintillator has a low light-yield and slow decay time, thus produces very small signals due to low-energy gamma rays or X-rays. Therefore, detection of 30 keV X-rays (from the xenon radioisotopes) using this layer and discriminating its very small signals from electronic noise was a challenging task. Several solutions were considered and experimentally evaluated. We found that the best solution would be extending the fast triangular filter from 10 taps to 30 taps. This will extend the peaking time of this filter from 25 nsec to 75 nsec. The digital filter is implemented in FPGA on our DPP2.0 and is used to trigger the detection system. Functionality of the new filter in capturing and discriminating 30 keV X-rays was confirmed by using a {sup 133}Ba gamma-ray source. Development of the DPP GUI software has continued with the addition of two new panels to display histograms of beta/gamma and beta/x-ray coincidence events. This includes coincidence events from a single channel, as well as two-channel, coincidence event. A pileup rejection algorithm has been implemented in the FPGA code, and controls to adjust its sensitivity have been added to the …

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.

Clean Cities Now is the official newsletter of DOE's Clean Cities program. It includes articles on coalition activities, fleet and stakeholder success stories, and helpful resources.