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There has been significant progress in the ab initio approaches to the structure of light nuclei. One such method is the ab initio no-core shell model (NCSM). Starting from realistic two- and three-nucleon interactions this method can predict low-lying levels in p-shell nuclei. In this contribution, we present a brief overview of the NCSM with examples of recent applications. We highlight our study of the parity inversion in {sup 11}Be, for which calculations were performed in basis spaces up to 9{Dirac_h}{Omega} (dimensions reaching 7 x 10{sup 8}). We also present our latest results for the p-shell nuclei using the Tucson-Melbourne TM three-nucleon interaction with several proposed parameter sets.

BlueGene/L is the next large supercomputer for the DOE ASC program. BlueGene/L will consist of 65,000 dual processor IBM PowerPC 440 processors, each with attached FPU. Several interconnect networks consisting of a full 3D torus, combining tree, barrier tree, and interrupt tree are used to maximize computing efficiency. The theoretical peak performance of the system is 360 Teraflops/s.

Ti K-edge x-ray absorption spectroscopy was used to explore the local titanium environment and valence in 2-4 mol% Ti-doped sodium alanate. An estimate of the oxidation state of the dopant, based upon known standards, revealed a zero-valent titanium atom. An analysis of the near-edge and extended fine structures indicates that the Ti does not enter substitutional or interstitial sites in the NaAlH{sub 4} lattice. Rather, the Ti is located on/near the surface and is coordinated by 10.2 {+-} 1 aluminum atoms with an interatomic distance of 2.82 {+-} 0.01 {angstrom}, similar to that of TiAl{sub 3}. The Fourier transformed EXAFS spectra reveals a lack of long-range order around the Ti dopant indicating that the Ti forms nano-clusters of TiAl{sub 3}. The similarity of the spectra in the hydrided and dehydrided samples suggests that the local Ti environment is nearly invariant during hydrogen cycling.

Bioaerosol mass spectrometry (BAMS) is being developed to analyze and identify biological aerosols in real-time. Mass spectra of individual Bacillus endospores were measured here with a bipolar aerosol time-of-flight mass spectrometer in which molecular desorption and ionization were produced using a single laser pulse from a Q-switched, frequency-quadrupled Nd:YAG laser that was modified to have an approximately flattop profile. The flattened laser profile allowed the minimum fluence required to desorb and ionize significant numbers of ions from single aerosol particles to be determined. For Bacillus spores this threshold had a mean value of approximately 1 nJ/{micro}m{sup 2} (0.1 J/cm{sup 2}). Thresholds for individual spores, however, could apparently deviate by 20% or more from the mean. Threshold distributions for clumps of MS2 bacteriophage and bovine serum albumin were subsequently determined. Finally, the flattened profile was observed to increase the reproducibility of single spore mass spectra. This is consistent with the general conclusions of our earlier paper on the fluence dependence of single spore mass spectra and is particularly significant because it is expected to enable more robust differentiation and identification of single bioaerosol particles.

High-level nuclear waste produced from fuel reprocessing operations at the Savannah River Site (SRS) requires pretreatment to remove {sup 137}Cs, {sup 90}Sr and alpha-emitting radionuclides (i.e., actinides) prior to disposal. Separation processes planned at SRS include caustic side solvent extraction, for {sup 137}Cs removal, and ion exchange/sorption of {sup 90}Sr and alpha-emitting radionuclides with monosodium titanate (MST). The predominant alpha-emitting radionuclides in the highly alkaline waste solutions include plutonium isotopes {sup 238}Pu, {sup 239}Pu and {sup 240}Pu. This paper describes results from a project to produce sorbents that exhibit increased removal kinetics and capacity for {sup 90}Sr and alpha-emitting radionuclides versus that of the baseline MST material. Testing indicated that MST samples prepared in the presence of organic-based templating agents showed limited improvements in performance compared to the baseline MST. We observed significantly improved plutonium and neptunium removal performance with MST samples prepared upon the addition of a proprietary reagent. The modified MST offers the possibility of increased throughput and reduced solids handling in waste processing facilities at the SRS.

No-core shell model (NCSM) calculations using ab initio effective interactions are very successful in reproducing the experimental nuclear spectra. While a great deal of work has been directed toward computing effective interactions from bare nucleon-nucleon (NN) and three-nucleon forces, less progress has been made in calculating the effective operators. Thus, except for the relative kinetic energy, the proton radius, and the NN pair density, all investigations have used bare operators. We apply the Lee-Suzuki procedure to general two-body operators, investigating the importance of the approximations involved. In particular we concentrate on the limitations of the two-body cluster approximation.

We implement an effective operator formalism for general one- and two-body operators, obtaining results consistent with the no-core shell model (NCSM) wave functions. The Argonne V8' nucleon-nucleon potential was used in order to obtain realistic wave functions for {sup 4}He, {sup 6}Li and {sup 12}C. In the NCSM formalism, we compute electromagnetic properties using the two-body cluster approximation for the effective operators and obtain results which are sensitive to the range of the bare operator. To illuminate the dependence on the range, we employ a Gaussian two-body operator of variable range, finding weak renormalization of long range operators (e.g., quadrupole) in a fixed model space. This is understood in terms of the two-body cluster approximation which accounts mainly for short-range correlations. Consequently, short range operators, such as the relative kinetic energy, will be well renormalized in the two-body cluster approximation.

The effects of oxide film on the corrosion behavior of Titanium Grade 7 (0.12-0.25% Pd) in fluoride-containing NaCl brines have been investigated. With the presence of a 0.6 {micro}m thick oxide layer, the annealed Ti grade 7 exhibited a significant improvement on the anodic polarization behavior. However, the oxide film did not demonstrate sustainable corrosion resistance in fluoride-containing solutions.

Various projects under study require an angular-momentum-dominated electron beam generated by a photoinjector. Some of the proposals directly use the angular-momentum-dominated beams (e.g. electron cooling of heavy ions), while others require the beam to be transformed into a flat beam (e.g. possible electron injectors for light sources and linear colliders). In this paper, we report our experimental study of an angular-momentum-dominated beam produced in a photoinjector, addressing the dependencies of angular momentum on initial conditions. We also briefly discuss the removal of angular momentum. The results of the experiment, carried out at the Fermilab/NICADD Photoinjector Laboratory, are found to be in good agreement with theoretical and numerical models.

A distributed memory message-passing parallel implementation of a finite-volume discretization of the primitive equations in the Community Atmosphere Model is presented. These three-dimensional equations can be decoupled into a set of two-dimensional equations by the introduction of a floating vertical coordinate, resulting in considerable potential parallelism. Subsequent analysis of the data dependencies--in particular those arising from the polar singularity of the latitude-longitude coordinate system--suggests that two separate domain decompositions should be employed, each tailored for a different part of the model. The implementation requires that data be periodically redistributed between these two decompositions. Furthermore, data from nearest neighbors are kept in halo regions, which are updated between iterations. These data movements are optimized through one-sided communication primitives and multithreading. The resulting algorithm is shown to scale to very large machine configurations, even for relatively coarse resolutions.

We have developed a program called NADS (Nuclear and Atomic Data System) which provides a web-based, user-friendly interface for viewing nuclear data. NADS uses a client/server model. The client is a Java applet that runs in a web browser. The server is a Python code that delivers pointwise data to the applet per user request and then plots the data. The data is also stored in tables for viewing and modifying. NADS can display 2-D, 3-D and 4-D (time sliced) data in a powerful, user-friendly environment. Currently, evaluated nuclear data are available from ENDF/B-V, ENDF/B-VI, JENDL, JEF and Lawrence Livermore National Laboratory's ENDL databases. LLNL's ENDL database has data for neutron, gamma and charged particles as projectiles. In addition to displaying and saving data, NADS has the capability to perform computations with the data. NADS is accessible over the Internet at http://nuclear.llnl.gov/.

While demand for electricity continues to grow, expansion of the traditional electricity supply system, or macrogrid, is constrained and is unlikely to keep pace with the growing thirst western economies have for electricity. Furthermore, no compelling case has been made that perpetual improvement in the overall power quality and reliability (PQR)delivered is technically possible or economically desirable. An alternative path to providing high PQR for sensitive loads would generate close to them in microgrids, such as the Consortium for Electricity Reliability Technology Solutions (CERTS) Microgrid. Distributed generation would alleviate the pressure for endless improvement in macrogrid PQR and might allow the establishment of a sounder economically based level of universal grid service. Energy conversion from available fuels to electricity close to loads can also provide combined heat and power (CHP) opportunities that can significantly improve the economics of small-scale on-site power generation, especially in hot climates when the waste heat serves absorption cycle cooling equipment that displaces expensive on-peak electricity. An optimization model, the Distributed Energy Resources Customer Adoption Model (DER-CAM), developed at Berkeley Lab identifies the energy bill minimizing combination of on-site generation and heat recovery equipment for sites, given their electricity and heat requirements, the tariffs they face, …

The Radiological Control Operations (RCO) group at the Savannah River Site (SRS) is tasked with conducting routine surveys for the detection of radiological contaminants in the environment. The Radiological Survey Tool Set (RSTS) was developed by the Environmental & Geographic Information Systems (EGIS) group of SRS to assist RCO personnel in this survey process. The tool set consists of two major components. The first component is a custom extension for ArcGIS 8.3 that allows the user to interactively create a sampling plan prior to entering the field. Additionally, the extension allows the user to upload field-collected data to the GIS with post-processing functionality. The second component is a custom ArcPad 6.0 applet. This applet provides the user with navigational capabilities to a selected origin point with the help of Global Positioning Systems (GPS) technology, and the recording of the sample data results into a hand-held field computer via ArcPad 6.0 software.

In this paper we describe a new ray tracing method targeted for inclusion in HADES. The algorithm tracks rays through three-dimensional tetrakis hexahedral mesh objects, like those used by the ARES code to model inertial confinement experiments.

The 31st ICFA Advanced Beam Dynamics Workshop on Electron-Cloud Effects ''ECLOUD'04'' was held April 19-23, 2004 at Napa, CA, USA. A broad range of current topics in this field were illuminated by 53 talks in 7 sessions plus 6 session summaries at the final summary session. These covered a variety of experimental methods and results, along with progress on understanding of the topic obtained from simulations and analytic theory, and evaluations of the effectiveness of various methods/mechanisms for mitigation of the adverse impact on accelerator performance. In addition, a panel discussion was held on ''Future Needs and Future Directions''. A summary of progress on the major themes covered at ECLOUD'04 is presented.

The international conference provided a unique opportunity for theoreticians and experimenters to exchange ideas, strategies, problems, challenges, language and opportunities in both formal and informal settings. This dialog is an important step towards developing a deep and effective integration of theory and experiments in studies of systems biology in humans and model organisms.

The Defense Waste Processing Facilities (DWPF) at the Savannah River Site (SRS) is used to process high-level radioactive waste from the Tank Farm into borosilicate glass to reduce the mobility of the radionuclides and has processed and vitrified nuclear wastes into canisters for long-term disposal since FY96. All wastes vitrified to date in DWPF are ''sludge only'' wastes. The old salt waste processing technology, ITP, was suspended in FY98 due to benzene build-up inside the tank. The new selected technologies for treating the salt waste are Actinide Removal Process (ARP) and Caustic Side Solvent Extraction process (CSSX). The Modular CSSX Unit (MCU) is a cesium removal process that will be operated downstream of the ARP. The MCU is a short-term method for cesium removal, which uses the same technology as the Salt Waste Processing Facility (SWPF). Once the SWPF becomes operational, the MCU will be shut down. The modeling request is from the MCU project to verify the validity of its Concept Design Package. The modeling task is not typical because there are five different facilities/projects/processes involved, i.e., Tank Farm, ARP, MCU, Saltstone, and DWPF. Each facility, project, and process has their own management team and organization, with its own …

The first demonstration of the grazing incidence pumping (GRIP) scheme for laser-driven x-ray lasers (XRLs) is described utilizing 2-pulse pumping. A long pulse is incident normal to the target to produce a plasma with a particular density profile. Then a short pulse is incident at a grazing angle, chosen to optimally couple the short pulse laser energy into the specific density region where the inversion process will occur. The short pulse is simultaneously absorbed and refracted at a maximum electron density specified by the chosen pump angle then turns back into the gain region. The increased path length gives improved absorption allowing a reduction in the drive energy required for lasing. A Ni-like Mo XRL at 18.9 nm has been demonstrated with only 150 mJ total pump energy and a repetition rate of 10 Hz. We report high gains of 60 cm{sup -1} and the achievement of gain saturation for targets of 4 mm length.

The Advanced Monitoring Systems Initiative (AMSI) actively searches for promising technologies and aggressively moves them from the research bench into DOE/NNSA end-user applications. There is a large unfulfilled need for an active element that reaches out to identify and recruit emerging sensor technologies into the test and evaluation function. Sensor research is ubiquitous, with the seeds of many novel concepts originating in the university systems, but at present these novel concepts do not move quickly and efficiently into real test environments. AMSI is a widely recognized, self-sustaining ''business'' accelerating the selection, development, testing, evaluation, and deployment of advanced monitoring systems and components.

We have developed a methodology for analysis of PCCI engines that applies to conditions in which there is some stratification in the air-fuel distribution inside the cylinder at the time of combustion. Our analysis methodology consists of two stages: first, a fluid mechanics code is used to determine temperature and equivalence ratio distributions as a function of crank angle, assuming motored conditions. The distribution information is then used for grouping the mass in the cylinder into a two-dimensional (temperature-equivalence ratio) array of zones. The zone information is then handed on to a detailed chemical kinetics model that calculates combustion, emissions and engine efficiency information. The methodology applies to situations where chemistry and fluid mechanics are weakly linked. The results of the multi-zone model have been compared to the results obtained from a fully integrated code, in which a chemical kinetics code is directly linked into a fluid mechanics code to calculate chemistry in every cell of the grid. The results show that the multi-zone model predicts burn duration and peak cylinder pressure with good accuracy. However, ignition timing predicted by the multi-zone model is sensitive to the transition angle between the fluid mechanics code and the chemical kinetics code. The …

The nuclear Ramsauer model is a semi-classical, analytic approximation to nucleon-nucleus scattering that reproduces total cross section data at the 1% level for A > 40, E{sub n} = 5-60 MeV with 7-10 parameters. A quick overview of the model is given, demonstrating the model's utility in nuclear data evaluation. The Ramsauer model predictions for reaction cross section, elastic cross section, and elastic scattering angular distributions are considered. In a recent paper it has been shown that the nuclear Ramsauer model does not do well in predicting details of the angular distribution of neutron elastic scattering for incident energies of less than 60 MeV for {sup 208}Pb. However, in this contribution it is demonstrated that the default angular bin dispersion most widely used in Monte Carlo transport codes is such that the observed differences in angular shapes are on too fine a scale to affect transport calculations. Simple studies indicate that 512-2048 bins are necessary to achieve the dispersion required for calculations to be sensitive to the observed discrepancies in angular distributions.

The volumetric heat capacities of a number of binary and ternary Er- and Tm-based intermetallic compounds, which exhibited substantial ductilities, were measured from {approx}3 to {approx}350 K. They have the RM stoichiometry (where R = Er or Tm, and M is a main group or transition metal) and crystallize in the CsCl-type structure. The heat capacities of the Tm-based compounds are in general larger than the corresponding Er-based materials. Many of them have heat capacities which are significantly larger than those of the low temperature (<15 K) prototype cryocooler regenerator materials HoCu{sub 2}, Er{sub 3}Ni and ErNi. Utilization of the new materials as regenerators in the various cryocoolers should improve the performance of these refrigeration units for cooling below 15 K.

Ultrasound imaging is widely used in medicine because of its benign characteristics and real-time capabilities. Physics theory suggests that the application of tomographic techniques may allow ultrasound imaging to reach its full potential as a diagnostic tool allowing it to compete with other tomographic modalities such as X-ray CT and MRI. This paper describes the construction and use of a prototype tomographic scanner and reports on the feasibility of implementing tomographic theory in practice and the potential of US tomography in diagnostic imaging. Data were collected with the prototype by scanning two types of phantoms and a cadaveric breast. A specialized suite of algorithms was developed and utilized to construct images of reflectivity and sound speed from the phantom data. The basic results can be summarized as follows: (1) A fast, clinically relevant US tomography scanner can be built using existing technology. (2) The spatial resolution, deduced from images of reflectivity, is 0.4 mm. The demonstrated 10 cm depth-of-field is superior to that of conventional ultrasound and the image contrast is improved through the reduction of speckle noise and overall lowering of the noise floor. (3) Images of acoustic properties such as sound speed suggest that it is possible to …