Supicosecond x-ray pulses are routinely produced at ALS,BESSY and SLS with slicing technique and used in pump-probe experimentswith controlled delay between laser pump pulses and x-ray probe pulses.New development aiming for a production of a subpicosecond x-ray pulsesusing rf orbit deflection technique is under way at APS. Both techniqueswill be reviewed here.

A synergistic approach involving experiment and first-principles theory not only shows that carbon nanostructures can be used as catalysts for hydrogen uptake and release in complex metal hydrides such as sodium alanate, NaAlH{sub 4}, but also provides an unambiguous understanding of how the catalysts work. The stability of NaAlH{sub 4} originates from the charge transfer from Na to the AlH{sub 4} moiety, resulting in an ionic bond between Na{sup +} and AlH{sub 4}{sup -} and a covalent bond between Al and H. Interaction of NaAlH{sub 4} with an electro-negative substrate such as carbon fullerene or nanotube affects the ability of Na to donate its charge to AlH{sub 4}, consequently weakening the Al-H bond and causing hydrogen to desorb at lower temperatures as well as facilitating the absorption of H{sub 2} to reverse the dehydrogenation reaction. Ab initio molecular dynamics simulation further reveals the time evolution of the charge transfer process with hydrogen desorption occurring when the charge transfer is complete.

We discuss spin phenomena in high-energy hadronic scattering, with a particular emphasis on the spin physics program now underway at the first polarized proton-proton collider, RHIC. Experiments at RHIC unravel the spin structure of the nucleon in new ways. Prime goals are to determine the contribution of gluon spins to the proton spin, to elucidate the flavor structure of quark and antiquark polarizations in the nucleon, and to help clarify the origin of transverse-spin phenomena in QCD. These lectures describe some aspects of this program and of the associated physics.

Extended magnetohydrodynamic (MHD) codes are used to model the large, slow-growing instabilities that are projected to limit the performance of International Thermonuclear Experimental Reactor (ITER). The multiscale nature of the extended MHD equations requires an implicit approach. The current linear solvers needed for the implicit algorithm scale poorly because the resultant matrices are so ill-conditioned. A new solver is needed, especially one that scales to the petascale. The most successful scalable parallel processor solvers to date are multigrid solvers. Applying multigrid techniques to a set of equations whose fundamental modes are dispersive waves is a promising solution to CEMM problems. For the Phase 1, we implemented multigrid preconditioners from the HYPRE project of the Center for Applied Scientific Computing at LLNL via PETSc of the DOE SciDAC TOPS for the real matrix systems of the extended MHD code NIMROD which is a one of the primary modeling codes of the OFES-funded Center for Extended Magnetohydrodynamic Modeling (CEMM) SciDAC. We implemented the multigrid solvers on the fusion test problem that allows for real matrix systems with success, and in the process learned about the details of NIMROD data structures and the difficulties of inverting NIMROD operators. The further success of this …

In this paper, we present a three-dimensional quasistatic model for high brightness beam dynamics simulation in rf/dc photoinjectors, rf linacs, and similar devices on parallel computers. In this model, electrostatic space-charge forces within a charged particle beam are calculated self-consistently at each time step by solving the three-dimensional Poisson equation in the beam frame and then transforming back to the laboratory frame. When the beam has a large energy spread, it is divided into a number of energy bins or slices so that the space-charge forces are calculated from the contribution of each bin and summed together. Image-charge effects from conducting photocathode are also included efficiently using a shifted-Green function method. For a beam with large aspect ratio, e.g., during emission, an integrated Green function method is used to solve the three-dimensional Poisson equation. Using this model, we studied beam transport in one Linac Coherent Light Sources photoinjector design through the first traveling wave linac with initial misalignment with respect to the accelerating axis.

This report documents the Savannah River National Laboratory (SRNL) support for the Tank Closure and Technology Development (TCTD) group's strategy for closing high level radioactive waste (HLW) tanks at the Savannah River Site (SRS). Specifically, this task addresses the ability to successfully fill intact cooling coils, presently within the HLW tanks, with grout that satisfies the fresh and cured grout requirements [1] under simulated field conditions. The overall task was divided into two phases. The first phase was the development of a grout formulation that satisfies the processing requirements for filling the HLW tank cooling coils [5]. The second phase of the task, which is documented in this report, was the filling of full scale cooling coils under simulated field conditions using the grout formulation developed in the first phase. SRS Type I tank cooling coil assembly design drawings and pressure drop calculations were provided by the Liquid Waste (LW) customer to be used as the basis for configuring the test assemblies. The current concept for closing tanks equipped with internal cooling coils is to pump grout into the coils to inhibit pathways for infiltrating water. Access to the cooling coil assemblies is through the existing supply/return manifold headers located …

We discuss new methods of measuring and interpreting the forbidden-to-intercombination line ratios of helium-like triplets in the X-ray spectra of O-type stars, including accounting for the spatial distribution of the X-ray emitting plasma and using the detailed photospheric UV spectrum. Measurements are made for four O stars using archival Chandra HETGS data. We assume an X-ray emitting plasma spatially distributed in the wind above some minimum radius R{sub 0}. We find minimum radii of formation typically in the range of 1.25 < R{sub 0}/R{sub *} < 1.67, which is consistent with results obtained independently from line profile fits. We find no evidence for anomalously low f/i ratios and we do not require the existence of X-ray emitting plasmas at radii that are too small to generate sufficiently strong shocks.

The following article is an edited transcript based on the Turnbull Lecture given by Eugene E. Haller at the 2005 Materials Research Society Fall Meeting in Boston on November 29, 2005. The David Turnbull Lectureship is awarded to recognize the career of a scientist who has made outstanding contributions to understanding materials phenomena and properties through research, writing, and lecturing, as exemplified by the life work of David Turnbull. Haller was named the 2005 David Turnbull Lecturer for his 'pioneering achievements and leadership in establishing the field of isotopically engineered semiconductors; for outstanding contributions to materials growth, doping and diffusion; and for excellence in lecturing, writing, and fostering international collaborations'. The scientific interest, increased availability, and technological promise of highly enriched isotopes have led to a sharp rise in the number of experimental and theoretical studies with isotopically controlled semiconductor crystals. This article reviews results obtained with isotopically controlled semiconductor bulk and thin-film heterostructures. Isotopic composition affects several properties such as phonon energies, band structure, and lattice constant in subtle, but, for their physical understanding, significant ways. Large isotope-related effects are observed for thermal conductivity in local vibrational modes of impurities and after neutron transmutation doping. Spectacularly sharp photoluminescence lines …

In this chapter we review numerous diagnostics capable of measurements at or near the first wall, many of which contribute information useful for safe operation of a tokamak. There are sections discussing infrared cameras, visible and VUV cameras, pressure gauges and RGAs, Langmuir probes, thermocouples, and erosion and deposition measurements by insertable probes and quartz microbalance. Also discussed are dust measurements by electrostatic detectors, laser scattering, visible and IR cameras, and manual collection of samples after machine opening. In each case the diagnostic is discussed with a view toward application to a burning plasma machine such as ITER.

Computational and experimental work directed at exploringthe electrochemical properties of tetrahedrally coordinated Mn in the +5oxidation state is presented. Specific capacities of nearly 700 mAh/g arepredicted for the redox processes of LixMnO4 complexes based on twotwo-phase reactions. One is topotactic extractionof Li from Li3MnO4 toform LiMnO4 and the second is topotactic insertion of Li into Li3MnO4 toform Li5MnO4. In experiments, it is found that the redox behavior ofLi3MnO4 is complicated by disproportionation of Mn5+ in solution to formMn4+ and Mn7+ and byother irreversible processes; although an initialcapacity of about 275 mAh/g in lithiumcells was achieved. Strategiesbased on structural considerations to improve the electrochemicalproperties of MnO4n- complexes are given.

This paper presents a survey of the present theoretical understanding based on advanced analytical and numerical studies of collective processes and beam-plasma interactions in intense heavy ion beams for applications to ion-beam-driven high energy density physics and heavy ion fusion. The topics include: discussion of the conditions for quiescent beam propagation over long distances; and the electrostatic Harris instability and the transverse electromagnetic Weibel instability in highly anisotropic, intense one-component ion beams. In the longitudinal drift compression and transverse compression regions, collective processes associated with the interaction of the intense ion beam with a charge-neutralizing background plasma are described, including the electrostatic electron-ion two-stream instability, the multispecies electromagnetic Weibel instability, and collective excitations in the presence of a solenoidal magnetic field. The effects of a velocity tilt on reducing two-stream instability growth rates are also discussed. Operating regimes are identified where the possible deleterious effects of collective processes on beam quality are minimized.

The world is at a turning point, moving away from the Cold War nuclear legacy towards a future global nuclear enterprise; and this presents a transformational challenge for nuclear materials management. Achieving safety and security during this transition is complicated by the diversified spectrum of threat 'players' that has greatly impacted nonproliferation, counterterrorism, and homeland security requirements. Rogue states and non-state actors no longer need self-contained national nuclear expertise, materials, and equipment due to availability from various sources in the nuclear market, thereby reducing the time, effort and cost for acquiring a nuclear weapon (i.e., manifestations of latency). The terrorist threat has changed the nature of military and national security requirements to protect these materials. An Integrated Global Nuclear Materials Management (IGNMM) approach would address the existing legacy nuclear materials and the evolution towards a nuclear energy future, while strengthening a regime to prevent nuclear weapon proliferation. In this paper, some preliminary concepts and studies of IGNMM will be presented. A systematic analysis of nuclear materials, activities, and controls can lead to a tractable, integrated global nuclear materials management architecture that can help remediate the past and manage the future. A systems approach is best suited to achieve multi-dimensional and …

The project objectives are: (1) determine for the first time the properties limiting the performance of CZT detectors; (2) develop efficient, non-destructive techniques to measure the quality of detector materials; and (3) provide rapid feedback to crystal growers and, in conjunction with suppliers, improve CZT detector performance as measured by device energy resolution, efficiency, stability and cost. The goal is a stable commercial supply of low-cost, high energy resolution (0.5% FWHM at 662 keV) CZT crystals for detecting, characterizing and imaging nuclear and radiological materials in a wide variety of field conditions.

Metal ions were extracted from pulsed discharge plasmas operating in the transition region between vacuum spark (transient high voltage of kV) and vacuum arc (arc voltage ~;; 20 V). At a peak current of about 4 kA, and with a pulse duration of 8 ?s, we observed mean ion charges states of about 6 for several cathode materials. In the case of platinum, the highest average charge state was 6.74 with ions of charge states as high as 10 present. For gold we found traces of charge state 11, with the highest average charge state of 7.25. At currents higher than 5 kA, non-metallic contaminations started to dominate the ion beam, preventing further enhancement of the metal charge states.

This program investigated development of a multiple beam inductive output tube (IOT) to produce 30 MW pulses at 200 MHz. The program was successful in demonstrating feasibility of developing the source to achieve the desired power in microsecond pulses with 70% efficiency. The predicted gain of the device is 24 dB. Consequently, a 200 kW driver would be required for the RF input. Estimated cost of this driver is approximately $1.25 M. Given the estimated development cost of the IOT of approximately $750K and the requirements for a test set that would significantly increase the cost, it was determined that development could not be achieved within the funding constraints of a Phase II program.

Individual nanoscale building blocks exhibit a wide range of size-dependent properties, since their size can be tuned over known characteristic length scales of bulk materials. In the last several years, the possibility of combining different materials in the form of two and three component nanoparticles (NPs) has been extensively explored. Also multi-component materials can be obtained via self-assembly of NPs from their binary colloidal mixtures. These new nanocrystal solids may possess tunable collective properties that originate from interactions between size and composition controlled building blocks. Exchange coupling between neighboring NPs of magnetically soft and hard materials enhances the magnetic energy product of the nanocomposite material. Randomly mixed solids of small and large semiconducting CdSe NPs revealed enhancement of photoluminescence intensity of large semiconductor particles accompanied by quenching of photoluminescence of the small particles because of long-range resonant transfer of electronic excitations from the more electronically confined small particles to higher excited states of the large particles. Recently, it was demonstrated that binary semiconducting composite materials can show strongly enhanced electronic properties with about 100-fold higher conductance as compared to the sum of individual conductances of single-component films. Creation of highly periodic superlattices is expected not just provide the control of …

During this DOE SBIR Phase II project, we have successfully developed several soft ionization techniques, i.e., ionization schemes which involve less fragmentation of the ions, for use with the Aerodyne time-of-flight aerosol mass spectrometer (ToF-AMS). Vacuum ultraviolet single photon ionization was demonstrated in the laboratory and deployed in field campaigns. Vacuum ultraviolet single photon ionization allows better identification of organic species in aerosol particles as shown in laboratory experiments on single component particles, and in field measurements on complex multi-component particles. Dissociative electron attachment with lower energy electrons (less than 30 eV) was demonstrated in the measurement of particulate organics in chamber experiments in Switzerland, and is now a routine approach with AMS systems configured for bipolar, negative ion detection. This technique is particularly powerful for detection of acidic and other highly oxygenated secondary organic aerosol (SOA) chemical functionality. Low energy electron ionization (10 to 12 eV) is also a softer ionization approach routinely available to AMS users. Finally, Lithium ion attachment has been shown to be sensitive to more alkyl-like chemical functionality in SOA. Results from Mexico City are particularly exciting in observing changes in SOA molecular composition under different photochemical/meteorological conditions. More recent results detecting biomass burns at …

This paper accompanies a poster that is being presented atthe SciDAC 2006 meeting in Denver, CO. This project focuses on leveragingscientific visualization and analytics software technology as an enablingtechnology for increasing scientific productivity and insight. Advancesincomputational technology have resultedin an "information big bang,"which in turn has createda significant data understanding challenge. Thischallenge is widely acknowledged to be one of the primary bottlenecks incontemporary science. The vision for our Center is to respond directly tothat challenge by adapting, extending, creating when necessary anddeploying visualization and data understanding technologies for ourscience stakeholders. Using an organizational model as a Visualizationand Analytics Center for Enabling Technologies (VACET), we are wellpositioned to be responsive to the needs of a diverse set of scientificstakeholders in a coordinated fashion using a range of visualization,mathematics, statistics, computer and computational science and datamanagement technologies.

The nature of electronic excitations in crystalline solid nitromethane under conditions of shock loading and static compression are examined. Density functional theory calculations are used to determine the crystal bandgap under hydrostatic stress, uniaxial strain, and shear strain. Bandgap lowering under uniaxial strain due to molecular defects and vacancies is considered. In all cases, the bandgap is not lowered enough to produce a significant population of excited states in the crystal. Preliminary simulations on the formation of detonation product molecules from HMX are discussed.

SLAC's Advanced Computations Department (ACD) has developed the first parallel Finite Element 3D Particle-In-Cell (PIC) code, Pic3P, for simulations of RF guns and other space-charge dominated beam-cavity interactions. Pic3P solves the complete set of Maxwell-Lorentz equations and thus includes space charge, retardation and wakefield effects from first principles. Pic3P uses higher-order Finite Elementmethods on unstructured conformal meshes. A novel scheme for causal adaptive refinement and dynamic load balancing enable unprecedented simulation accuracy, aiding the design and operation of the next generation of accelerator facilities. Application to the Linac Coherent Light Source (LCLS) RF gun is presented.

A new catalog of seismicity at magnitudes above 2.5 for the period 1923-2008 in the Iran region is assembled from arrival times reported by global, regional, and local seismic networks. Using in-country data we have formed new events, mostly at lower magnitudes that were not previously included in standard global earthquake catalogs. The magnitude completeness of the catalog varies strongly through time, complete to about magnitude 4.2 prior to 1998 and reaching a minimum of about 3.6 during the period 1998-2005. Of the 25,722 events in the catalog, most of the larger events have been carefully reviewed for proper phase association, especially for depth phases and to eliminate outlier readings, and relocated. To better understand the quality of the data set of arrival times reported by Iranian networks that are central to this study, many waveforms for events in Iran have been re-picked by an experienced seismic analyst. Waveforms at regional distances in this region are often complex. For many events this makes arrival time picks difficult to make, especially for smaller magnitude events, resulting in reported times that can be substantially improved by an experienced analyst. Even when the signal/noise ratio is large, re-picking can lead to significant differences. …

We review recent progress in determining the effects of D-brane instantons in N=1 supersymmetric compactifications of Type II string theory to four dimensions. We describe the abstract D-brane instanton calculus for holomorphic couplings such as the superpotential, the gauge kinetic function and higher fermionic F-terms. This includes a discussion of multi-instanton effects and the implications of background fluxes for the instanton sector. Our presentation also highlights, but is not restricted to the computation of D-brane instanton effects in quiver gauge theories on D-branes at singularities. We then summarize the concrete consequences of stringy D-brane instantons for the construction of semi-realistic models of particle physics or SUSY-breaking in compact and non-compact geometries.

Supersymmetric models with spontaneously broken approximate R-symmetry contains a light spin 0 particle, the R-axion. The properties of the particle can be a powerful probe of the structure of the new physics. In this paper, we discuss the possibilities of the R-axion detection at the LHC experiments. It is challenge to observe this light particle in the LHC environment. However, for typical values in which the mass of the R-axion is a few hundred MeV, we show that those particles can be detected by searching for displaced vertices from R-axion decay.

The Planck satellite will observe the full sky at nine frequencies from 30 to 857 GHz. Temperature and polarization frequency maps made from these observations are prime deliverables of the Planck mission. The goal of this paper is to examine the effects of four realistic instrument systematics in the 30 GHz frequency maps: non-axially-symmetric beams, sample integration, sorption cooler noise, and pointing errors. They simulated one year long observations of four 30 GHz detectors. The simulated timestreams contained CMB, foreground component (both galactic and extra-galactic), instrument nolise (correlated and white), and the four instrument systematic effects. They made maps from the timelines and examined the magnitudes of the systematics effects in the maps and their angular power spectra. They also compared the maps of different mapmaking codes to see how they performed. They used five mapmaking codes (two destripers and three optimal codes). None of their mapmaking codes makes an attempt to deconvolve the beam from its output map. Therefore all our maps had similar smoothing due to beams and sample integration. This is a complicated smoothing, because every map pixel has its own effective beam. Temperature to polarization cross-coupling due to beam mismatch causes a detectable bias in the …