OAK-B135 An overview of our work as well as two recent publications are contained in this scientific report. The work reported here revolves around the discovery of new coherent nonlinear kinetic waves in laser produced plasmas, we call KEEN waves (kinetic, electrostatic electron nonlinear waves), and optical mixing experiments on the Imega laser system at LLE with blue-green light for the exploration of ways to suppress parametric instabilities in long scale length, long pulsewidth laser-plasmas such as those which will be found on NIF or LMJ.

Puzzling discrepancies between on the one hand quantum mechanical (QM) electron impact calculations of isolated ion lines and on the other hand experimental data and nonperturbative semiclassical (SC) calculations are reviewed. The origin of these discrepancies was a standard line-broadening literature estimate of the wavefunction extent. The nonperturbative semiclassical calculations are further improved by dropping the long-range approximation and allowing penetrating collisions. This results in excellent agreement with fully quantal calculations for the case of the BIII 2s-2p line. On the other hand the standard perturbative semiclassical method is inadequate even in this particular example, where perturbation theory is valid. Further, the assumption of neglecting the back-reaction in semiclassical calculations is examined.

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It should be noted that the focus of the research changed somewhat during the course of the current award. The initial focus is indicated by the title of the current grant, ''The Magnesium Branch of the Chlorophyll Biosynthetic Pathway''. During the current grant period, Dr. Robert Willows, a postdoctoral associate, joined the faculty of McQuarie University in Australia. When he left my lab, we decided that he should independently pursue research on structure/function relationships in Mg chelatase and that our laboratories would collaborate on regulatory studies of this enzyme. Also, during the current award period, I began collaborating with Dr. Ariane Atteia and Mr. Robert van Lis, who were at the time located at the Autonomous University of Mexico. Dr. Atteia has since joined my laboratory and Mr. van Lis will also do so when he obtains his Ph.D. in the near future. These individuals bring to the laboratory their interests and expertise in the respiratory components of Chlamydomonas and their desire to become experts in tetrapyrrole metabolism. Recently, in a collaboration with Dr. David Bollivar, a former postdoctoral associate who is now at Illinois Wesleyan University, and Dr. Caroline Walker, who was at Clemson University but has since left …

We present the type Ia rate measurement based on two EROS supernova search campaigns (in 1999 and 2000). Sixteen supernovae identified as type Ia were discovered. The measurement of the detection efficiency, using a Monte Carlo simulation, provides the type Ia supernova explosion rate at a redshift {approx} 0.13. The result is 0.125{sub -0.034-0.028}{sup +0.044+0.028} h{sub 70}{sup 2} SNu where 1 SNu = 1 SN/10{sup 10} L{sub {circle_dot}}{sup B}/century. This value is compatible with the previous EROS measurement (Hardin et al. 2000), done with a much smaller sample, at a similar redshift. Comparison with other values at different redshifts suggests an evolution of the type Ia supernova rate.

This paper presents the results of a comparison of three parallel algebraic multigrid (AMG) preconditioners for structural mechanics applications. In particular, they are interested in investigating both the scalability and robustness of the preconditioners. Numerical results are given for a range of structural mechanics problems with various degrees of difficulty.

Host-pathogen interactions result in protein expression changes within both the host and the pathogen. Here, results from proteomic characterization of host response following exposure to Yersinia pestis, the causative agent of plague, and to two near neighbors, Y. pseudotuberculosis and Y. enterocolitica, are reported. Human monocyte-like cells were chosen as a model for macrophage immune response to pathogen exposure. Two-dimensional electrophoresis followed by mass spectrometry was used to identify host proteins with differential expression following exposure to these three closely related Yersinia species. This comparative proteomic characterization of host response clearly shows that host protein expression patterns are distinct for the different pathogen exposures, and contributes to further understanding of Y. pestis virulence and host defense mechanisms. This work also lays the foundation for future studies aimed at defining biomarkers for presymptomatic detection of plague.

This document explores the geochemical reactions likely to occur when hydrofluoric acid is spilled on Savannah River Site (SRS) soil. In particular, we evaluate the potential of environmental damage from a one-time release of concentrated hydrofluoric acid into a trench. According to interviews with personnel involved, sometime between 1955 and 1960 drums of 50-60 per cent hydrofluoric acid were disposed in a trench in the Central Shops area. The method of disposal suggests that most of the acid would have been released at the time of burial. No evidence of drum disposal or acidic pH values was found. Therefore, the Soil and Groundwater Closure Projects group requested that we evaluate potential risk by examining the major geochemical interactions expected between hydrofluoric acid and soil. The geochemical calculations in this report were done with The Geochemist's Workbench (Registered). This program uses an extended Debye-Huckel method for calculating activity coefficients. The conclusions of this report are accurate, but some of the intermediate steps may have higher uncertainty. Hydrofluoric acid disposed in a trench in the area would have reacted with soil kaolinite to neutralize the pH to a value of about 4.2. Based on conservative assumptions, this would have occurred within the …

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Titanium alloy degradation modes are reviewed in relation to their performance in repository environments. General corrosion, localized corrosion, stress corrosion cracking, hydrogen induced cracking, microbially influenced corrosion, and radiation-assisted corrosion of Ti alloys are considered. With respect to the Ti Grade 7 drip shields selected for emplacement in the repository at Yucca Mountain, general corrosion, hydrogen induced cracking, and radiation-assisted corrosion will not lead to failure within the 10,000 year regulatory period; stress corrosion cracking (in the absence of disruptive events) is of no consequence to barrier performance; and localized corrosion and microbially influenced corrosion are not expected to occur. To facilitate the discussion, Ti Grades 2, 5, 7, 9, 11, 12, 16, 17, 18, and 24 are included in this review.

Back surface reflectors have the potential to improve thermophotovoltaic (TPV) device performance though the recirculation of infrared photons. The ''hybrid'' back-surface reflector (BSR) TPV cell approach allows one to construct BSRs for TPV devices using conventional, high efficiency, GaInAsSb-based TPV material. The design, fabrication, and measurements of hybrid BSR-TPV cells are described. The BSR was shown to provide a 4 mV improvement in open-circuit voltage under a constant shortcircuit current, which is comparable to the 5 mV improvement theoretically predicted. Larger improvements in open-circuit voltage are expected in the future with materials improvements.

Beijing Electron-Positron Collider Upgrade (BEPCII) requires three types of superconducting facilities, including one pair of SRF cavities, one pair of interaction region quadrupole magnets, and one detector solenoid magnet. The cryo-plant for BEPCII has a total cooling capacity of 1kW at 4.5K, which is composed of two separate helium refrigerators of 500W each. Two refrigerators share the same gas storage and recovery system. The engineering design for the cryogenic systems, including power leads, control dewars, subcooler, cryogenic valve boxes, cryogenic transfer-lines and cryogenic controls, is completed. The production of its subsystem is under way. This paper summarizes the progress in cryogenics of the BEPCII project.

Operation of SOFCs at intermediate temperatures (500-800 C) requires new combinations of electrolyte and electrode materials that will provide both rapid ion transport across the electrolyte and electrode-electrolyte interfaces and efficient electrocatalysis of the oxygen reduction and fuel oxidation reactions. This project concentrates on materials and issues associated with cathode performance that are known to become limiting factors as the operating temperature is reduced. The specific objectives of the proposed research are to develop cathode materials that meet the electrode performance targets of 1.0 W/cm{sup 2} at 0.7 V in combination with YSZ at 700 C and with GDC, LSGM or bismuth oxide based electrolytes at 600 C. The performance targets imply an area specific resistance of {approx}0.5 {Omega}cm{sup 2} for the total cell. The research strategy is to investigate both established classes of materials and new candidates as cathodes, to determine fundamental performance parameters such as bulk diffusion, surface reactivity and interfacial transfer, and to couple these parameters to performance in single cell tests. The initial choices for study are perovskite oxides based on Sr substituted LaFeO{sub 3}, where significant data in single cell tests exists at PNNL for cathodes on both YSZ and CSO/YSZ, and of Ln{sub 2}NiO{sub …

Three kinds of superconducting device are to be constructed at interaction regions in the upgrade of Beijing Electron-Positron Collider (BEPCII). Two sets of refrigerators with each capacity of 500W at 4.5K are adopted to provide the refrigeration for them. The cryogenic systems to support the operation of the superconducting facilities are under design by Harbin Institute of Technology in China. This paper presents the current design of main cryogenic facilities.

A power lead tower containing the multi-tube power leads is designed and under fabrication for the superconducting IR quadrupole magnets in the Beijing Electron Position Collider Upgrade (BEPCII). The lead tower consists of six pairs of gas-cooled leads for seven superconducting coils at various operating currents. The power lead is designed in a modular fashion, which can be easily applied to suit different operating current. The end copper block of the tube lead has a large cold mass that provide a large time constant in case of cooling flow interruption. A novel cryogenic electrical isolator is used for the leads.

We have demonstrated a 10 Hz Ni-like Mo X-ray laser operating at 18.9 nm with 150 mJ total pump energy by employing a novel pumping scheme. The grazing incidence scheme is described, where a picosecond pulse is incident at a grazing angle to a Mo plasma column produced by a slab target irradiated by a 200 ps laser pulse. This scheme uses refraction of the short pulse at a pre-determined electron density to increase absorption to pump a specific gain region. The high efficiency inherent to this scheme allows a reduction in the pump energy where 70 mJ long pulse energy and 80 mJ short pulse energy are sufficient to produce lasing at a 10 Hz repetition rate. Under these conditions and by optimizing the delay between the pulses, we achieve strong amplification and saturation for 4 mm long targets.

The importance of developing higher-brightness electron beam sources for future accelerators was emphasized during the DOE-BESAC Subcommittee Meeting on the BES 20-Year Facility Roadmap held in Washington on February 20, 2003 [1]. The Subcommittee made a strong recommendation for an R&D program for high-brightness gun development. Spurred by this recommendation, a workshop was organized at Argonne National Laboratory on September 22-26, 2003 under the auspices of the ANL Theory Institute. About thirty experts in electron gun physics came for a week of intense discussion, reviewing the current state of the art and exploring ways to improve the performance of laser-driven rf photocathode guns, in particular whether an order of magnitude improvement of the beam brightness is feasible. Presentations given during the workshop can be found on the Internet at http://www.aps.anl.gov/asd/theory/presentations-online.html. This white paper grew out of the Argonne workshop. Its aim is to provide a summary of the ANL workshop and to propose an R&D program to develop advanced electron sources with an order of magnitude higher brightness than currently feasible. The budget for the R&D program for this purpose, discussed in Section 4, is estimated to be about $10M per year for ten years with an additional onetime start-up …

Ab initio total energy calculations based on the exact muffin-tin orbitals (EMTO) theory are used to determine the high pressure and low temperature phase diagram of Ce and Th metals as well as the Ce{sub 43}Th{sub 57} disordered alloy. The compositional disorder for the alloy is treated in the framework of the coherent potential approximation (CPA). Equation of state for Ce, Th and Ce{sub 43}Th{sub 57} has been calculated up to 1 Mbar in good comparison with experimental data: upon compression the Ce-Th system undergoes crystallographic phase transformation from an fcc to a bct structure and the transition pressure increases with Th content in the alloy.

CDF has resumed the top quark mass measurement with upgraded detectors and Tevatron complex. High statistics should allow us to determine the top mass with an uncertainty of a few GeV/c{sup 2} by the end of Run II. The current measured value, using an integrated luminosity of {approx} 108 pb{sup -1}, is 177.5{sub -9.4}{sup +12.7} (stat.) {+-} 7.1(syst.) GeV/c{sup 2} (lepton + jets with one b-jet tagged mode: the current best mode), which is consistent with RunI measurements.

The authors examine theoretically conduction processes near the Fermi energy of thin layers of zincblende structure half metals, using as an example a superlattice consisting of monolayers of GaAs and MnAs, a bilayer of CrAs, and a bilayer of GaAs. By artificially separating bilayers, they show that non-fourfold coordinated Cr states thwart half metallicity. However, capping the metal-As bilayers restores half metallicity and ballistic conduction of electrons around 0.3 eV above the Fermi level will give nearly 100% spin-polarized transmission in the direction of the thin superlattice. Recent developments suggest atomic layer epitaxy can be used to produce such thin layers for spintronics applications.

OAK-B135 Our BES funded research is aimed at determining structure(s) of model gas-phase ions and understanding how structure influences unimolecular reactivity. The model gas-phase ions include positional isomers of di- and tri-amino acids synthesized in my laboratory, i.e., RGG, GRG, and GGR, to peptides derived from proteolytic digestion of biologically relevant proteins. We are especially interested in understanding the role of intramolecular interactions in the stabilizing ion structure and how changing the charge-site affects structure. The location of charge of gas-phase ions can be manipulated by changing the position of the charge carrying amino acid (basic vs. acidic side chains) and by derivatization of the N- and/or C-terminus. For example, the proton of [M + H]+ ions is mobile and migrates over the entire molecule, whereas Li+, Na+, and to some extent K+ prefers to bind to the C-terminal or side-chain carboxylic acid groups, and Cu+ binds exclusively to the N-terminus and/or basic side-chains such as H, K, and R. The studies are carried out using tandem TOF mass spectrometry, viz. 193 nm (6.43 eV) photodissociation, low (Elab = 10-100 eV) and high kinetic energy (Elab = 1-10 keV) collision-induced dissociation (CID) and surface-induced dissociation (SID)(Elab = 20-70 eV). These …

During the last decade the scientific computing community has optimized many applications for execution on superscalar computing platforms. The recent arrival of the Japanese Earth Simulator has revived interest in vector architectures especially in the US. It is important to examine how to port our current scientific applications to the new vector platforms and how to achieve high performance. The success of porting these applications will also influence the acceptance of new vector architectures. In this paper, we first investigate the memory performance characteristics of the Cray X1, a recently released vector platform, and determine the most influential performance factors. Then, we examine how to optimize applications tuned on superscalar platforms for the Cray X1 using its performance characteristics as guidelines. Finally, we evaluate the different types of optimizations used, the effort for their implementations, and whether they provide any performance benefits when ported back to superscalar platforms.

Fast, two-dimensional, soft x-ray imaging is a powerful technique for the study of MHD instabilities in tokamak plasmas. We have constructed an ultra-fast frame rate soft x-ray camera for the National Spherical Torus Experiment. It is based on a recently developed 64 x 64 pixel CCD camera capable of capturing 300 frames at up to 500,000 frames per second. A pinhole aperture images the plasma soft x-ray emission (0.2-10 keV) onto a P47 scintillator deposited on a fiber-optic faceplate; the scintillator visible light output is detected and amplified by a demagnifying image intensifier and lens-coupled to the CCD chip. A selection of beryllium foils provides discrimination of low-energy emission. The system is installed on NSTX with a wide-angle tangential view of the plasma. Initial plasma data and an assessment of the system performance are presented.

The Non-Equilibrium Zeldovich - von Neumann - Doring (NEZND) theory of self-sustaining detonation identified amplification of pressure wavelets during equilibration of vibrationally excited reaction products in the reaction zone as the physical mechanism by which exothermic chemical energy release sustains detonation waves. This mechanism leads to the formation of the well-known, complex three-dimensional structure of a self-sustaining detonation wave. This amplification mechanism is postulated to be a general property of subsonic and supersonic reactive flows occurring during: shock to detonation transition (SDT); hot spot ignition and growth; deflagration to detonation transition (DDT); flame acceleration by shock or compression waves; and acoustic (sound) wave amplification. The existing experimental and theoretical evidence for pressure wave amplification by chemical energy release into highly vibrationally excited product molecules under these reactive flow conditions is reviewed in this paper.