The modern era of electron-electron interactions began a decade ago. Plummer's group initiated a program of using angular resolved photoemission to examine the band structure of the simple metals. Beginning with aluminum, and carrying on to sodium and potassium, they always found that the occupied energy bands were much narrower than expected. For example, the compressed energy bands for metallic potassium suggest a band effective mass of m* = 1.33m{sub e}. This should be compared to the band mass found from optical conductivity m*/m{sub e} = 1.01 {plus minus} 0.01. The discrepancy between these results is startling. It was this great difference which started my group doing calculations. Our program was two-fold. On one hand, we reanalyzed the experimental data, in order to see if Plummer's result was an experimental artifact. On the other hand, we completely redid the electron-electron self-energy calculations for simple metals, using the most modern choices of local-field corrections and vertex corrections. Our results will be reported in these lectures. They can be summarized as following: Our calculations give the same effective masses as the older calculations, so the theory is relatively unchanged; Our analysis of the experiments suggests that the recent measurements of band narrowing …

The atomic and molecular processes that play a principal role in negative ion formation in a hydrogen negative ion discharge are discussed. The collisions of energetic electrons with gas molecules within the discharge lead to vibrationally excited molecules. Thermal electrons in turn attach to these excited molecules and generate negative ions via the dissociative attachment process. A system geometry chosen to optimize these collision processes is discussed that consists of a high-power discharge in tandem with a low electron temperature bath, the two regions separated by a magnetic filter. The current density extracted from such a system is found to scale inversely with the system scale length provided the gas density and electron density are also increased inversely with scale length. If a system is scaled downward in size to provide a new beamlet but one with increased current density, and these beamlets are packed to fill the original dimension, the new total extracted current will exceed the original total current by the scale factor. The emittance, epsilon, of the new system remains unchanged. The brightness, J/epsilon/sup 2/, of the new system will also be increased in proportion to the scale factor. 4 refs., 2 figs.

The desirable features of cells in suspension will necessarily be dependent upon the use for which the cells were prepared. Adequate cell yield or recovery is defined by the measurement to be performed. Retention of cellular morphology is important for microscopic identification of cell types in a heterogenous cell suspension, and may be used to determine whether the cells in suspension are representative of those in the tumor in situ. Different dispersal protocols may yield cells with different degrees of clonogenicity, as well as altered biochemical features, such as loss of cellular proteins, surface antigens, nucleotide pools, etc. The quality of the cell suspension can be judged by the degree of cell clumping and level of cellular debris, both of which impact on flow cytometric measurements and studies in which the number of cells be known accurately. Finally, if the data measured on the cells in suspension are to be extrapolated to phenomena occurring in the tumor in situ, it is desirable that the cells in suspension are representative of those in the solid tumor in vivo. This report compares characteristics of tumor cell suspensions obtained by different types of selected disaggregation methods. 33 refs., 2 figs., 4 tabs.

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.

Recent in situ observations in stratiform clouds suggest that mixed phase regimes, here defined as limited cloud volumes containing both liquid and solid water, are constrained to narrow layers (order 100 m) separating all-liquid and fully glaciated volumes (Hallett and Viddaurre, 2005). The Department of Energy Atmospheric Radiation Measurement Program's (DOE-ARM, Ackerman and Stokes, 2003) North Slope of Alaska (NSA) ARM Climate Research Facility (ACRF) recently started collecting routine measurement of radar Doppler velocity power spectra from the Millimeter Cloud Radar (MMCR). Shupe et al. (2004) showed that Doppler spectra has potential to separate the contributions to the total reflectivity of the liquid and solid water in the radar volume, and thus to investigate further Hallett and Viddaurre's findings. The Mixed-Phase Arctic Cloud Experiment (MPACE) was conducted along the NSA to investigate the properties of Arctic mixed phase clouds (Verlinde et al., 2006). We present surface based remote sensing data from MPACE to discuss the fine-scale structure of the mixed-phase clouds observed during this experiment.

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The synthesis, characterization and luminescent behavior of trivalent Sm, Eu, Dy and Tb complexes of two enantiomeric, octadentate, chiral, 2-hydroxyisophthalamide ligands are reported. These complexes are highly luminescent in solution. Functionalization of the achiral parent ligand with a chiral 1-phenylethylamine substituent on the open face of the complex in close proximity to the metal center yields complexes with strong circularly polarized luminescence (CPL) activity. This appears to be the first example of a system utilizing the same ligand architecture to sensitize four different lanthanide cations and display CPL activity. The luminescence dissymmetry factor, g{sub lum}, recorded for the Eu(III) complex is one of the highest values reported, and this is the first time the CPL effect has been demonstrated for a Sm(III) complex with a chiral ligand. The combination of high luminescence intensity with CPL activity should enable new bioanalytical applications of macromolecules in chiral environments.

Surfaces and interfaces of complex oxides materials provide a rich playground for the exploration of novel magnetic properties not found in the bulk but also the development of functional interfaces to be incorporated into applications. We have recently been able to demonstrate a new type of hybrid spin filter/ magnetic tunnel junction. Our hybrid spin-filter/magnetic-tunnel junction devices are epitaxial oxide junctions of La{sub 0.7}Sr{sub 0.3}MnO{sub 3} and Fe{sub 3}O{sub 4} electrodes with magnetic NiMn{sub 2}O{sub 4} barrier layers. Depending on whether the barrier is in a paramagnetic or ferromagnetic state, the junction exhibits magnetic tunnel junction behavior where the spin polarized conduction is dominated by the electrode-barrier interface or spin filter behavior where conduction is dominated by barrier layer magnetism.

In this study we have deposited silver-containing hydrogenated and hydrogen-free diamond-like carbon (DLC) nanocomposite thin films by plasma immersion ion implantation-deposition methods. The surface and nano-tribological characteristics were studied by x-ray photoelectron spectroscopy (XPS), atomic force microscopy (AFM) and nano-scratching experiments. The silver doping was found to have no measurable effect on sp2-sp3 hybridization of the hydrogenated DLC matrix and only a slight effect on the hydrogen-free DLC matrix. The surface topography was analyzed by surface imaging. High- and low-order roughness determined by AFM characterization was correlated to the DLC growth mechanism and revealed the smoothing effect of silver. The nano-tribological characteristics were explained in terms of friction mechanisms and mechanical properties in correlation to the surface characteristics. It was discovered that the adhesion friction was the dominant friction mechanism; the adhesion force between the scratching tip and DLC surface was decreased by hydrogenation and increased by silver doping.

Using in situ photoelectron spectroscopy at near ambient conditions, we compare the interaction of water with four different model biomaterial surfaces: self-assembled thiol monolayers on Au(111) that are functionalized with methyl, hydroxyl, and carboxyl groups, and phosphatidylcholine (POPC) lipid films on Silicon. We show that the interaction of water with biomaterial surfaces is mediated by polar functional groups that interact strongly with water molecules through hydrogen bonding, resulting in adsorption of 0.2-0.3 ML water on the polar thiol films in 700 mTorr water pressure and resulting in characteristic N1s and P2p shifts for the POPC films. Provided that beam damage is carefully controlled, in situ electron spectroscopy can give valuable information about water adsorption which is not accessible under ultra-high vacuum conditions.

We report a versatile biofunctional subwavelength photonic device platform for real-time detection of biological molecules. Our devices contain lipid bilayer membranes fused onto metal oxide nanowire waveguides stretched across polymeric flow channels. The lipid bilayers incorporating target receptors are submersed in the propagating evanescent field of the optical cavity. We show that the lipid bilayers in our devices are continuous, have very high mobile fraction, and are resistant to fouling. We also demonstrate that our platform allows rapid membrane exchange. Finally we use this device for detection of specific DNA sequences in solution by anchoring complementary DNA target strands in the lipid bilayer. This evanescent wave sensing architecture holds great potential for portable, all-optical detection systems.

The southwest edge of Eurasia is a tectonically and structurally complex region that includes the Caspian and Black Sea basins, the Caucasus Mountains, and the high plateaus south of the Caucasus. Crustal and upper mantle velocities show great heterogeneity in this region and regional phases display variations in both amplitudes and travel time. Furthermore, due to a lack of quality data, the region has largely been unexplored in terms of the detailed lithospheric seismic structure. A unified high-resolution 3D velocity and attenuation model of the crust and upper mantle will be developed and calibrated. This model will use new data from 23 new broadband stations in the region analyzed with a comprehensive set of techniques. Velocity models of the crust and upper mantle will be developed using a joint inversion of receiver functions and surface waves. The surface wave modeling will use both event-based methods and ambient noise tomography. Regional phase (Pg, Pn, Sn, and Lg) Q model(s) will be constructed using the new data in combination with existing data sets. The results of the analysis (both attenuation and velocity modeling) will be validated using modeling of regional phases, calibration with selected events, and comparison with previous work. Preliminary analyses …

We explore various relations for the detonation energy and velocity as they relate to the inverse radius of the cylinder. The detonation rate-inverse slope relation seen in reactive flow models can be used to derive the familiar Eyring equation. Generalized inverse radii can be shown to fit large quantities of cylinder results. A rough relation between detonation energy and detonation velocity is found from collected JWL values. Cylinder test data for ammonium nitrate mixes down to 6.35 mm radii are presented, and a size energy effect is shown to exist in the Cylinder test data. The relation that detonation energy is roughly proportional to the square of the detonation velocity is shown by data and calculation.

It is shown how quantum mechanical time correlation functions [defined, e.g., in Eq. (1.1)] can be expressed, without approximation, in the same form as the linearized approximation of the semiclassical initial value representation (LSC-IVR), or classical Wigner model, for the correlation function [cf. Eq. (2.1)], i.e., as a phase space average (over initial conditions for trajectories) of the Wigner functions corresponding to the two operators. The difference is that the trajectories involved in the LSC-IVR evolve classically, i.e., according to the classical equations of motion, while in the exact theory they evolve according to generalized equations of motion that are derived here. Approximations to the exact equations of motion are then introduced to achieve practical methods that are applicable to complex (i.e., large) molecular systems. Four such methods are proposed in the paper--the full Wigner dynamics (full WD) and the 2nd order WD based on 'Winger trajectories', and the full Donoso-Martens dynamics (full DMD) and the 2nd order DMD based on 'Donoso-Martens trajectories'--all of which can be viewed as generalizations of the original LSC-IVR method. Numerical tests of these four versions of this new approach are made for two anharmonic model problems, and for each the momentum autocorrelation function (i.e., …

Python is widely used in scientific computing to facilitate application development and to support features such as computational steering. Making full use of some of Python's popular features, which improve programmer productivity, leads to applications that access extremely high numbers of dynamically linked libraries (DLLs). As a result, some important Python-based applications severely stress a system's dynamic linking and loading capabilities and also cause significant difficulties for most development environment tools, such as debuggers. Furthermore, using the Python paradigm for large scale MPI-based applications can create significant file IO and further stress tools and operating systems. In this paper, we present Pynamic, the first benchmark program to support configurable emulation of a wide-range of the DLL usage of Python-based applications for large scale systems. Pynamic has already accurately reproduced system software and tool issues encountered by important large Python-based scientific applications on our supercomputers. Pynamic provided insight for our system software and tool vendors, and our application developers, into the impact of several design decisions. As we describe the Pynamic benchmark, we will highlight some of the issues discovered in our large scale system software and tools using Pynamic.

Currently proposed ERL and high average power FEL projects require electron beam sources that can generate {approx}1nC bunch charges at high repetition rates. Many proposed sources are based around either high voltage DC or microwave RF guns, each with its particular set of technological limits and system complications. We propose a novel solution that greatly diminishes high voltage breakdown issues while also decreasing peak RF power requirements in a warm copper device, and that has the benefit of mapping the rf oscillation period much more closely to the required beam repetition rate. We present the initial RF and mechanical design for a 750kV electron source and beam injection system utilizing a gun resonant in the VHF band. Beam dynamics simulations demonstrate excellent beam quality preservation and transport.

The flash-steam conversion cycle is most suitable for electric power production at the SSGF. However, large-scale development of the SSGF may require use of makeup water supplements to injected brine for a viable reservoir pressure maintenance program. Since steam condensate will probably be required to satisfy power plant cooling needs, local surface waters have been evaluated for their potential use as sources of injection makeup. It was found that direct injection of untreated makeup water is not feasible because of high suspended solids loading and potential incompatability problems. However, mixtures of ambient temperature makeup water and higher temperature (80 to 90/sup 0/C) brine effluent, in a 1:4 mass ratio, are potentially injectable following processing by reaction clarification and granular media filtration.

The EQ3/EQ6 software package contains two computer codes (EQ3 and EQ6) and data files which form a useful tool in modeling precipitation from geothermal fluids caused by heating or cooling. The data files contain information on 140 aqueous species and nearly 150 minerals, and permit calculations over the temperature interval 0 to 350/sup 0/C. Assumption of homogeneous thermodynamic equilibrium in aqueous solution permits calculation of the driving forces for precipitation as measured by the affinity (log Q/K) for each such reaction. Further assumption of precipitation and heterogeneous equilibrium for any mineral whose affinity would otherwise exceed a value of zero permits determination of the identity of the precipitates, their masses and volumes, and the temperature ranges in which they form. The EQ3/EQ6 capability was used to determine the effects of temperature increase on formation of precipitates form Salton Sea water.

A numerical technique for investigating the behavior of many electron atoms in intense laser fields is presented. A description of the method is followed by results of an illustrative, application to helium for a number of wavelengths and intensities. A discussion of high order ionization dynamics for this system based on these calculations is provided. 10 refs.

Historically, the Department of Energy and its predecessors have used and supported the development of systems safety programs, practices, and principles, finding them by and large adequate, effective, and managerially efficient. Today, attempts are bing made to resolve increasingly complex environmental, safety, and health problems by turning to increasingly complex and detailed regulation as the primary governmental answer. It is increasingly doubtful that such an approach will provide management of these issues and problems that is either effective or efficient. Challenge is issued to those in systems safety to develop and apply systems safety principles and practices more broadly to total operational systems and not just to hardware and to environmental and health protection and not just to safety, so that the total universe of environmental, safety, and health can be managed effectively and efficiently with encouragement of innovation and creativity, using a relatively brief and concise, but adequate, regulatory base.

Lawrence Livermore National Laboratory has a number of geothermal programs supported through two offices in the Department of Energy: the Office of Renewable Technologies, Geothermal Technologies Division, and the Office of Basic Energy Sciences, Division of Engineering, Mathematics and Geosciences. Within these programs, we are carrying out research in injection monitoring, optical instrumentation for geothermal wells, seismic imaging methods, geophysical and drilling investigations of young volcanic systems in California, and fundamental studies of the rock and mineral properties.

Fluid pressure oscillations resulting from tidal strain reflect hydrologic and elastic properties of a reservoir. Precise measurement and interpretation of these pressure fluctuations has the potential of being a useful quantitative reservoir engineering tool. Interpretations of reservoir response to tides have been to date of a qualitative nature. This is primarily due to the lack of resolving power of the spectral analysis techniques applied in the data interpretation. We have developed a procedure, based on the statistical nature of the noise in the signal, that overcomes most of these problems. The method quantifies the spectral resolution in terms of an absolute confidence level in both amplitude and phase of the spectral estimate. Analysis of one week of data from a well in the Salton Sea KGRA is presented.

Medicine Lake Volcano, a broad shield volcano about 50km east of Mount Shasta in northern California, produced rhylotic eruptions as recently as 400 years ago. Because of this recent activity it is of considerable interest to producers of geothermal energy. In a joint project sponsored by the Geothermal Research Program of the USGS and the Division of Geothermal and Hydropower Division of the US-DOE, the USGS and LLNL conducted an active seismic experiment designed to explore the area beneath and around the caldera. The experiment of eight explosions detonated in a 50 km radius circle around the volcano recorded on a 11 x 15 km grid of 140 seismographs. The travel time data from the experiment have been inverted for structure and are presented elsewhere in this volume. In this paper we present the results of an inversion for 1/Q structure using t* data in a modified Aki inversion scheme. Although the data are noisy, we find that in general attenuative zones correlate with low velocity zones. In particular, we observe a high 1/Q zone roughly in the center of the caldera at 4 km depth in between two large recent dacite flows. This zone could represent the still molten …

Two new approaches to the simulation and design of large hermetic calorimeters are presented. Firstly, the Shower Library scheme used in the fast generation of showers in the Monte Carlo of the calorimeter for the D-Zero experiment at the Fermilab Tevatron is described. Secondly, a tool for the design future calorimeters is described, which can be integrated with a computer aided design system to give engineering designers an immediate idea of the relative physics capabilities of different geometries. 9 refs., 6 figs., 1 tab.