The threat associated with the potential use of radiological, nuclear, chemical and biological materials in terrorist acts has resulted in new fields of forensic science requiring the application of state-of-the-science analytical techniques. Since the anthrax letter attacks in the United States in the fall of 2001, there has been increased interest in physical and chemical characterization of bacterial spores. While molecular methods are powerful tools for identifying genetic differences, other methods may be able to differentiate genetically identical samples based on physical and chemical properties, as well as provide complimentary information, such as methods of production and approximate date of production. Microanalysis has the potential to contribute significantly to microbial forensics. Bacillus spores are highly structured, consisting of a core, cortex, coat, and in some species, an exosporium. This structure provides a template for constraining elemental abundance differences at the nanometer scale. The primary controls on the distribution of major elements in spores are likely structural and physiological. For example, P and Ca are known to be abundant in the spore core because that is where P-rich nucleic acids and Cadipicolinic acid are located, respectively. Trace elements are known to bind to the spore coat but the controls on these …

This article describes the development of a direct-current (dc) superconducting transformer system for the high current test of superconducting cables. The transformer consists of a core-free 10 464 turn primary solenoid which is enclosed by a 6.5 turn secondary. The transformer is designed to deliver a 50 kA dc secondary current at a dc primary current of about 50 A. The secondary current is measured inductively using two toroidal-wound Rogowski coils. The Rogowski coil signal is digitally integrated, resulting in a voltage signal that is proportional to the secondary current. This voltage signal is used to control the secondary current using a feedback loop which automatically compensates for resistive losses in the splices to the superconducting cable samples that are connected to the secondary. The system has been commissioned up to 28 kA secondary current. The reproducibility in the secondary current measurement is better than 0.05% for the relevant current range up to 25 kA. The drift in the secondary current, which results from drift in the digital integrator, is estimated to be below 0.5 A/min. The system's performance is further demonstrated through a voltage-current measurement on a superconducting cable sample at 11 T background magnetic field. The superconducting transformer …

The attenuation of groundwater contamination via chemical reaction is traditionally evaluated by monitoring contaminant concentration through time. However, this method can be confounded by common transport processes (e.g. dilution, sorption). Isotopic techniques bypass the limits of concentration methods, and so may provide improved accuracy in determining the extent of reaction. We apply measurements of {sup 238}U/{sup 235}U to a U bioremediation field experiment at the Rifle Integrated Field Research Challenge Site in Rifle, Colorado (USA). An array of monitoring and injection wells was installed on a 100 m{sup 2} plot where U(VI) contamination was present in the groundwater. Acetate-amended groundwater was injected along an up-gradient gallery to encourage the growth of dissimilatory metal reducing bacteria (e.g. Geobacter species). During amendment, U concentration dropped by an order of magnitude in the experiment plot. We measured {sup 238}U/{sup 235}U in samples from one monitoring well by MC-ICP-MS using a double isotope tracer method. A significant {approx}1.00{per_thousand} decrease in {sup 238}U/{sup 235}U occurred in the groundwater as U(VI) concentration decreased. The relationship between {sup 238}U/{sup 235}U and concentration corresponds approximately to a Rayleigh distillation curve with an effective fractionation factor ({alpha}) of 1.00046. We attribute the observed U isotope fractionation to a nuclear …

We have performed a detailed study of molecular dissociation in liquid hydrogen using both Born-Oppenheimer molecular dynamics with Density Functional Theory and Coupled Electron-Ion Monte Carlo simulations. We observe a range of densities where (dP/d{rho}){sub T} = 0 that coincides with sharp discontinuities in the electronic conductivity, which is clear evidence of the plasma phase transition for temperatures 600K {le} T {le} 1500K. Both levels of theory exhibit the transition, although Quantum Monte Carlo predicts higher transition pressures. Based on the temperature dependence of the discontinuity in the electronic conductivity, we estimate the critical point of the transition at temperatures slightly below 2000 K. We examine the influence of proton zero point motion by using Path Integral Molecular Dynamics with Density Functional Theory; the main effect is to shift the transition to lower pressures. Furthermore, we calculate the melting curve of molecular hydrogen up to pressures of 200 GPa, finding a reentrant melting line in good agreement with previous calculations. The melting line crosses the metalization line at 700 K and 220 GPa using density functional energetics and at 550 K and 290 GPa using Quantum Monte Carlo energetics.

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Over 5,000 PMTs are being deployed at the South Pole to compose the IceCube neutrino observatory. Many are placed deep in the ice to detect Cherenkov light emitted by the products of high-energy neutrino interactions, and others are frozen into tanks on the surface to detect particles from atmospheric cosmic ray showers. IceCube is using the 10-inch diameter R7081-02 made by Hamamatsu Photonics. This paper describes the laboratory characterization and calibration of these PMTs before deployment. PMTs were illuminated with pulses ranging from single photons to saturation level. Parameterizations are given for the single photoelectron charge spectrum and the saturation behavior. Time resolution, late pulses and afterpulses are characterized. Because the PMTs are relatively large, the cathode sensitivity uniformity was measured. The absolute photon detection efficiency was calibrated using Rayleigh-scattered photons from a nitrogen laser. Measured characteristics are discussed in the context of their relevance to IceCube event reconstruction and simulation efforts.

A comparative examination of the electronic interactions across a series of trimetallic actinide and mixed lanthanide-actinide and lanthanum-actinide complexes is presented. Using reduced, radical terpyridyl ligands as conduits in a bridging framework to promote intramolecular metal-metal communication, studies containing structural, electrochemical, and X-ray absorption spectroscopy are presented for (C{sub 5}Me{sub 5}){sub 2}An[-N=C(Bn)(tpy-M{l_brace}C{sub 5}Me4R{r_brace}{sub 2})]{sub 2} (where An = Th{sup IV}, U{sup IV}; Bn = CH{sub 2}C{sub 6}H{sub 5}; M = La{sup III}, Sm{sup III}, Yb{sup III}, U{sup III}; R = H, Me, Et) to reveal effects dependent on the identities of the metal ions and R-groups. The electrochemical results show differences in redox energetics at the peripheral 'M' site between complexes and significant wave splitting of the metal- and ligand-based processes indicating substantial electronic interactions between multiple redox sites across the actinide-containing bridge. Most striking is the appearance of strong electronic coupling for the trimetallic Yb{sup III}-U{sup IV}-Yb{sup III}, Sm{sup III}-U{sup IV}-Sm{sup III}, and La{sup III}-U{sup IV}-La{sup III} complexes, [8]{sup -}, [9b]{sup -} and [10b]{sup -}, respectively, whose calculated comproportionation constant K{sub c} is slightly larger than that reported for the benchmark Creutz-Taube ion. X-ray absorption studies for monometallic metallocene complexes of U{sup III}, U{sup IV}, and U{sup V} reveal …

The exchange bias of epitaxially grown CoO/Fe/Ag(001) was investigated using X-ray Magnetic Circular Dichroism (XMCD) and X-ray Magnetic Linear Dichroism (XMLD) techniques. A direct XMLD measurement on the CoO layer during the Fe magnetization reversal shows that the CoO compensated spins are rotatable at thinner thickness and frozen, i.e. fixed in direction to the lattice, at larger thickness. By a quantitative determination of the rotatable and frozen CoO spins as a function of the CoO film thickness, we find the remarkable result that the exchange bias is well established before frozen spins are detectable in the CoO film, contrary to the common assumption that the majority of antiferromagnetic spins need to be frozen to generate the exchange bias. We further show that the rotatable/frozen CoO spins are uniformly distributed in the CoO film.

Palynological results from Julietta Lake currently provide the most direct evidence to support the existence of a glacial refugium for Pinus pumila in mountains of southwestern Beringia. Both percentages and accumulation rates indicate the evergreen shrub survived until at least {approx}19,000 14C yr B.P. in the Upper Kolyma region. Percentage data suggest numbers dwindled into the late glaciation, whereas pollen accumulation rates point towards a more rapid demise shortly after {approx}19,000 14C yr B.P. Pinus pumila did not re-establish in any great numbers until {approx}8100 14C yr B.P., despite the local presence {approx}9800 14C yr B.P. of Larix dahurica, which shares similar summer temperature requirements. The postglacial thermal maximum (in Beringia {approx}11,000-9000 14C yr B.P.) provided Pinus pumila shrubs with equally harsh albeit different conditions for survival than those present during the LGM. Regional records indicate that in this time of maximum warmth Pinus pumila likely sheltered in a second, lower-elevation refugium. Paleoclimatic models and modern ecology suggest that shifts in the nature of seasonal transitions and not only seasonal extremes have played important roles in the history of Pinus pumila over the last {approx}21,000 14C yr B.P.

The Precision Robotic Assembly Machine was developed to manufacture the small and intricate laser-driven fusion ignition targets that are being used in the world's largest and most energetic laser, the National Ignition Facility (NIF). The National Ignition Campaign (NIC) goal of using the NIF to produce a self-sustaining nuclear fusion burn with energy gain - for the first time ever in a laboratory setting - requires targets that are demanding in materials fabrication, machining, and assembly. We provide an overview of the design and function of the machine, with emphasis on the aspects that revolutionized how NIC targets are manufactured.

We report the design and current status of a monoenergetic laser-based Compton scattering 0.5-2.5 MeV {gamma}-ray source. Previous nuclear resonance fluorescence results and future linac and laser developments for the source are presented. At MeV photon energies relevant for nuclear processes, Compton scattering light sources are attractive because of their relative compactness and improved brightness above 100 keV, compared to typical 4th generation synchrotrons. Recent progress in accelerator physics and laser technology have enabled the development of a new class of tunable Mono-Energetic Gamma-Ray (MEGa-Ray) light sources based on Compton scattering between a high-brightness, relativistic electron beam and a high intensity laser pulse produced via chirped-pulse amplification (CPA). A new precision, tunable gamma-ray source driven by a compact, high-gradient X-band linac is currently under development and construction at LLNL. High-brightness, relativistic electron bunches produced by an X-band linac designed in collaboration with SLAC will interact with a Joule-class, 10 ps, diode-pumped CPA laser pulse to generate tunable {gamma}-rays in the 0.5-2.5 MeV photon energy range via Compton scattering. Based on the success of the previous Thomson-Radiated Extreme X-rays (T-REX) Compton scattering source at LLNL, the source will be used to excite nuclear resonance fluorescence lines in various isotopes; applications include …

Preferential flow commonly observed in unsaturated soils allows rapid movement of solute from the ground surface or vadose zone to the groundwater, bypassing a significant volume of unsaturated soil and increasing the risk of groundwater contamination. A variety of evidence indicates that complex preferential flow patterns observed from fields are fractals. This paper discusses a macroscopic rela-tionship for modeling preferential flow in the vadose zone. Conceptually, the flow domain can be di-vided into active and inactive regions. Flow occurs preferentially in the active region (characterized by fractals), and inactive region is simply bypassed. The portion of the active region was found to be a power function of saturation. The validity of this macroscopic relationship is demonstrated by its consistency with field observations and the related numerical experiments.

This review examines current approximations and approaches that underlie the evaluation of transport properties for combustion modeling applications. Discussed in the review are: the intermolecular potential and its descriptive molecular parameters; various approaches to evaluating collision integrals; supporting data required for the evaluation of transport properties; commonly used computer programs for predicting transport properties; the quality of experimental measurements and their importance for validating or rejecting approximations to property estimation; the interpretation of corresponding states; combination rules that yield pair molecular potential parameters for unlike species from like species parameters; and mixture approximations. The insensitivity of transport properties to intermolecular forces is noted, especially the non-uniqueness of the supporting potential parameters. Viscosity experiments of pure substances and binary mixtures measured post 1970 are used to evaluate a number of approximations; the intermediate temperature range 1 < T* < 10, where T* is kT/{var_epsilon}, is emphasized since this is where rich data sets are available. When suitable potential parameters are used, errors in transport property predictions for pure substances and binary mixtures are less than 5 %, when they are calculated using the approaches of Kee et al.; Mason, Kestin, and Uribe; Paul and Warnatz; or Ern and Giovangigli. Recommendations stemming …

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This paper describes a three mode HeNe laser frequency stabilization technique using the mixed mode frequency to obtain a fractional frequency stability of 2 x 10{sup -11}. The mixed mode frequency occurs due to optical nonlinear interactions with the adjacent modes at each of the three modes. In precision displacement interferometry systems, the laser source frequency must be stabilized to provide an accurate conversion ratio between phase change and displacement. In systems, such as lithography applications, which require high speed, high accuracy and low data age uncertainty, it is also desirable to avoid periodic nonlinearities, which reduces computation time and errors. One method to reduce periodic nonlinearity is to spatially separate the measurement and reference beams to prevent optical mixing, which has been shown for several systems. Using spatially separated beams and the proper optical configuration, the interferometer can be fiber fed, which can increase the interferometer's stability by reducing the number of beam steering optical elements. Additionally, as the number of measurement axes increases, a higher optical power from the laser source is necessary.

We present the results of coupled thermal, hydraulic, and mechanical (THM) modeling of a proposed stimulation injection associated with an Enhanced Geothermal System (EGS) demonstration project at the northwest part of The Geysers geothermal field, California. The project aims at creating an EGS by directly and systematically injecting cool water at relatively low pressure into a known High Temperature (about 280 to 350 C) Zone (HTZ) located under the conventional (240 C) steam reservoir at depths below 3 km. Accurate micro-earthquake monitoring from the start of the injection will be used as a tool for tracking the development of the EGS. We first analyzed historic injection and micro-earthquake data from an injection well (Aidlin 11), located about 3 miles to the west of the new EGS demonstration area. Thereafter, we used the same modeling approach to predict the likely extent of the zone of enhanced permeability for a proposed initial injection in two wells (Prati State 31 and Prati 32) at the new EGS demonstration area. Our modeling indicates that the proposed injection scheme will provide additional steam production in the area by creating a zone of permeability enhancement extending about 0.5 km from each injection well which will connect …

The proper representation of particulate phenomena is important for the simulation of many non-ideal particle loaded explosives. These explosives present severe numerical difficulties to simulate because numerical approaches for packed particle beds often behave poorly for the dilute regime and the reverse is often true for methods developed for the dilute regime. This paper presents a multiphase framework for the simulation of these non-ideal explosives that accurately accounts for the particulate behavior in both of these regimes. The capability of this framework is enhanced by the use of prescribed PDF methods for both particle size distributions and the representation of chemical processes. We have validated this framework using several experimental methods that accommodate the separation of momentum flux measurements in two-phase blast flows.

Reactive tracers have long been considered a possible means of measuring thermal drawdown in a geothermal system, before significant cooling occurs at the extraction well. Here, we examine the sensitivity of the proposed method to reservoir cooling and demonstrate that while the sensitivity of the method as generally proposed is low, it may be practical under certain conditions. Our analyses suggest that modifications to that method, where practical, could provide much greater sensitivity. In particular, if the reaction can be quenched before maximum temperature is reached, the sensitivity is greatly enhanced. Push-pull tracer tests conducted at the injection well demonstrate similar advantages. Other alternatives, such as combinations of tracers, and tracers with parallel or chain decay behavior may offer similar advantages.

Correlative analysis of molecular markers with phenotypic signatures is the simplest model for hypothesis generation. In this paper, a panel of 24 breast cell lines was grown in 3D culture, their morphology was imaged through phase contrast microscopy, and computational methods were developed to segment and represent each colony at multiple dimensions. Subsequently, subpopulations from these morphological responses were identified through consensus clustering to reveal three clusters of round, grape-like, and stellate phenotypes. In some cases, cell lines with particular pathobiological phenotypes clustered together (e.g., ERBB2 amplified cell lines sharing the same morphometric properties as the grape-like phenotype). Next, associations with molecular features were realized through (i) differential analysis within each morphological cluster, and (ii) regression analysis across the entire panel of cell lines. In both cases, the dominant genes that are predictive of the morphological signatures were identified. Specifically, PPAR? has been associated with the invasive stellate morphological phenotype, which corresponds to triple-negative pathobiology. PPAR? has been validated through two supporting biological assays.

We evaluate two dominant nuclear reaction rates and their uncertainties that affect {sup 44}Ti production in explosive nucleosynthesis. Experimentally we develop thick-target yields for the {sup 40}Ca({alpha},{gamma}){sup 44}Ti reaction at E{sub {alpha}} = 4.13, 4.54, and 5.36 MeV using {gamma}-ray spectroscopy. At the highest beam energy, we also performed an activation measurement which agrees with the thick target result. From the measured yields a stellar reaction rate was developed that is smaller than current statistical-model calculations and recent experimental results, which would suggest lower {sup 44}Ti production in scenarios for the {alpha}-rich freeze out. Special attention has been paid to assessing realistic uncertainties of stellar reaction rates produced from a combination of experimental and theoretical cross sections. With such methods, we also develop a re-evaluation of the {sup 44}Ti({alpha},p){sup 47}V reaction rate. Using these two rates we carry out a sensitivity survey of {sup 44}Ti synthesis in eight expansions representing peak temperature and density conditions drawn from a suite of recent supernova explosion models. Our results suggest that the current uncertainty in these two reaction rates could lead to as large an uncertainty in {sup 44}Ti synthesis as that produced by different treatments of stellar physics.

As thin films become increasingly popular (for solar cells, LEDs, microelectronics, batteries), quantitative morphological information is needed to predict and optimize the film's electronic, optical and mechanical properties. This quantification can be obtained quickly and easily with X-ray diffraction using an area detector and synchrotron radiation in two simple geometries. In this paper, we describe a methodology for constructing complete pole figures for thin films with fiber texture (isotropic in-plane orientation). We demonstrate this technique on semicrystalline polymer films, self-assembled nanoparticle semiconductor films, and randomly-packed metallic nanoparticle films. This method can be immediately implemented to help understand the relationship between film processing and microstructure, enabling the development of better and less expensive electronic and optoelectronic devices.

A pilot-scale field test system with an inner loop nested within an outer loop was constructed for in situ U(VI) bioremediation at a US Department of Energy site, Oak Ridge, TN. The outer loop was used for hydrological protection of the inner loop where ethanol was injected for biostimulation of microorganisms for U(VI) reduction/immobilization. After 2 years of biostimulation with ethanol, U(VI) levels were reduced to below drinking water standard (<30 {micro}gl{sup -1}) in the inner loop monitoring wells. To elucidate the microbial community structure and functions under in situ uranium bioremediation conditions, we used a comprehensive functional gene array (GeoChip) to examine the microbial functional gene composition of the sediment samples collected from both inner and outer loop wells. Our study results showed that distinct microbial communities were established in the inner loop wells. Also, higher microbial functional gene number, diversity and abundance were observed in the inner loop wells than the outer loop wells. In addition, metal-reducing bacteria, such as Desulfovibrio, Geobacter, Anaeromyxobacter and Shewanella, and other bacteria, for example, Rhodopseudomonas and Pseudomonas, are highly abundant in the inner loop wells. Finally, the richness and abundance of microbial functional genes were highly correlated with the mean travel time …

We present an empirical model that describes the experimentally observed laser-induced bulk damage and conditioning behavior in deuterated Potassium dihydrogen Phosphate (DKDP) crystals in a self-consistent way. The model expands on an existing nanoabsorber precursor model and the multi-step absorption mechanism to include two populations of absorbing defects, one with linear absorption and another with nonlinear absorption. We show that this model connects previously uncorrelated small-beam damage initiation probability data to large-beam damage density measurements over a range of ns pulse widths relevant to ICF lasers such as the National Ignition Facility (NIF). In addition, this work predicts the damage behavior of laser-conditioned DKDP and explains the upper limit to the laser conditioning effect. The ADM model has been successfully used during the commissioning and early operation of the NIF.

Advances in the ability to generate extremely high pressures in dynamic experiments such as at the National Ignition Facility has motivated the need for special materials optimized for those conditions as well as ways to probe the response of these materials as they are deformed. We need to develop a much deeper understanding of the behavior of materials subjected to high pressure, especially the effect of rate at the extremely high rates encountered in those experiments. Here we use large-scale molecular dynamics (MD) simulations of the high-rate deformation of nanocrystalline tantalum at pressures less than 100 GPa to investigate the processes associated with plastic deformation for strains up to 100%. We focus on 3D polycrystalline systems with typical grain sizes of 10-20 nm. We also study a rapidly quenched liquid (amorphous solid) tantalum. We apply a constant volume (isochoric), constant temperature (isothermal) shear deformation over a range of strain rates, and compute the resulting stress-strain curves to large strains for both uniaxial and biaxial compression. We study the rate dependence and identify plastic deformation mechanisms. The identification of the mechanisms is facilitated through a novel technique that computes the local grain orientation, returning it as a quaternion for each atom. …