The authors develop a plane-wave-based transfer matrix method in curvilinear coordinates to study the guided modes in curved nanoribbon waveguides. The problem of a curved structure is transformed into an equivalent one of a straight structure with spatially dependent tensors of dielectric constant and magnetic permeability. The authors investigate the coupling between the eigenmodes of the straight part and those of the curved part when the waveguide is bent. The authors show that curved sections can result in strong oscillations in the transmission spectrum similar to the recent experimental results of Lawet al.

The goal of this work was to optimize and evaluate LLNL's in-bed amplification technology to improve the level of detection for suspensions containing trace amounts of anthracis DNA. The binding/cleaning performance of the packed bed is compared to the conventional commercial approach; Qiagen column cleanup and elution, followed by detection through an ex-situ amplification process. Five liquid suspensions were spiked with B.anthracis DNA in concentration series. These suspensions were: (1) water, (2) water with EDTA, (3) dirty water from carpet extraction, (4) dirty carpet extraction with phosphate buffered saline (PBS) plus 0.1% Tween 20 plus 0.1% gelatin, and (5) a subway aerosol collected in water. Each suspension matrix was spiked with DNA and injected (in replicate) into either Qiagen Microcolumns (using the kit processing instructions) or LLNL's packed bed (using the LLNL in-bed purification and amplification protocol). The process output was assayed by quantitative polymerase chain reaction (QPCR). Table ES-1 shows the level of DNA (pg per 100 uL of input suspension) that resulted in successful amplification for all reactions (X=Y), and the level for which at least one of the reactions was successful (X>0). For each suspension and DNA concentration, there were Y QPCR assays of which X showed …

Energy modeling and analysis often relies on data collected for other purposes such as census counts, atmospheric and air quality observations, and economic projections. These data are available at various spatial and temporal scales, which may be different from those needed by the energy modeling community. If the translation from the original format to the format required by the energy researcher is incorrect, then resulting models can produce misleading conclusions. This is of increasing importance, because of the fine resolution data required by models for new alternative energy sources such as wind and distributed generation. This paper addresses the matter by applying spatial statistical techniques which improve the usefulness of spatial data sets (maps) that do not initially meet the spatial and/or temporal requirements of energy models. In particular, we focus on (1) aggregation and disaggregation of spatial data, (2) imputing missing data and (3) merging spatial data sets.

In this short article the accurate labeling of the O4,5 edges of the light actinides is addressed. The O4 and O5 edges are both contained in what is termed the ''giant resonance'' and the smaller ''pre-peak'' that is observed is a consequence of first-order perturbation by the 5d spin-orbit interaction. Thus, the small prepeak in the actinide 5d {yields} 5f transition should not be labeled the O5 peak, but rather the {Delta}S=1 peak.

What is the best description that we can construct of athermodynamic system that is not in equilibrium, given only one, or afew, extra parameters over and above those needed for a description ofthe same system at equilibrium? Here, we argue the most appropriateadditional parameter is the non-equilibrium entropy of the system, andthat we should not attempt to estimate the probability distribution ofthe system, but rather the metaprobability (or hyperensemble) that thesystem is described by a particular probability distribution. The resultis an entropic distribution with two parameters, one a non-equilibriumtemperature, and the other a measure of distance from equilibrium. Thisdispersion parameter smoothly interpolates between certainty of acanonical distribution at equilibrium and great uncertainty as to theprobability distribution as we move away from equilibrium. We deducethat, in general, large, rare fluctuations become far more common as wemove away from equilibrium.

Shimming systems are required to provide sufficient fieldhomogeneity for high resolution NMR. In certain specialized applications,such as rotating-field NMR and portable (ex-situ) NMR, permanentmagnet-based shimming systems can provide considerable advantages. Wepresent a simple two-dimensional shimming method based on harmoniccorrector rings which can provide arbitrary multipole order shimmingcorrections. Results demonstrate, for example, that quadrupolar ordershimming improves the linewidth by up to and order of magnitude. Anadditional order of magnitude reduction is in principle achievable byultilizing this shimming method for z-gradient correction and higherorder xy gradients.

Energetic materials are unique for having a strong exothermic reactivity, which has made them desirable for both military and commercial applications. Energetic materials are commonly divided into high explosives, propellants, and pyrotechnics. We will focus on high explosive (HE) materials here, although there is a great deal of commonality between the classes of energetic materials. Although the history of HE materials is long, their condensed-phase properties are poorly understood. Understanding the condensed-phase properties of HE materials is important for determining stability and performance. Information regarding HE material properties (for example, the physical, chemical, and mechanical behaviors of the constituents in plastic-bonded explosive, or PBX, formulations) is necessary for efficiently building the next generation of explosives as the quest for more powerful energetic materials (in terms of energy per volume) moves forward. In modeling HE materials there is a need to better understand the physical, chemical, and mechanical behaviors from fundamental theoretical principles. Among the quantities of interest in plastic-bonded explosives (PBXs), for example, are thermodynamic stabilities, reaction kinetics, equilibrium transport coefficients, mechanical moduli, and interfacial properties between HE materials and the polymeric binders. These properties are needed (as functions of stress state and temperature) for the development of improved micro-mechanical …

The purpose of this work is to examine the environmental, safety, health and operational aspects of detonating a confined explosive test apparatus that has been designed to maximize the dynamics of impact on beryllium metal components for Contained Firing Facility (CFF) applications. A combination of experimental collection and evaluation methods were designed and implemented to provide an evaluation of immediately postdetonation by-products reflecting a potential worst-case scenario beryllium aerosolization explosive event. The collective Material Evaluation Test Series (METS) 04 - 06 provided explosive devices designed to scale for the dedicated METS firing tank that would provide a post-detonation internal environment comparable to the CFF. The experimental results provided appropriate information to develop operational parameters to be considered for conducting full-scale beryllium-containing experimental tests with similar designs within CFF and B801A. These operational procedures include the inclusion of chelating agents in pre-shot CFF cardboard containers with a minimum of 600 gallons content, an extended time period post-test before purging the CFF chamber, and an adaptation of approaches toward applications of the scrubber and HEPA systems during the post-shot sequence for an integrated environmental, safety, and health approach. In addition, re-entry and film retrieval procedures will be adapted, in line with abatement …

We report Stark shift measurements for {sup 121}Sb donor electron spins in silicon using pulsed electron spin resonance. Interdigitated metal gates on top of a Sb-implanted {sup 28}Si epi-layer are used to apply electric fields. Two Stark effects are resolved: a decrease of the hyperfine coupling between electron and nuclear spins of the donor and a decrease in electron Zeeman g-factor. The hyperfine term prevails at X-band magnetic fields of 0.35T, while the g-factor term is expected to dominate at higher magnetic fields. A significant linear Stark effect is also resolved presumably arising from strain.

The 1607-D4 Septic System was a septic tank and tile field that received sanitary sewage from the 115-D/DR Gas Recirculation Facility. This septic system operated from 1944 to 1968. Decommissioning took place in 1985 and 1986 when all above-grade features were demolished and the tank backfilled. The results of verification sampling demonstrated that residual contaminant concentrations do not preclude any future uses and allow for unrestricted use of shallow zone soils. The results also showed that residual contaminant concentrations are protective of groundwater and the Columbia River.

The radionuclides {sup 14}C and {sup 3}H may both be released from nuclear facilities. These radionuclides differ from most others in that they are isotopes of macro-elements which form the basis of animal tissues, feed and, in the case of {sup 3}H, water. There are few published values describing the transfer of {sup 3}H and {sup 14}C from feed to animal derived food products. Approaches are described which enable the prediction of {sup 14}C and {sup 3}H transfer parameter values from readily available information on the stable H or C concentration of animal feeds, tissues and milk, water turnover rates, and feed intakes and digestibilities. It is recommended that the concentration ratio between feed and animal product activity concentrations be used as it is less variable than the transfer coefficient (ratio between radionuclide activity concentration in animal milk or tissue to the daily intake of a radionuclide).

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We consider the adiabatic and quasi-static compression of adilute classical gas, confined in a piston and initially equilibratedwith a heat bath. We find that the work performed during this process isdescribed statistically by a gamma distribution. We use this result toshow that the model satisfies the non-equilibrium work and fluctuationtheorems, but not the fluctation-dissipation relation. We discuss therare but dominant realizations that contribute most to the exponentialaverage of the work, and relate our results to potentially universal workdistributions.

We construct metastable configurations of branes and anti-branes wrapping 2-spheres inside local Calabi-Yau manifolds and study their large N duals. These duals are Calabi-Yau manifolds in which the wrapped 2-spheres have been replaced by 3-spheres with flux through them, and supersymmetry is spontaneously broken. The geometry of the non-supersymmetric vacuum is exactly calculable to all orders of the't Hooft parameter, and to the leading order in 1/N. The computation utilizes the same matrix model techniques that were used in the supersymmetric context. This provides a novel mechanism for breaking supersymmetry in the context of flux compactifications.

Over the summer of 2005, the Lawrence Livermore National Laboratory (LLNL) Computer Applications and Research Department conducted a small project that examined whether Open Geospatial Consortium (OGC) standards might be useful in meeting program mission requirements more effectively. OGC standards are intended to facilitate interoperability between geospatial processing systems to lower development costs and to avoid duplication of effort and vendor lock-in. Some OGC standards appear to be gaining traction in the geospatial data community, the Federal government, Department of Energy (DOE) and Department of Homeland Security (DHS) and so an evaluation was deemed appropriate.

The major objectives of the proposed study are to 1) determine the leaching characteristics of Cr(VI) from contaminated sediments collected from 100 area spill sites, 2) elucidate possible Cr(VI) mineral and/or chemical associations that may be responsible for Cr(VI) retention in the Hanford site 100 areas through the use of i) macroscopic solubility studies and ii) microscale characterization of contaminated sediments, and 3) from these data construct a conceptual model of Cr(VI) geochemistry in the Hanford 100 area vadose zone. These objectives are based on locating and obtaining contaminated sediment with depth and at varying Cr(VI) concentrations as we hypothesize that mineral/chemical-Cr(VI) associations should be related to the total Cr concentration and other master geochemical variables (e.g., pH, counter-cation type and concentration, and water content). In addressing these objectives, additional benefits accrued will be (1) a fuller understanding of Cr(VI) entrained in the vadose zone that will that can be utilized in modeling potential Cr(VI) source terms, and 2) accelerating the Columbia River 100 area corridor cleanup by developing remedial action based on a fundamental understanding of Cr(VI) vadose zone geochemistry.

Electronic spin-pairing transition of iron in magnesiow{umlt u}stite-(Mg,Fe)O has been recently studied with X-ray emission and M{umlt o}ssbauer spectroscopies under high pressures. While these studies reported a high-spin to low-spin transition of iron to occur at pressures above approximately 50 GPa, the width of the observed transition varies significantly. In particular, Kantor et al. reported that the transition in (Mg0.8,Fe0.2)O occurs over a pressure range of approximately 50 GPa in high-pressure M{umlt o}ssbauer measurements. To account for the discrepancy in the transition pressure, Kantor et al. reanalyzed the X-ray emission spectra by Lin et al. using a simple spectral decomposition method and claimed that X-ray emission measurements are also consistent with a spin crossover of iron at high pressures. Here we show that the proposed fitting method is inadequate to describe the X-ray emission spectrum of the low-spin FeS2 and would give an erroneous satellite peak (K{sub beta}') intensity, leading to an artificial high-spin component and, consequently, to invalid conclusions regarding the width of the pressure-induced transition in magnesiow{umlt u}stite. Furthermore, we compare Kantor's M{umlt o}ssbauer data with other recent high-pressure M{umlt o}ssbauer studies and show that the width of the transition can be simply explained by different experimental conditions …

Many applications of modeling spatial dynamic systems focus on a single system and a single process, ignoring the geographic and systemic context of the processes being modeled. A solution to this problem is the coupled modeling of spatial dynamic systems. Coupled modeling is challenging for both technical reasons, as well as conceptual reasons. This paper explores the benefits and challenges to coupling or linking spatial dynamic models, from loose coupling, where information transfer between models is done by hand, to tight coupling, where two (or more) models are merged as one. To illustrate the challenges, a coupled model of Urbanization and Wildfire Risk is presented. This model, called Vesta, was applied to the Santa Barbara, California region (using real geospatial data), where Urbanization and Wildfires occur and recur, respectively. The preliminary results of the model coupling illustrate that coupled modeling can lead to insight into the consequences of processes acting on their own.

The 132-F-1 site is the former location of the 141-F Chronic Feeding Sheep Barn that was part of the experimental animal farm at the 100-F Area. It was an L-shaped concrete block building with a concrete floor and concrete animal pens located both inside and outside the building. The 141-F Building was demolished in 1977 following relocation of animal research to the 300 Area. The results of verification sampling demonstrated that residual contaminant concentrations do not preclude any future uses and allow for unrestricted use of shallow zone soils. The results also showed that residual contaminant concentrations are protective of groundwater and the Columbia River.

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In this report the event data model (EDM) relevant for tracking in the ATLAS experiment is presented. The core component of the tracking EDM is a common track object which is suited to describe tracks in the innermost tracking sub-detectors and in the muon detectors in offline as well as online reconstruction. The design of the EDM was driven by a demand for modularity and extensibility while taking into account the different requirements of the clients. The structure of the track object and the representation of the tracking-relevant information are described in detail.

The strength and deformation behavior of ball-milled, iron-base materials containing nano-scale subgrains have been evaluated. As reported by several authors, nanosubgrains form during the early stages of ball milling as a result of severe plastic deformation inherent in the ball milling process. The strength for these nano-scale subgrains are compared with the strength of larger-scale subgrains in iron and iron-base alloys produced by traditional mechanical working. The data covers over 2 orders of magnitude in subgrain size (from 30 nm to 6 {micro}m) and shows a continuous pattern of behavior. For all materials studied, the strength varied as {lambda}{sup -1}, where {lambda} is the subgrain size. Strengthening from subgrains was found to breakdown at a much smaller subgrain size than strengthening from grains. In addition, the ball-milled materials showed significant strengthening contributions from nano-scale oxide particles. Shear bands are developed during testing of ball-milled materials containing ultra-fine subgrains. A model for shear band development in nano-scale subgrains during deformation has also been developed. The model predicts a strain state of uniaxial compression in the shear band with a strain of -1.24. Subgrains are shown to offer the opportunity for high strength and good work hardening with the absence of yield …

Density functional theory (DFT), in conjunction with the fixed-spin-moment (FSM) method, spin-orbit coupling (SO), and orbital polarization (OP), is shown to retain key features of the conventional DFT treatment of {delta}-Pu while at the same time not producing the substantial net magnetic moments commonly predicted by this theory. It is shown that when a small adjustment of the spin moment (less than 20%) is allowed, a complete spin- and orbital-moment cancellation occurs which results in a zero net magnetic moment in {delta}-Pu. This minor modification, accomplished by the FSM method, is shown to have a very small effect on the calculated total energy as well as the electron density-of-states (DOS). The photoemission spectra (PES), obtained from the DOS of the present model, compares equal or better to measured spectra, than that of two other recent non-magnetic models for {delta}-Pu.

Experimental data indicates that the limiting crack speed in brittle materials is less than the Rayleigh wave speed. One reason for this is that dynamic instabilities produce surface roughness and microcracks that branch from the main crack. These processes increase dissipation near the crack tip over a range of crack speeds. When the scale of observation (or mesh resolution) becomes much larger than the typical sizes of these features, effective-medium theories are required to predict the coarse-grained fracture dynamics. Two approaches to modeling these phenomena are described and used in numerical simulations. The first approach is based on cohesive elements that utilize a rate-dependent weakening law for the nodal cohesive forces. The second approach uses a continuum damage model which has a weakening effect that lowers the effective Rayleigh wave speed in the material surrounding the crack tip. Simulations in this paper show that while both models are capable of increasing the energy dissipated during fracture when the mesh size is larger than the process zone size, only the continuum damage model is able to limit the crack speed over a range of applied loads. Numerical simulations of straight-running cracks demonstrate good agreement between the theoretical predictions of the combined …