In the title molecule, C₂₀H₁₇Cl₂NO, the central heterocyclic ring adopts a flattened boat conformation.

This study is a simple comparison of high-level waste from plutonium production stored in tanks at the Hanford and Savannah River sites. Savannah River principally used the PUREX process for plutonium separation. Hanford used the PUREX, Bismuth Phosphate, and REDOX processes, and reprocessed many wastes for recovery of uranium and fission products. Thus, Hanford has 55 distinct waste types, only 17 of which could be at Savannah River. While Hanford and Savannah River wastes both have high concentrations of sodium nitrate, caustic, iron, and aluminum, Hanford wastes have higher concentrations of several key constituents. The factors by which average concentrations are higher in Hanford salt waste than in Savannah River waste are 67 for {sup 241}Am, 4 for aluminum, 18 for chromium, 10 for fluoride, 8 for phosphate, 6 for potassium, and 2 for sulfate. The factors by which average concentrations are higher in Hanford sludges than in Savannah River sludges are 3 for chromium, 19 for fluoride, 67 for phosphate, and 6 for zirconium. Waste composition differences must be considered before a waste processing method is selected: A method may be applicable to one site but not to the other.

The Savannah River Site (SRS) tritium facilities have used 1st generation (Gen1) metal hydride storage bed assemblies with process vessels (PVs) fabricated from 3 inch nominal pipe size (NPS) pipe to hold up to 12.6 kg of LaNi{sub 4.25}Al{sub 0.75} metal hydride for tritium gas absorption, storage, and desorption for over 15 years. The 2nd generation (Gen2) of the bed design used the same NPS for the PV, but the added internal components produced a bed nominally 1.2 m long, and presented a significant challenge for heater cartridge replacement in a footprint limited glove-box. A prototype 3rd generation (Gen3) metal hydride storage bed has been designed and fabricated as a replacement candidate for the Gen2 storage bed. The prototype Gen3 bed uses a PV pipe diameter of 4 inch NPS so the bed length can be reduced below 0.7 m to facilitate heater cartridge replacement. For the Gen3 prototype bed, modeling results show increased absorption rates when using hydrides with lower absorption pressures. To improve absorption performance compared to the Gen2 beds, a LaNi{sub 4.15}Al{sub 0.85} material was procured and processed to obtain the desired pressure-composition-temperature (PCT) properties. Other bed design improvements are also presented.

A technique has been developed to accurately align a laser beam through a plasma channel by minimizing the shift in laser centroid and angle at the channel outptut. If only the shift in centroid or angle is measured, then accurate alignment is provided by minimizing laser centroid motion at the channel exit as the channel properties are scanned. The improvement in alignment accuracy provided by this technique is important for minimizing electron beam pointing errors in laser plasma accelerators.

The NDCX-II accelerator for target heating experiments has been designed to use a large diameter ({approx_equal} 10.9 cm) Li{sup +} doped alumino-silicate source with a pulse duration of 0.5 {micro}s, and beam current of {approx_equal} 93 mA. Characterization of a prototype lithium alumino-silicate sources is presented. Using 6.35mm diameter prototype emitters (coated on a {approx_equal} 75% porous tungsten substrate), at a temperature of {approx_equal} 1275 C, a space-charge limited Li{sup +} beam current density of {approx_equal} 1 mA/cm{sup 2} was measured. At higher extraction voltage, the source is emission limited at around {approx_equal} 1.5 mA/cm{sup 2}, weakly dependent on the applied voltage. The lifetime of the ion source is {approx_equal} 50 hours while pulsing the extraction voltage at 2 to 3 times per minute. Measurements show that the life time of the ion source does not depend only on beam current extraction, and lithium loss may be dominated by neutral loss or by evaporation. The life time of a source is around {ge} 10 hours in a DC mode extraction, and the extracted charge is {approx_equal} 75% of the available Li in the sample. It is inferred that pulsed heating may increase the life time of a source.

The Next Generation Light Source (NGLS) is a design concept, under development at LBNL, for a multibeamline soft x-ray FEL array powered by a ~;;2 GeV superconducting linear accelerator, operating with a 1 MHz bunch repetition rate. The CW superconducting linear accelerator is supplied by a high-brightness, highrepetition- rate photocathode electron gun. Electron bunches are distributed from the linac to the array of independently configurable FEL beamlines with nominal bunch rates up to 100 kHz in each FEL, and with even pulse spacing. Individual FELs may be configured for EEHG, HGHG, SASE, or oscillator mode of operation, and will produce high peak and average brightness x-rays with a flexible pulse format, with pulse durations ranging from sub-femtoseconds to hundreds of femtoseconds.

We describe the data analysis procedures for an emerging interferometric technique for measuring motion across a two-dimensional image at a moment in time, i.e. a snapshot 2d-VISAR. Velocity interferometers (VISAR) measuring target motion to high precision have been an important diagnostic in shockwave physics for many years Until recently, this diagnostic has been limited to measuring motion at points or lines across a target. We introduce an emerging interferometric technique for measuring motion across a two-dimensional image, which could be called a snapshot 2d-VISAR. If a sufficiently fast movie camera technology existed, it could be placed behind a traditional VISAR optical system and record a 2d image vs time. But since that technology is not yet available, we use a CCD detector to record a single 2d image, with the pulsed nature of the illumination providing the time resolution. Consequently, since we are using pulsed illumination having a coherence length shorter than the VISAR interferometer delay ({approx}0.1 ns), we must use the white light velocimetry configuration to produce fringes with significant visibility. In this scheme, two interferometers (illuminating, detecting) having nearly identical delays are used in series, with one before the target and one after. This produces fringes with at …

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Ras Labs produces contractile electroactive polymer (EAP) based materials and actuators that bend, swell, ripple, and contract (new development) with low electric input. In addition, Ras Labs produces EAP materials that quickly contract and expand, repeatedly, by reversing the polarity of the electric input, which can be cycled. This phenomenon was explored using molecular modeling, followed by experimentation. Applied voltage step functions were also investigated. High voltage steps followed by low voltage steps produced a larger contraction followed by a smaller contraction. Actuator control by simply adjusting the electric input is extremely useful for biomimetic applications. Muscles are able to partially contract. If muscles could only completely contract, nobody could hold an egg, for example, without breaking it. A combination of high and low voltage step functions could produce gross motor function and fine manipulation within the same actuator unit. Plasma treated electrodes with various geometries were investigated as a means of providing for more durable actuation.

We summarize recent significant progress in the development of a first-principles formalism to describe the formation and evolution of matter in very high energy heavy ion collisions. The key role of quantum fluctuations both before and after a collision is emphasized. Systematic computations are now feasible to address early time isotropization, flow, parton energy loss and the Chiral Magnetic Effect.

Residential thermostats play a key role in controlling heating and cooling systems. Occupants often find the controls of programmable thermostats confusing, sometimes leading to higher heating consumption than when the buildings are controlled manually. A high degree of usability is vital to a programmable thermostat's effectiveness because, unlike a more efficient heating system, occupants must engage in specific actions after installation to obtain energy savings. We developed a procedure for measuring the usability of thermostats and tested this methodology with 31 subjects on five thermostats. The procedure requires first identifying representative tasks associated with the device and then testing the subjects ability to accomplish those tasks. The procedure was able to demonstrate the subjects wide ability to accomplish tasks and the influence of a device's usability on success rates. A metric based on the time to accomplish the tasks and the fraction of subjects actually completing the tasks captured the key aspects of each thermostat's usability. The procedure was recently adopted by the Energy Star Program for its thermostat specification. The approach appears suitable for quantifying usability of controls in other products, such as heat pump water heaters and commercial lighting.

Models have been developed to simulate the thermal characteristics of Crystalline Silicotitanate (CST) ion exchange media fully loaded with radioactive cesium in a column configuration and distributed within a waste storage tank. This work was conducted to support the Small Column Ion Exchange (SCIX) program which is focused on processing dissolved, high-sodium salt waste for the removal of specific radionuclides (including Cs-137, Sr-90, and actinides) within a High Level Waste (HLW) storage tank at the Savannah River Site. The SCIX design includes CST columns inserted and supported in the tank top risers for cesium removal. Temperature distributions and maximum temperatures across the column were calculated with a focus on process upset conditions. A two-dimensional computational modeling approach for the in-column ion-exchange domain was taken to include conservative, bounding estimates for key parameters such that the results would provide the maximum centerline temperatures achievable under the design configurations using a feed composition known to promote high cesium loading on CST. The current full-scale design for the CST column includes one central cooling pipe and four outer cooling tubes. Most calculations assumed that the fluid within the column was stagnant (i.e. no buoyancy-induced flow) for a conservative estimate. A primary objective of …

We present an unreported magnetic configuration in epitaxial La{sub 1-x}Sr{sub x}MnO{sub 3} (x {approx} 0.3) (LSMO) films grown on strontium titanate (STO). X-ray magnetic circular dichroism indicates that the remanent magnetic state of thick LSMO films is opposite to the direction of applied magnetic field. Spectroscopic and scattering measurements reveal that the average Mn valence varies from mixed Mn{sup 3+}/Mn{sup 4+} to an enriched Mn{sup 3+} region near the STO interface, resulting in a compressive lattice along a, b-axis and a possible electronic reconstruction in the Mn e{sub g} orbital (d{sub 3z{sup 2}-r{sup 2}}). This reconstruction may provide a mechanism for coupling the Mn{sup 3+} moments antiferromagnetically along the surface normal direction, and in turn may lead to the observed reversed magnetic configuration.

Lithium evaporation onto NSTX plasma facing components (PFC) has resulted in improved energy confinement, and reductions in the number and amplitude of edge-localized modes (ELMs) up to the point of complete ELM suppression. The associated PFC surface chemistry has been investigated with a novel plasma material interface probe connected to an in-vacuo surface analysis station. Analysis has demonstrated that binding of D atoms to the polycrystalline graphite material of the PFCs is fundamentally changed by lithium - in particular deuterium atoms become weakly bonded near lithium atoms themselves bound to either oxygen or the carbon from the underlying material. Surface dust inside NSTX has been detected in real-time using a highly sensitive electrostatic dust detector. In a separate experiment, electrostatic removal of dust via three concentric spiral-shaped electrodes covered by a dielectric and driven by a high voltage 3-phase waveform was evaluated for potential application to fusion reactors

The formation and transport of voids in composite materials remains a key research area in composite manufacturing science. Knowledge of how voids, resin, and fiber reinforcement propagate throughout a composite material continuum from green state to cured state during an automated tape layup process is key to minimizing defects induced by void-initiated stress concentrations under applied loads for a wide variety of composite applications. This paper focuses on modeling resin flow in a deforming fiber tow during an automated process of partially impregnated thermoset prepreg composite material tapes. In this work, a tow unit cell based model has been presented that determines the consolidation and impregnation of a thermoset prepreg tape under an input pressure profile. A parametric study has been performed to characterize the behavior of varying tow speed and compaction forces on the degree of consolidation. Results indicate that increased tow consolidation is achieved with slower tow speeds and higher compaction forces although the relationship is not linear. The overall modeling of this project is motivated to address optimization of the 'green state' composite properties and processing parameters to reduce or eliminate 'cured state' defects, such as porosity and de-lamination. This work is partially funded by the Department …

The formation and transport of voids in composite materials remains a key research area in composite manufacturing science. Knowledge of how voids, resin, and fiber reinforcement propagate throughout a composite material continuum from green state to cured state during an automated tape layup process is key to minimizing defects induced by void-initiated stress concentrations under applied loads for a wide variety of composite applications. This paper focuses on modeling resin flow in a deforming fiber tow during an automated process of partially impregnated thermoset prepreg composite material tapes. In this work, a tow unit cell based model has been presented that determines the consolidation and impregnation of a thermoset prepreg tape under an input pressure profile. A parametric study has been performed to characterize the behavior of varying tow speed and compaction forces on the degree of consolidation. Results indicate that increased tow consolidation is achieved with slower tow speeds and higher compaction forces although the relationship is not linear. The overall modeling of this project is motivated to address optimization of the 'green state' composite properties and processing parameters to reduce or eliminate 'cured state' defects, such as porosity and de-lamination. This work is partially funded by the Department …

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We present angle-resolved photoemission spectroscopy (ARPES) studies of the cuprate high-temperature superconductors which elucidate the relation between superconductivity and the pseudogap and highlight low-energy quasiparticle dynamics in the superconducting state. Our experiments suggest that the pseudogap and superconducting gap represent distinct states, which coexist below T{sub c}. Studies on Bi-2212 demonstrate that the near-nodal and near-antinodal regions behave differently as a function of temperature and doping, implying that different orders dominate in different momentum-space regions. However, the ubiquity of sharp quasiparticles all around the Fermi surface in Bi-2212 indicates that superconductivity extends into the momentum-space region dominated by the pseudogap, revealing subtlety in this dichotomy. In Bi-2201, the temperature dependence of antinodal spectra reveals particle-hole asymmetry and anomalous spectral broadening, which may constrain the explanation for the pseudogap. Recognizing that electron-boson coupling is an important aspect of cuprate physics, we close with a discussion of the multiple 'kinks' in the nodal dispersion. Understanding these may be important to establishing which excitations are important to superconductivity.

DOE/NNSA NA‐40 was requested to provide support with consequence management activities following the incident at the Fukushima Dai’ichi Nuclear Power Plant. The response involved the deployment of several DOE/NNSA NA‐40 assets to provide specialized capabilities analysts, scientists, doctors, nurses, specialized equipment and systems to characterize the deposition for the protection of the public and the environment. General response activities revolved around the concepts of: predictive modeling; monitoring and data collection from the air and on the ground; assessing the collected data and other relevant information; interpreting the data; and coordinating the communication of the interpreted data to the appropriate stakeholders.

A compact 400-MHz half-wave spoke resonator (HWSR) superconducting crab cavity is being developed for the LHC upgrade. The cavity shape and the LOM/HOM couplers for such a design have been optimized to meet the space and beam dynamics requirements, and satisfactory RF parameters have been obtained. As it is known that multipacting is an issue of concern in a superconducting cavity which may limit the achievable gradient. Thus it is important in the cavity RF design to eliminate the potential MP conditions to save time and cost of cavity development. In this paper, we present the multipacting analysis for the HWSR crab cavity using the Track3P code developed at SLAC, and to discuss means to mitigate potential multipacting barriers. Track3P was used to analyze potential MP in the cavity and the LOM, HOM and FPC couplers. No resonances were found in the LOM couplers and the coaxial beam pipe. Resonant trajectories were identified on various locations in cavity, HOM and FPC couplers. Most of the resonances are not at the peak SEY of Nb. Run-away resonances were identified in broader areas on the cavity end plate and in the HOM coupler. The enhancement counter for run-away resonances does not show …

The input power of accelerator structure is normally fed through a coupling slot(s) on the outer wall of the accelerator structure via magnetic coupling. While providing perfect matching, the coupling slots may produce non-axial-symmetric fields in the coupler cell that can induce emittance growth as the beam is accelerated in such a field. This effect is especially important for low emittance beams at low energies such as in the injector accelerators for light sources. In this paper, we present studies of multipole fields of different rf coupler designs and their effect on beam emittance for an X-band photocathode gun being jointly designed with LLNL, and X-band accelerator structures. We will present symmetrized rf coupler designs for these components to preserve the beam emittance.

The anomalous magnetic moment of the top quark may be measured during the first run of the LHC at 7 TeV. For these measurements, it will be useful to have available tree amplitudes with t{bar t} and arbitrarily many photons and gluons, including both QED and color anomalous magnetic moments. In this paper, we present a method for computing these amplitudes using the Britto-Cachazo-Feng-Witten recursion formula. Because we deal with an effective theory with higher-dimension couplings, there are roadblocks to a direct computation with the Britto-Cachazo-Feng-Witten method. We evade these by using an auxiliary scalar theory to compute a subset of the amplitudes.

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We present a detailed description of the Voronoi Tessellation (VT) cluster finder algorithm in 2+1 dimensions, which improves on past implementations of this technique. The need for cluster finder algorithms able to produce reliable cluster catalogs up to redshift 1 or beyond and down to 10{sup 13.5} solar masses is paramount especially in light of upcoming surveys aiming at cosmological constraints from galaxy cluster number counts. We build the VT in photometric redshift shells and use the two-point correlation function of the galaxies in the field to both determine the density threshold for detection of cluster candidates and to establish their significance. This allows us to detect clusters in a self-consistent way without any assumptions about their astrophysical properties. We apply the VT to mock catalogs which extend to redshift 1.4 reproducing the ?CDM cosmology and the clustering properties observed in the Sloan Digital Sky Survey data. An objective estimate of the cluster selection function in terms of the completeness and purity as a function of mass and redshift is as important as having a reliable cluster finder. We measure these quantities by matching the VT cluster catalog with the mock truth table. We show that the VT can produce …