We report Raman and infrared absorption spectroscopy alongwith X-ray diffraction for brucite-type beta-Cd(OH)2 to 28 GPa at 300 K.The OH-stretching modes soften with pressure and disappear at 21 GPa withtheir widths increasing rapidly above 5 GPa, consistent with a gradualdisordering of the H sublattice at 5 20 GPa similar to that previouslyobserved for Co(OH)2.Asymmetry in the peak shapes of the OH-stretchingmodes suggests the existence of diverse disordered sitesfor H atoms inCd(OH)2 under pressure. Above 15 GPa, the A1g(T) lattice mode showsnon-linear behavior and softens to 21 GPa, at which pressure significantchanges are observed: new Raman modes appear, two Raman-active latticemodes and the OH-stretching modes of the low-pressure phase disappears,and the positions of some X-ray diffraction lines change abruptly withthe appearance of weak new diffraction features. These observationssuggest that amorphization of the H sublattice is accompanied by acrystalline-to-crystalline transition at 21 GPa in Cd(OH)2, which has notbeen previously observed in the brucite-type hydroxides. The Ramanspectra of the high-pressure phase of Cd(OH)2 is similar to those of thehigh-pressure phase of single-crystal Ca(OH)2 of which structure has beententatively assigned to the Sr(OH)2 type.

The purpose of this study is to design, fabricate and optimize microfluidic mixers to investigate the kinetics of protein secondary structure formation with Synchrotron Radiation Circular Dichroism (SRCD) spectroscopy. The mixers are designed to rapidly initiate protein folding reaction through the dilution of denaturant. The devices are fabricated out of fused silica, so that they are transparent in the UV. We present characterization of mixing in the fabricated devices, as well as the initial SRCD data on proteins inside the mixers.

Tritium movement and accumulation in the Next Generation Nuclear Plant (NGNP) employing either a high-temperature electrolysis (HTE) process or a thermochemical water-splitting Sulfur-Iodine (SI) process to produce hydrogen is estimated by a numerical code, THYTAN, as a function of design, operational and material parameters. Estimated tritium concentrations in the hydrogen product and in the process chemicals of the hydrogen plant using the HTE process are slightly higher than the limit in drinking water defined by the U.S. Environmental Protection Agency (EPA) and in effluent at the boundary of an unrestricted area defined by the U.S. Nuclear Regulatory Commission (NRC), respectively. Estimated tritium concentrations in the NGNP using the SI hydrogen production process are significantly higher, and are largely affected by undetermined parameters (i.e., tritium permeability of heat exchanger materials, hydrogen concentration in the helium energy transport fluids, equilibrium constant of the tritium isotope exchange reaction between HT and H{sub 2}SO{sub 4}). These parameters should be measured or estimated in the near future, as should the tritium generation and release rate from the NGNP nuclear reactor core. Decreasing the tritium permeation rate between the primary and secondary heat transport circuits is an effective measure to decrease the tritium concentrations in the …

An optical spectroscopy approach is demonstrated allowing for critical parameters during RF ablation of cardiac tissue to be evaluated in real time. The method is based on incorporating in a typical ablation catheter transmitting and receiving fibers that terminate at the tip of the catheter. By analyzing the spectral characteristics of the NIR diffusely reflected light, information is obtained on such parameters as, catheter-tissue proximity, lesion formation, depth of penetration of the lesion, formation of char during the ablation, formation of coagulum around the ablation site, differentiation of ablated from healthy tissue, and recognition of micro-bubble formation in the tissue.

This study investigates whether probabilistic ozone forecasts from an ensemble can be made with skill; i.e., high verification resolution and reliability. Twenty-eight ozone forecasts were generated over the Lower Fraser Valley, British Columbia, Canada, for the 5-day period 11-15 August 2004, and compared with 1-hour averaged measurements of ozone concentrations at five stations. The forecasts were obtained by driving the CMAQ model with four meteorological forecasts and seven emission scenarios: a control run, {+-} 50% NO{sub x}, {+-} 50% VOC, and {+-} 50% NO{sub x} combined with VOC. Probabilistic forecast quality is verified using relative operating characteristic curves, Talagrand diagrams, and a new reliability index. Results show that both meteorology and emission perturbations are needed to have a skillful probabilistic forecast system--the meteorology perturbation is important to capture the ozone temporal and spatial distribution, and the emission perturbation is needed to span the range of ozone-concentration magnitudes. Emission perturbations are more important than meteorology perturbations for capturing the likelihood of high ozone concentrations. Perturbations involving NO{sub x} resulted in a more skillful probabilistic forecast for the episode analyzed, and therefore the 50% perturbation values appears to span much of the emission uncertainty for this case. All of the ensembles analyzed …

Temporary trapping of atomic xenon in functionalized cryptophane cages makes the high sensitivity of hyperpolarized (hp) 129Xe available for highly specific NMR detection of biomolecules like proteins in solution. Here, we study the signal transfer onto a reservoir of unbound hp xenon by gating the residence time of the nuclei in the cage through the temperature-dependent exchange rate. Temperature changes were detectable immediately as an altered reservoir signal and yielded a sensitivity of 0.6 K. The temperature response is adjustable with lower concentrations of caged xenon providing more sensitivity at higher temperatures and allows ultra-sensitive detection of such molecular cages at 310 K. Functionalized cryptophane could be detected at concentrations as low as 10nM which corresponds to a 4000-fold sensitivity enhancement compared to conventional detection. This sensitivity makes hp-NMR capable of detecting such constructs in concentrations far belowthe detection limit by UV-visible light absorbance.

An algorithm was developed for the two-dimensional (2D) reconstruction of truncated and non-truncated uniformly attenuated data acquired from single photon emission computed tomography (SPECT). The algorithm is able to reconstruct data from half-scan (180o) and short-scan (180?+fan angle) acquisitions for parallel- and fan-beam geometries, respectively, as well as data from full-scan (360o) acquisitions. The algorithm is a derivative, backprojection, and Hilbert transform (DBH) method, which involves the backprojection of differentiated projection data followed by an inversion of the finite weighted Hilbert transform. The kernel of the inverse weighted Hilbert transform is solved numerically using matrix inversion. Numerical simulations confirm that the DBH method provides accurate reconstructions from half-scan and short-scan data, even when there is truncation. However, as the attenuation increases, finer data sampling is required.

Kalman filtering (KF) is used to postprocess numerical-model output to estimate systematic errors in surface ozone forecasts. It is implemented with a recursive algorithm that updates its estimate of future ozone-concentration bias by using past forecasts and observations. KF performance is tested for three types of ozone forecasts: deterministic, ensemble-averaged, and probabilistic forecasts. Eight photochemical models were run for 56 days during summer 2004 over northeastern USA and southern Canada as part of the International Consortium for Atmospheric Research on Transport and Transformation New England Air Quality (AQ) Study. The raw and KF-corrected predictions are compared with ozone measurements from the Aerometric Information Retrieval Now data set, which includes roughly 360 surface stations. The completeness of the data set allowed a thorough sensitivity test of key KF parameters. It is found that the KF improves forecasts of ozone-concentration magnitude and the ability to predict rare events, both for deterministic and ensemble-averaged forecasts. It also improves the ability to predict the daily maximum ozone concentration, and reduces the time lag between the forecast and observed maxima. For this case study, KF considerably improves the predictive skill of probabilistic forecasts of ozone concentration greater than thresholds of 10 to 50 ppbv, but …

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With the advent of large dedicated Type Ia supernova (SN Ia) surveys, K-corrections of SNe Ia and their uncertainties have become especially important in the determination of cosmological parameters. While K-corrections are largely driven by SN Ia broadband colors, it is shown here that the diversity in spectral features of SNe Ia can also be important. For an individual observation, the statistical errors from the inhomogeneity in spectral features range from 0.01 (where the observed and rest-frame filters are aligned) to 0.04 (where the observed and rest-frame filters are misaligned). To minimize the systematic errors caused by an assumed SN Ia spectral energy distribution (SED), we outline a prescription for deriving a mean spectral template time series that incorporates a large and heterogeneous sample of observed spectra. We then remove the effects of broadband colors and measure the remaining uncertainties in the K-corrections associated with the diversity in spectral features. Finally, we present a template spectroscopic sequence near maximum light for further improvement on the K-correction estimate. A library of ~;;600 observed spectra of ~;;100 SNe Ia from heterogeneous sources is used for the analysis.

A linear array of four small biased electrodes was installed in NSTX in an attempt to control the width of the scrape-off layer (SOL) by creating a strong local poloidal electric field. The set of electrodes were separated poloidally by a 1 cm gap between electrodes and were located slightly below the midplane of NSTX, 1 cm behind the RF antenna and oriented so that each electrode is facing approximately normal to the magnetic field. Each electrode can be independently biased to ±100 volts. Present power supplies limit the current on two electrodes to 30 amps the other two to 10 amps each. The effect of local biasing was measured with a set of Langmuir probes placed between the electrodes and another set extending radially outward from the electrodes, and also by the gas puff imaging diagnostic (GPI) located 1 m away along the magnetic field lines intersecting the electrodes. Two fast cameras were also aimed directly at the electrode array. The hardware and controls of the biasing experiment will be presented and the initial effects on local plasma parameters will be discussed.

Compared to conventional particle accelerators, plasmas can sustain accelerating fields that are thousands of times higher. To exploit this ability, massively parallel SciDAC particle simulations provide physical insight into the development of next-generation accelerators that use laser-driven plasma waves. These plasma-based accelerators offer a path to more compact, ultra-fast particle and radiation sources for probing the subatomic world, for studying new materials and new technologies, and for medical applications.

A 28 GHz electron cyclotron heating (ECH) and electron Bernstein wave heating (EBWH) system has been proposed for installation on the National Spherical Torus Experiment (NSTX). A 350 kW gyrotron connected to a fixed horn antenna is proposed for ECH-assisted solenoid-free plasma startup. Modeling predicts strong first pass on-axis EC absorption, even for low electron temperature, Te ~ 20 eV, Coaxial Helicity Injection (CHI) startup plasmas. ECH will heat the CHI plasma to Te ~ 300 eV, providing a suitable target plasma for 30 MHz high-harmonic fast wave heating. A second gyrotron and steered O-X-B mirror launcher is proposed for EBWH experiments. Radiometric measurements of thermal EBW emission detected via B-X-O coupling on NSTX support implementation of the proposed system. 80% B-X-O coupling efficiency was measured in L-mode plasmas and 60% B-X-O coupling efficiency was recently measured in H-mode plasmas conditioned with evaporated lithium. Modeling predicts local on-axis EBW heating and current drive using 28 GHz power in β ~ 20% NSTX plasmas should be possible, with current drive efficiencies ~ 40 kA/MW.

The segmental order and dynamics of polymer network chains in a filled, tri-modal silicone foam network have been studied by static 1H Multiple Quantum (MQ) NMR methods to gain insight into the structure property relationships. The foam materials were synthesized with two different types of crosslinks, with functionalities, {phi}, of 4 and near 60. The network chains were composed of distributions of high, low, and medium molecular weight chains. Crosslinking was accomplished by standard acid catalyzed reactions. MQ NMR methods have detected domains with residual dipolar couplings (<{Omega}{sub d}>) of near 4 kRad/s and 1 kRad/s assigned to (a) the shorter polymer chains and chains near the multifunctional (f=60) crosslinking sites and to (b) the longer polymer chains far from these sites. Three structural variables were systematically varied and the mechanical properties via compression and distributions of residual dipolar couplings measured in order to gain insight in to the network structural motifs that contribute significantly to the composite properties. The partitioning of and the average values of the residual dipolar couplings for the two domains were observed to be dependent on formulation variable and provided increased insight into the network structure of these materials which are unavailable from swelling and …

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We present new Chandra and HST data for four gamma-ray blazars selected on the basis of radio morphology with the aim of revealing X-ray and optical emission from their jets at large scales. All the sources have been detected. Spectral Energy Distributions of the large scale jets are obtained as well as new X-ray spectra for the blazar cores. Modeling for each object the core (sub-pc scale) and large-scale ({approx}> 100 kpc) jet SEDs, we derive the properties of the same jet at the two scales. The comparison of speeds and powers at different scales supports a simple scenario for the dynamics and propagation of high power relativistic jets.

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FLASH (Free Electron Laser in Hamburg) is a user facility for a high intensity VUV-light source [1]. The radiation wavelength is tunable in the range from about 40 to 13 nm by changing the electron beam energy from 450 to 700 MeV. The accelerator is also a test facility for the European XFEL (X-ray Free Electron Laser) to be built in Hamburg [2] and the project study ILC (International Linear Collider) [3]. The superconducting TESLA technology is tested at this facility, together with other accelerator components.

The article proposes a scheme to break a catch-22 loop in an optical-figure/wavefont measurement. For instance, to measure the tilt-independent optical-figure of a nominal optical flat at cryogenic temperatures, it requires a cryogenic dewar-window system for a Fizeau interferometer outside the dewar to see through. The issue is: how to calibrate in situ the window system using the yet-to-be-calibrated nominal optical flat, and vice versa, in only one cryogenic cooldown? The proposition includes: (a) interferometric phase-map measurements with the test piece slightly offset in different transverse directions, and (b) for synthesizing the 2-dimensional WDF, an unconventional numerical scheme starting with 1-dimensional bi-direction integration. The numerical scheme helps minimize the non-uniformity in integrated noise-power distribution that results from integrating data, and thus the associated uncorrelated random noise, from raw phase-maps. The numerical scheme represents a new concept specifically for integrating noise-carrying experimental data.

At the Hanford Site, an extensive In Situ Redox Manipulation (ISRM) permeable reactive barrier was installed to prevent chromate from reaching the Columbia River. However, chromium has been detected in several wells, indicating a premature loss of the reductive capacity in the aquifer. Laboratory experiments have been conducted to investigate whether barrier reductive capacity can be enhanced by adding micron-scale zero-valent iron to the high-permeability zones within the aquifer using shear-thinning fluids containing polymers. Porous media were packed in a wedge-shaped flow cell to create either a heterogeneous layered system with a high-permeability zone between two low-permeability zones or a high-permeability channel sur-rounded by low-permeability materials. The injection flow rate, polymer type, polymer concentration, and injected pore volumes were determined based on preliminary short- and long-column experiments. The flow cell experiments indicated that iron concentration enhancements of at least 0.6% (w/w) could be obtained using moderate flow rates and injection of 30 pore volumes. The 0.6% amended Fe0 concentration would provide approximately 20 times the average reductive capacity that is provided by the dithionite-reduced iron in the ISRM barrier. Calculations show that a 1-m-long Fe0 amended zone with an average concentration of 0.6% w/w iron subject to a groundwater velocity …

Magnetization, specific heat, and electrical resistivity measurements were made on single crystals of the filled skutterudite compound PrOs{sub 4}As{sub 12}. Specific heat measurements indicate an electronic specific heat coefficient {gamma} {approx} 50-200 mJ/mol K{sup 2} at temperatures 10 K {le} T {le} 18 K, and {approx} 1 J/mol K{sup 2} for t {le} 1.6 K. Magnetization, specific heat, and electrical resistivity measurements reveal the presence of two, or possibly three, ordered phases at temperatures below {approx} 2.3 K and in fields below {approx} 3 T. The low temperature phase displays antiferromagnetic characteristics, while the nature of the ordering in the other phase(s) has yet to be determined.

The central goal of our work is to combine semiconductor nanotechnology and surface functionalization in order to build platforms for the selective detection of bio-organisms ranging in size from bacteria (micron range) down to viruses, as well as for the detection of chemical agents (nanometer range). We will show on three porous silicon platforms how pore geometry and pore wall chemistry can be combined and optimized to capture and detect specific targets. We developed a synthetic route allowing to directly anchor proteins on silicon surfaces and illustrated the relevance of this technique by immobilizing live enzymes onto electrochemically etched luminescent nano-porous silicon. The powerful association of the specific enzymes with the transducing matrix led to a selective hybrid platform for chemical sensing. We also used light-assisted electrochemistry to produce periodic arrays of through pores on pre-patterned silicon membranes with controlled diameters ranging from many microns down to tens of nanometers. We demonstrated the first covalently functionalized silicon membranes and illustrated their selective capture abilities with antibody-coated micro-beads. These engineered membranes are extremely versatile and could be adapted to specifically recognize the external fingerprints (size and coat composition) of target bio-organisms. Finally, we fabricated locally functionalized single nanopores using a combination …

Binary Pt/Pd nanoparticles were synthesized by localized overgrowth of Pd on cubic Pt seeds for the investigation of electrocatalytic formic acid oxidation. The binary particles exhibited much less self-poisoning and a lower activation energy relative to Pt nanocubes, consistent with the single crystal study.

High β plasmas in the National Spherical Torus Experiment (NSTX) operate in the overdense regime, allowing the electron Bernstein wave (EBW) to propagate and be strongly absorbed/emitted at the electron cyclotron resonances. As such, EBWs may provide local electron heating and current drive. For these applications, efficient coupling between the EBWs and electromagnetic waves outside the plasma is needed. Thermal EBW emission (EBE) measurements, via oblique B-X-O double mode conversion, have been used to determine the EBW transmission efficiency for a wide range of plasma conditions on NSTX. Initial EBE measurements in H-mode plasmas exhibited strong emission before the L-H transition, but the emission rapidly decayed after the transition. EBE simulations show that collisional damping of the EBW prior to the mode conversion (MC) layer can significantly reduce the measured EBE for Te < 20 eV, explaining the observations. Lithium evaporation was used to reduce EBE collisional damping near the MC layer. As a result, the measured B-X-O transmission efficiency increased from < 10% (no Li) to 60% (with Li), consistent with EBE simulations.