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We present spin-resolved 2p core level photoemission for the 3d transition metal films of Fe and Co grown on Cu(100). We observe clear spin asymmetry in the main 2p core level photoemission peaks of Fe and Co films consistent with trends in the bulk magnetic moments. The spin polarization can be strongly enhanced, by variation of the experimental geometry, when the photoemission is undertaken with circularly polarized light, indicating that spin-orbit interaction can have a profound in spin polarized photoemission. Further spin polarized photoemission studies using variable circularly polarized light at high photon energies, high flux are indicated, underscoring the value of synchrotron measurements at facilities with increased beam stability.

The toxicity effect of two deleterious elements of arsenic (As) and cadmium (Cd) (individually or in combination) on root elongation of wheat seedlings (Triticum aestivum, L.) were investigated both in hydroponics and in soils freshly spiked with the toxic elements. Median effective concentration (EC{sub 50}) and non-observed effect concentration (NOEC) were used to investigate the toxic thresholds and potencies of the two elements. The EC{sub 50} for As was 0.97 {mu}M in hydroponics and 196 mg {center_dot} kg{sup -1} in soil, and 4.32 {mu}M and 449 mg {center_dot} kg{sup -1} for Cd, respectively. Toxic unit (TU) and additive index (AI) concepts were introduced to determine the combined outcomes, and different behaviors were obtained: synergism in solution culture (EC{sub 50mix} = 0.36 TU{sub mix} and AI: 1.76) and antagonism in soil experiments (EC{sub 50mix} = 1.49 TU{sub mix} and AI: -0.33). Furthermore, the data of soil bioavailable As and Cd can not explain the discrepancy between the results derived from soil and hydroponics experiments.

Newly developed multilayer-based mirrors and optical elements enable the imaging of high-resolution structure and ultrafast dynamics of samples with the soft X-ray free electron laser, FLASH, at DESY in Hamburg. The FLASH free-electron laser (FEL) produces intense ultrashort soft X-ray pulses with more than 10{sup 8} times higher peak brightness as compared with the most advanced synchrotron radiation sources. This allows time-resolved X-ray imaging and holography of nanostructures with a temporal resolution approaching 10 fs, opening up new studies of laser-matter interactions and the dynamics of correlated systems. In addition, the ultrafast pulses can be used to obtain structural data before the onset of radiation damage. This vastly increases the dose that can be used to record images of biological samples and hence improving the resolution of images. The extreme power of the X-ray pulses poses a challenge, and new methods are required to harness them. The methods developed here will also pave the way to imaging at upcoming hard-X-ray FELs. With those sources, atomic-resolution imaging of single uncrystallized macromolecules may become possible. In the first demonstration of ultrafast X-ray imaging at FLASH, a micron-sized test object was illuminated by a single focused coherent FEL pulse (Fig. 1). The coherent …

Studies of radionuclides in the environment have entered a new era with the renaissance of nuclear energy and associated fuel reprocessing, geological disposal of high-level nuclear wastes, and concerns about national security with respect to nuclear non-proliferation. This work presents an overview of anthropogenic radionuclide contamination in the environment, as well as the salient geochemical behavior of important radionuclides. We first discuss the following major anthropogenic sources and current development that contribute to the radionuclide contamination of the environment: (1) nuclear weapons program; (2) nuclear weapons testing; (3) nuclear power plants; (4) commercial fuel reprocessing; (5) geological repository of high-level nuclear wastes, and (6) nuclear accidents. Then, we summarize the geochemical behavior for radionuclides {sup 99}Tc, {sup 129}I, and {sup 237}Np, because of their complex geochemical behavior, long half-lives, and presumably high mobility in the environment. Biogeochemical cycling and environment risk assessment must take into account speciation of these redox-sensitive radionuclides.

This work examined the behavior of vaporous hydrogen peroxide (VHP) in clean, room-scale galvanized steel (GS) and polyvinylchloride-coated steel air ducts, to understand how it might be used to decontaminate larger ventilation systems. VHP injected into the GS duct decreased in concentration along the length of the duct, whereas VHP concentrations in the polyvinylchloride coated duct remained essentially constant, suggesting that VHP decomposed at the GS surface. However, decomposition was reduced at lower temperatures ({approx} 22 C) and higher flow rates ({approx} 80 actual cubic meter per hour). A computational fluid dynamics model incorporating reactive transport was used to estimate surface VHP concentrations where contamination is likely to reside, and also showed how bends encourage VHP decomposition. Use of G. stearothermophilus indicators, in conjunction with model estimates, indicated that a concentration-contact time of {approx} 100 mg/L H{sub 2}O{sub 2}(g){center_dot}min was required to achieve a 6 log reduction of indicator spores in clean GS duct, at 30 C. When VHP is selected for building decontamination, this work suggests the most efficacious strategy may be to decontaminate GS ducting separately from the rest of the building, as opposed to a single decontamination event in which the ventilation system is used to distribute …

We report on the progress in our R&D program, targeted to develop the technology for the application of Bi2Sr2CaCu2Ox (Bi-2212) in accelerator magnets. The program uses subscale coils, wound from insulated cables, to study suitable materials, heat treatment homogeneity, stability, and effects of magnetic field and thermal and electro-magnetic loads. We have addressed material and reaction related issues and report on the fabrication, heat treatment, and analysis of subscale Bi-2212 coils. Such coils can carry a current on the order of 5000 A and generate, in various support structures, magnetic fields from 2.6 to 9.9 T. Successful coils are therefore targeted towards a hybrid Nb3Sn-HTS magnet which will demonstrate the feasibility of Bi-2212 for accelerator magnets, and open a new magnetic field realm, beyond what is achievable with Nb3Sn.

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In situ radionuclide migration experiments, followed by excavation and sample characterization, were conducted in a water-conducting shear zone at the Grimsel Test Site (GTS) in Switzerland to study diffusion paths of radionuclides in fractured granite. In this work, we employed a micro-scale mapping technique that interfaces laser ablation sampling with inductively coupled plasma-mass spectrometry (LA/ICP-MS) to measure the fine-scale (micron-range) distribution of actinides ({sup 234}U, {sup 235}U, and {sup 237}Np) in the fracture-granite interface zones. Long-lived {sup 234}U, {sup 235}U, and {sup 237}Np were detected in flow channels, as well as in the adjacent rock matrix, using the sensitive, feature-based mapping of the LA/ICP-MS technique. The injected sorbing actinides are mainly located within the advective flowing fractures and the immediately adjacent regions. The water-conducting fracture studied in this work is bounded on one side by mylonite and the other by granitic matrix regions. These actinides did not penetrate into the mylonite side as much as the relatively higher-porosity granite matrix, most likely due to the low porosity, hydraulic conductivity, and diffusivity of the fracture wall (a thickness of about 0.4 mm separates the mylonite region from the fracture) and the mylonite region itself. Overall, the maximum penetration depth detected with …

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Characterizing and classifying molecular variation within biological samples is critical for determining fundamental mechanisms of biological processes that will lead to new insights including improved disease understanding. Towards these ends, time-of-flight secondary ion mass spectrometry (ToF-SIMS) was used to examine increasingly complex samples of biological relevance, including monosaccharide isomers, pure proteins, complex protein mixtures, and mouse embryo tissues. The complex mass spectral data sets produced were analyzed using five common statistical and chemometric multivariate analysis techniques: principal component analysis (PCA), linear discriminant analysis (LDA), partial least squares discriminant analysis (PLSDA), soft independent modeling of class analogy (SIMCA), and decision tree analysis by recursive partitioning. PCA was found to be a valuable first step in multivariate analysis, providing insight both into the relative groupings of samples and into the molecular basis for those groupings. For the monosaccharides, pure proteins and protein mixture samples, all of LDA, PLSDA, and SIMCA were found to produce excellent classification given a sufficient number of compound variables calculated. For the mouse embryo tissues, however, SIMCA did not produce as accurate a classification. The decision tree analysis was found to be the least successful for all the data sets, providing neither as accurate a classification nor chemical …

The contamination of optical surfaces by irradiation shortens optics lifetime and is one of the main concerns for optics used in conjunction with intense light sources, such as high power lasers, 3rd and 4th generation synchrotron sources or plasma sources used in extreme ultraviolet lithography (EUVL) tools. This paper focuses on properties and surface chemistry of different materials, which as thin layers, could be used as capping layers to protect and extend EUVL optics lifetime. The most promising candidates include single element materials such as ruthenium and rhodium, and oxides such as TiO{sub 2} and ZrO{sub 2}.

We have performed extensive ab initio and classical MD simulations of benzene in water in order to examine the unique solvation structures that are formed. Qualitative differences between classical and ab initio MD simulations are found and the importance of various technical simulation parameters is examined. Our comparison indicates that non-polarizable classical models are not capable of describing the solute-water interface correctly if local interactions become energetically comparable to water hydrogen bonds. In addition, a comparison is made between a rigid water model and fully flexible water within ab initio MD simulations which shows that both models agree qualitatively for this challenging system.

Recent DIII-D [J.L. Luxon, et al., Nucl. Fusion 43, 1813 (2003)] experiments show a correlation between the extent of overlap of magnetic islands induced in the edge plasma by perturbation coils and complete suppression of Type-I edge localized modes (ELMs) in plasmas with ITER-like electron pedestal collisionality {nu}*{sub e} {approx} 0.1, flux surface shape and low edge safety factor (q{sub 95} {approx} 3.6). With fixed n = 3 resonant magnetic perturbation (RMP) strength, ELM suppression is obtained only in a finite window in the edge safety factor (q{sub 95}) consistent with maximizing the resonant component of the applied helical field. ELM suppression is obtained over an increasing range of q{sub 95} by either increasing the n = 3 RMP strength, or by adding n = 1 perturbations to 'fill in' gaps between islands across the edge plasma. The suppression of Type-I ELMs correlates with a minimum width of the edge region having magnetic islands with Chirikov parameter >1.0, based on vacuum calculations of RMP mode components excluding the plasma response or rotational shielding. The fraction of vacuum magnetic field lines that are lost from the plasma, with connection length to the divertor targets comparable to an electron-ion collisional mean free …

Characterizing chemical changes within single cells is important for determining fundamental mechanisms of biological processes that will lead to new biological insights and improved disease understanding. Imaging biological systems with mass spectrometry (MS) has gained popularity in recent years as a method for creating precise chemical maps of biological samples. In order to obtain high-quality mass spectral images that provide relevant molecular information about individual cells, samples must be prepared so that salts and other cell-culture components are removed from the cell surface and the cell contents are rendered accessible to the desorption beam. We have designed a cellular preparation protocol for imaging MS that preserves the cellular contents for investigation and removes the majority of the interfering species from the extracellular matrix. Using this method, we obtain excellent imaging results and reproducibility in three diverse cell types: MCF7 human breast cancer cells, Madin-Darby canine kidney (MDCK) cells, and NIH/3T3 mouse fibroblasts. This preparation technique allows routine imaging MS analysis of cultured cells, allowing for any number of experiments aimed at furthering scientific understanding of molecular processes within individual cells.

Using detailed simulation and analytical models, the exposure time is estimated for serial crystallography, where hydrated laser-aligned proteins are sprayed across a continuous synchrotron beam. The resolution of X-ray diffraction microscopy is limited by the maximum dose that can be delivered prior to sample damage. In the proposed Serial Crystallography method, the damage problem is addressed by distributing the total dose over many identical hydrated macromolecules running continuously in a single-file train across a continuous X-ray beam, and resolution is then limited only by the available fluxes of molecules and X-rays. Orientation of the diffracting molecules is achieved by laser alignment. We evaluate the incident X-ray fluence (energy/area) required to obtain a given resolution from (1) an analytical model, giving the count rate at the maximum scattering angle for a model protein, (2) explicit simulation of diffraction patterns for a GroEL-GroES protein complex, and (3) the frequency cut off of the transfer function following iterative solution of the phase problem, and reconstruction of a density map in the projection approximation. These calculations include counting shot noise and multiple starts of the phasing algorithm. The results indicate the number of proteins needed within the beam at any instant for a given …

The SEMATECH Berkeley Actinic Inspection Tool (AIT) is a dual-mode, scanning and imaging extreme-ultraviolet (EUV) microscope designed for pre-commercial EUV mask research. Dramatic improvements in image quality have been made by the replacement of several critical optical elements, and the introduction of scanning illumination to improve uniformity and contrast. We report high quality actinic EUV mask imaging with resolutions as low as 100-nm half-pitch, (20-nm, 5x wafer equivalent size), and an assessment of the imaging performance based on several metrics. Modulation transfer function (MTF) measurements show high contrast imaging for features sizes close to the diffraction-limit. An investigation of the illumination coherence shows that AIT imaging is much more coherent than previously anticipated, with {sigma} below 0.2. Flare measurements with several line-widths show a flare contribution on the order of 2-3% relative intensity in dark regions above the 1.3% absorber reflectivity on the test mask used for these experiments. Astigmatism coupled with focal plane tilt are the dominant aberrations we have observed. The AIT routinely records 250-350 high-quality images in numerous through-focus series per 8-hour shift. Typical exposure times range from 0.5 seconds during alignment, to approximately 20 seconds for high-resolution images.

We describe a camera to record coherent scattering patterns with a soft-X-ray free-electron laser. The camera consists of a laterally-graded multilayer mirror which reflects the diffraction pattern onto a CCD detector. The mirror acts as a bandpass filter both for wavelength and angle, which isolates the desired scattering pattern from non-sample scattering or incoherent emission from the sample. The mirror also solves the particular problem of the extreme intensity of the FEL pulses, which are focused to greater than 10{sup 14} W/cm{sup 2}. The strong undiffracted pulse passes through a hole in the mirror and propagates on to a beam dump at a distance behind the instrument rather than interacting with a beamstop placed near the CCD. The camera concept is extendable for the full range of the fundamental wavelength of the FLASH FEL (i.e. between 6 nm and 60 nm) and into the water window. We have fabricated and tested various multilayer mirrors for wavelengths of 32 nm, 16 nm, 13.5 nm, and 4.5 nm. At the shorter wavelengths mirror roughness must be minimized to reduce scattering from the mirror. We have recorded over 30,000 diffraction patterns at the FLASH free-electron laser with no observable mirror damage or degradation …

The ordering of liquid crystalline polymer fiber during heat treatment is of great interest for many commercial reasons. This is because, by convention, fiber property can be greatly improved by heat-treatment at below the melting temperature and often such processing conditions are also very complex. There are many variations of such treatments, in terms of temperature, exposure time and whether the fibers are under tension or not. The state-of-the-art technology will be to optimize the desired property without significantly enhancing the undesired properties. The types of heat treatment are highly correlated to the understanding of the mechanism of improving the properties at the molecular level and the microstructures. Using WAXS and synchrotron SAXS techniques, the structure and morphology of our commercial LCP (liquid crystalline polymer), a co-polymer of CO (Vectran) and its variant polymer fiber COTHBP are being examined. Both fibers have the typical liquid crystalline polymer structure, ie, highly ordered across the fiber axis and aperiodic sequencing along the fiber axis. Physical testing has revealed a three fold increase in strength in both fibers, however, the modulus is observed to increase significantly in COTBP and not so much CO. This paper reports on the changes and the differences on …

We have applied ambient-pressure x-ray photoelectron spectroscopy with Si 2p chemical shifts to study the real-time dry oxidation of Si(100), using pressures in the range of 0.01-1 Torr and temperatures of 300-530 oC, and examining the oxide thickness range from 0 to ~;;25 Angstrom. The oxidation rate is initially very high (with rates of up to ~;;225 Angstrom/h) and then, after a certain initial thickness of the oxide in the range of 6-22 Angstrom is formed, decreases to a slow state (with rates of ~;;1.5-4.0 Angstrom/h). Neither the rapid nor the slow regime is explained by the standard Deal-Grove model for Si oxidation.

The paper reviews the results from tokamak experiments for the line ratios x/w, y/w, and z/w from helium-like ions with Z in the range from 14 to 28. With exception of the DITE experiments, where these line ratios were found to be in agreement with theoretical predictions, all other tokamak experiments yielded values that were significantly larger than predicted. The reasons for these discrepancies are not yet understood. It is possible that radial profile effects were not properly taken into account in the majority of the tokamak experiments. The paper also gives a short historical review of the X-ray diagnostic developments and also presents very recent data from a new type of X-ray imaging crystal spectrometer, which records spatially resolved spectra with a spatial resolution of about 1 cm in the plasma. These new data can be Abel inverted, so that it will be possible to determine line ratios at each radial position in the plasma. Effects of radial profiles, which may have affected the chord-integrated measurements of the past, will thus be eliminated in the future.

CoCrPt alloy thin film is one of the most promising candidates for ultrahigh density magnetic recording media. One of interesting issues for an application of ferromagnetic thin film to high density magnetic recording media is to investigate growth stress, since stress inevitably generated during thin film fabrication drastically alters magnetic properties as well as mechanical properties due to film fracture and buckling [1]. However, sufficient studies have not been addressed on in situ experimental investigation on stress evolution during film growth of magnetic thin film and its correlation with directly observed film growth structure. We have investigated in situ stress evolution of 400-{angstrom} (Co{sub 82}Cr{sub 18}){sub 100-x}Pt{sub x}/1100-{angstrom} Ti alloy films with varying Pt concentration by means of an ultrahigh vacuum (UHV) chamber equipped with a highly sensitive optical deflection-detecting system [2]. Interestingly enough, the stress evolution patterns during the film deposition are remarkably changed with varying the Pt concentration. CoCrPt alloy films with lower Pt concentration (6 {le} x {le} 13) grow through compressive, tensile, and again compressive stress during film deposition, while CoCrPt alloy films with higher Pt concentration (21 {le} x {le} 28) develop with compressive and relaxed compressive stress without tensile stress generation. In situ stress-evolution …

Two modifications of the perturbative doubles correction to configuration interaction with single substitutions (CIS(D)) are suggested, which are excited state analogs of ground state scaled second order Moeller-Plesset (MP2) methods. The first approach employs two parameters to scale the two spin components of the direct term of CIS(D), starting from the two-parameter spin-component scaled (SCS) MP2 ground state, and is termed SCS-CIS(D). An efficient resolution-of-the-identity (RI) implementation of this approach is described. The second approach employs a single parameter to scale only the opposite-spin direct term of CIS(D), starting from the one-parameter scaled opposite spin (SOS) MP2 ground state, and is called SOS-CIS(D). By utilizing auxiliary basis expansions and a Laplace transform, a fourth order algorithm for SOS-CIS(D) is described and implemented. The parameters describing SCS-CIS(D) and SOS-CIS(D) are optimized based on a training set including valence excitations of various organic molecules and Rydberg transitions of water and ammonia, and they significantly improve upon CIS(D) itself. The accuracy of the two methods is found to be comparable. This arises from a strong correlation between the same-spin and opposite-spin portions of the excitation energy terms. The methods are successfully applied to the zincbacteriochlorin-bacteriochlorin charge transfer transition, for which time-dependent density functional …

Few-cycle THz pulses are employed to resonantly access the internal fine structure of photogenerated excitons in semiconductors, on the femtosecond time scale. This technique allows us to gain novel insight into many-body effects of excitons and reveal key quantum optical processes. We discuss experiments that monitor the density-dependent re?normalization of the binding energy of a high-density exciton gas in GaAs/AlGaAs quantum wells close to the Mott transition. In a dilute ensemble of 3p excitons in Cu2O, stimulated THz emission from internal transitions to the energetically lower 2s state is observed at a photon energy of 6.6 meV, with a cross section of 10-14 cm2. Simultaneous interband excitation of both exciton levels drives quantum beats, which cause efficient THz emission at the difference frequency. By extending this principle to various other exciton resonances, we develop a novel way of mapping the fine structure by two-dimensional THz emission spectroscopy.