Article on ab initio transport properties of nanostructures from maximally localized Wannier functions.

We investigate the evolution of structures that result when spherical Cd nanoparticles of a few hundred nanometers in diameter react with dissolved molecular sulfur species in solution to form hollow CdS. Over a wide range of temperatures and concentrations, we find that rapid Cd diffusion through the growing CdS shell localizes the reaction front at the outermost CdS/S interface, leading to hollow particles when all the Cd is consumed. When we examine partially reacted particles, we find that this system differs significantly from others in which the nanoscale Kirkendall effect has been used to create hollow particles. In previously reported systems, partial reaction creates a hollow particle with a spherically symmetric metal core connected to the outer shell by filaments. In contrast, here we obtain a lower symmetry structure, in which the unreacted metal core and the coalesced vacancies separate into two distinct spherical caps, minimizing the metal/void interface. This pattern of void coalescence is likely to occur in situations where the metal/vacancy self-diffusivities in the core are greater than the diffusivity of the cations through the shell.

Round wire Bi 2212 is emerging as a viable successor ofNb3Sn in High Energy Physics and Nuclear Magnetic Resonance, to generatemagnetic fields that surpass the intrinsic limitations of Nb3Sn. Ratherbold claims are made on achievable magnetic fields in applications usingBi 2212, due to the materials' estimated critical magnetic field of 100 Tor higher. High transport currents in high magnetic fields, however, leadto large stress on, and resulting large strain in the superconductor. Theeffect of strain on the critical properties of Bi-2212 is far fromunderstood, and strain is, as with Nb3Sn, often treated as a secondaryparameter in the design of superconducting magnets. Reversibility of thestrain induced change of the critical surface of Nb3Sn, points to anelectronic origin of the observed strain dependence. Record breaking highfield magnets are enabled by virtue of such reversible behavior. Straineffects on the critical surface of Bi-2212, in contrast, are mainlyirreversible and suggest a non-electronic origin of the observed straindependence, which appears to be dominated by the formation of cracks inthe superconductor volumes. A review is presented of available results onthe effects of strain on the critical surface of Bi-2212, Bi-2223 andYBCO. It is shown how a generic behavior emerges for the (axial) straindependence of the critical …

The ability to accurately quantify the intrinsic resolution of chemically amplified photoresists is critical for the optimization of resists for extreme ultraviolet (EUV) Iithography. We have recently reported on two resolution metrics that have been shown to extract resolution numbers consistent with direct observation. In this paper we examine the previously reported contact-hole resolution metric and explore the sensitivity of the metric to potential error sources associated with the experimental side of the resolution extraction process. For EUV exposures at the SEMATECH Berkeley microfield exposure tool, we report a full-process error-bar in extracted resolution of 1.75 nm RMS and verify this result experimentally.

One of the environmental remediation challenges facing the nation is the retrieval and permanent disposal of approximately 90 million gallons of radioactive waste stored in underground tanks at the U. S. Department of Energy (DOE) facilities. The Hanford Site is located in southeastern Washington State and stores roughly 60 percent of this waste. An estimated 53 million gallons of high-level, transuranic, and low-level radioactive waste is stored underground in 149 single-shell tanks (SSTs) and 28 newer double-shell tanks (DSTs) at the Hanford Site. These SSTs range in size from 55,000 gallons to 1,000,000 gallon capacity. Approximately 30 million gallons of this waste is stored in SSTs. The SSTs were constructed between 1943 and 1964 and all have exceeded the nominal 20-year design life. Sixty-seven SSTs are known or suspected to have leaked an estimated 1,000,000 gallons of waste to the surrounding soil. The risk of additional SST leakage has been greatly reduced by removing more than 3 million gallons of interstitial liquids and supernatant and transferring this waste to the DST system. Retrieval of SST saltcake and sludge waste is underway to further reduce risks and stage feed materials for the Hanford Site Waste Treatment Plant. Regulatory requirements for SST …

We identify a third image in the unique quasar lens SDSS J1029+2623, the second known quasar lens produced by a massive cluster of galaxies. The spectrum of the third image shows similar emission and absorption features, but has a redder continuum than the other two images which can be explained by differential extinction or microlensing. We also identify several lensed arcs. Our observations suggest a complicated structure of the lens cluster at z {approx} 0.6. We argue that the three lensed images are produced by a naked cusp on the basis of successful mass models, the distribution of cluster member galaxies, and the shapes and locations of the lensed arcs. Lensing by a naked cusp is quite rare among galaxy-scale lenses but is predicted to be common among large-separation lensed quasars. Thus the discovery can be viewed as support for an important theoretical prediction of the standard cold dark matter model.

Pyridine hydrogenation in the presence of a surface monolayer consisting of cubic Pt nanoparticles stabilized by tetradecyltrimethylammonium bromide (TTAB) was investigated by sum frequency generation (SFG) vibrational spectroscopy using total internal reflection (TIR) geometry. TIR-SFG spectra analysis revealed that a pyridinium cation (C{sub 5}H{sub 5}NH{sup +}) forms during pyridine hydrogenation on the Pt nanoparticle surface, and the NH group in the C{sub 5}H{sub 5}NH{sup +} cation becomes more hydrogen bound with the increase of the temperature. In addition, the surface coverage of the cation decreases with the increase of the temperature. An important contribution of this study is the in situ identification of reaction intermediates adsorbed on the Pt nanoparticle monolayer during pyridine hydrogenation.

The authors designed, implemented and tested cryogenic RF filters with zero DC resistance, based on wires with a superconducting core inside a resistive sheath. The superconducting core allows low frequency currents to pass with negligible dissipation. Signals above the cutoff frequency are dissipated in the resistive part due to their small skin depth. The filters consist of twisted wire pairs shielded with copper tape. Above approximately 1 GHz, the attenuation is exponential in {radical}{omega}, as typical for skin depth based RF filters. By using additional capacitors of 10 nF per line, an attenuation of at least 45 dB above 10 MHz can be obtained. Thus, one single filter stage kept at mixing chamber temperature in a dilution refrigerator is sufficient to attenuate room temperature black body radiation to levels corresponding to 10 mK above about 10 MHz.

The Department of Energy's Hanford Site in southeastern Washington State was established in the 1940s as part of the Manhattan Project. Hanford's role was to produce weapons-grade nuclear material for defense, and by 1989, when the Site's mission changed from operations to cleanup, Hanford had produced more than 60 percent of the nation's plutonium. The legacy of Hanford's production years is enormous in terms of nuclear and hazardous waste, especially the 270 billion gallons of contaminated groundwater and the 5 million cubic yards of contaminated soil. Managing the contaminated soil and groundwater are particularly important because the Columbia River, the lifeblood of the northwest and the nation's eighth largest river, bounds the Site. Fluor Hanford's Soil & Groundwater Remediation Project (S&GRP) integrates all of the activities that deal with remediating and monitoring the groundwater across the Site. The S&GRP uses a detailed series of steps to record, track, and verify information. The Sample and Data Management (SDM) Process consists of 10 integrated steps that start with the data quality objectives process that establishes the mechanism for collecting the right information with the right people. The process ends with data quality assessment, which is used to ensure that all quantitative data …

Access to previous results is of paramount importance in the scientific process. Recent progress in information management focuses on building e-infrastructures for the optimization of the research workflow, through both policy-driven and user-pulled dynamics. For decades, High-Energy Physics (HEP) has pioneered innovative solutions in the field of information management and dissemination. In light of a transforming information environment, it is important to assess the current usage of information resources by researchers and HEP provides a unique test-bed for this assessment. A survey of about 10% of practitioners in the field reveals usage trends and information needs. Community-based services, such as the pioneering arXiv and SPIRES systems, largely answer the need of the scientists, with a limited but increasing fraction of younger users relying on Google. Commercial services offered by publishers or database vendors are essentially unused in the field. The survey offers an insight into the most important features that users require to optimize their research workflow. These results inform the future evolution of information management in HEP and, as these researchers are traditionally 'early adopters' of innovation in scholarly communication, can inspire developments of disciplinary repositories serving other communities.

New and advanced methodologies have been developed to characterize the nano and microstructure of cement paste and concrete exposed to aggressive environments. High resolution full-field soft X-ray imaging in the water window is providing new insight on the nano scale of the cement hydration process, which leads to a nano-optimization of cement-based systems. Hard X-ray microtomography images on ice inside cement paste and cracking caused by the alkali-silica reaction (ASR) enables three-dimensional structural identification. The potential of neutron diffraction to determine reactive aggregates by measuring their residual strains and preferred orientation is studied. Results of experiments using these tools will be shown on this paper.

We present an update of our results for the electron-cloud build-up for several upgrades proposed for the LHC injectors. Specifically, we have re-examined our published results for the ecloud heat load [1] from the perspective of numerical convergence of the simulations vis-a-vis the integration time step {Delta}t. We repeated most of the simulations with ever smaller values of {Delta}t until we reached stable results, indicating numerical convergence; this was achieved at 200-500 slices per bunch, depending on the particular case. In all cases examined, the simulated heat load decreases monotonically, until the limit is reached, as {Delta}t decreases in the range explored, hence the stable results are more favorable vis-a-vis the heat load than the previous ones. This is particularly true for a bunch spacing t{sub b} = 25 ns.

I present three recent results from searches for exotic physics at the BABAR/PEP-II B-factory. These results span many of the samples produced at the B-factory, including B mesons, {tau} leptons, and {Upsilon}(3S) mesons. We have searched for CPT-violation in B{sup 0} mixing and find no significant deviation from the no-violation hypothesis. We have also searched for lepton-flavor-violating decays of the {tau} using {tau}{sup -} {yields} {omega}{ell}{sup -} and {tau}{sup -} {yields} {ell}{sup -}{ell}{sup +}{ell}{sup -} and their charge conjugates. We find no evidence for these processes and set upper limits on their branching fractions. Finally, we have searched for a low-mass Higgs boson in the decay {Upsilon}(3S) {yields} {gamma}A{sup 0}, where the Higgs decays invisibly. We find no evidence for such a decay and set upper limits across a range of possible Higgs masses.

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InN films grown by molecular beam epitaxy have been subjected to 2 MeV He{sup +} irradiation followed by thermal annealing. Theoretical analysis of the electron mobilities shows that thermal annealing removes triply charged donor defects, creating films with electron mobilities approaching those predicted for uncompensated, singly charged donors. Optimum thermal annealing of irradiated InN can be used to produce samples with electron mobilities higher than those of as grown films.

We present a sample microstate for a black ring in four and five dimensional language. The microstate consists of a black string microstate with an additional D6-brane. We show that with an appropriate choice of parameters the piece involving the black string microstate falls down a long AdS throat, whose M-theory lift is AdS_3 x S2. We wrap a spinning dipole M2-brane on the S2 in the probe approximation. In IIA, this corresponds to a dielectric D2-brane carrying only D0-charge. We conjecture this is the firstapproximation to a cloud of D0-branes blowing up due to their non-abelian degrees of freedom and the Myers effect.

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The authors present measurements of branching fractions for five B-meson decays to two-body charmless final states. The data, collected with the BABAR detector at the Stanford Linear Accelerator Center, represent 459 million B{bar B} pairs. The results for branching fractions are, in units of 10{sup -6} (upper limits at 90% C.L.): {Beta}(B{sup +} {yields} {eta}{rho}{sup +}) = 9.9 {+-} 1.2 {+-} 0.8, {Beta}(B{sup 0} {yields} {eta}{prime}{eta}) = 0.5 {+-} 0.4 {+-} 0.1 (< 1.2), {Beta}(B{sup 0} {yields} {eta}{pi}{sup 0}) = 0.9 {+-} 0.4 {+-} 0.1 (< 1.5), {Beta}(B{sup 0} {yields} {eta}{prime}{pi}{sup 0}) = 0.9 {+-} 0.4 {+-} 0.1 (< 1.5), and {Beta}(B{sup 0}{sup 0} {yields} {omega}{pi}{sup 0}) = {eta}{rho}{sup +} mode, they measure the charge asymmetry {Alpha}{sub ch} (B{sup +} {yields} {eta}{rho}{sup +}) = 0.13 {+-} 0.11 {+-} 0.02.

The authors have measured the relaxation time of hot electrons in short pulse laser-solid interactions using a picosecond time-resolved x-ray spectrometer and a time-integrated electron spectrometer. Employing laser intensities of 10{sup 17}, 10{sup 18}, and 10{sup 19} W/cm{sup 2}, they find increased laser coupling to hot electrons as the laser intensity becomes relativistic and thermalization of hot electrons at timescales on the order of 10 ps at all laser intensities. They propose a simple model based on collisional coupling and plasma expansion to describe the rapid relaxation of hot electrons. The agreement between the resulting K{sub {alpha}} time-history from this model with the experiments is best at highest laser intensity and less satisfactory at the two lower laser intensities.

High-level nuclear waste produced from fuel reprocessing operations at the Savannah River Site (SRS) requires pretreatment to remove Cs-137, Sr-90 and alpha-emitting radionuclides (i.e., actinides) prior to disposal onsite as low level waste. Separation processes planned at SRS include sorption of Sr-90 and alpha-emitting radionuclides onto monosodium titanate (MST) and caustic side solvent extraction, for Cs-137 removal. The MST and separated Cs-137 will be encapsulated into a borosilicate glass waste form for eventual entombment at the federal repository. The predominant alpha-emitting radionuclides in the highly alkaline waste solutions include plutonium isotopes Pu-238, Pu-239 and Pu-240. This paper describes recent results to produce an improved sodium titanate material that exhibits increased removal kinetics and capacity for Sr-90 and alpha-emitting radionuclides compared to the baseline MST material.

The design of the linac delivering electron bunches into ten independent soft x-ray free electron lasers (FELs) producing light at 1 nm and longer wavelengths is presented. The bunch repetition rate in the linac is 1 MHz and 100 kHz in each of ten FEL beam lines. Various issues regarding machine layout and lattice, bunch compression, collimation, and the beam switch yard are discussed. Particular attention is given to collective effects. A demanding goal is to preserve both a low beam slice emittance and low slice energy spread during acceleration, bunch compression and distribution of the electron bunches into the array of FEL beamlines. Detailed studies of the effect of the electron beam microbunching caused by longitudinal space-charge forces and coherent synchrotron radiation (CSR) have been carried out and their results are presented.

The U.S. Department of Energy's Office of River Protection has an extensive integrity assessment program for the Hanford Site Double-Shell Tank System. The DOE Orders and environmental protection regulations provide the guidelines for the activities used to inspect and maintain 28 double-shell tanks (DSTs), the waste evaporator, and ancillary equipment that compose this system. This program has been reviewed by oversight and regulatory bodies and found to comply with the established guidelines. The basis for the DOE Order 435.1-1 for tank integrity comes from the Tank Structural Integrity Paneled by Brookhaven National Laboratory during the late 1990s. These guidelines established criteria for performing Non-Destructive Examination (NDE), for acceptance of the NDE results, for waste chemistry control, and for monitoring the tanks. The environmental regulations mirror these requirements and allow for the tank integrity program to provide compliant storage of the tanks. Both sets of requirements provide additional guidance for the protection of ancillary equipment. CH2M HILL uses two methods of NDE: visual inspection and Ultrasonic Testing (UT). The visual inspection program examines the primary tank and secondary liner of the DST. The primary tank is examined both on the interior surface above the waste in the tank and on the …

Pressed-powdered crystallites of intrinsically anisotropic materials have been shown to undergo irreversible volume expansion when subjected to repeated cycles of heating and cooling. We develop a coarse-grained (micron-scale) interaction Hamiltonian for this system and perform molecular dynamics simulations, which quantitatively reproduce the experimentally observed irreversible growth. The functional form and values of the interaction parameters at the coarse-grained level are motivated by our knowledge at the atomic/molecular scale, and allows a simple way to incorporate the effect of polymeric binder. We demonstrate that irreversible growth happens only in the presence of intrinsic crystalline anisotropy of the powder material, is mediated by particles much smaller than the average crystallite size, and can be significantly reduced in the presence of high-strength polymeric binder with elevated glass transition temperatures.

The chemistry of Br species associated with sea salt ice and aerosols has been implicated in the episodes of ozone depletion reported at Arctic sunrise. However, Br{sup -} is only a minor component in sea salt, which has a Br{sup -}/Cl{sup -} molar ratio of {approx}0.0015. Sea salt is a complex mixture of many different species, with NaCl as the primary component. In recent years experimental and theoretical studies have reported enhancement of the large, more polarizable halide ion at the liquid/vapor interface of corresponding aqueous alkali halide solutions. The proposed enhancement is likely to influence the availability of sea salt Br{sup -} for heterogeneous reactions such as those involved in the ozone depletion episodes. We report here ambient pressure x-ray photoelectron spectroscopy studies and molecular dynamics simulations showing direct evidence of Br{sup -} enhancement at the interface of an aqueous NaCl solution doped with bromide. The experiments were carried out on samples with Br{sup -}/Cl{sup -} ratios in the range 0.1% to 10%, the latter being also the ratio for which simulations were carried out. This is the first direct measurement of interfacial enhancement of Br{sup -} in a multi-component solution with particular relevance to sea salt chemistry.