Laser peening is an emerging modern process that impresses a compressive stress into the surface of metals or alloys. This treatment can reduce the rate of intergranular stress corrosion cracking and fatigue cracking in structural metals or Alloy 600 needed for nuclear power plants.

The Yucca Mountain site has a dry climate and deep water table, with the repository located in the middle of an unsaturated zone approximately 600 m thick. Radionuclide transport processes from the repository to the water table are sensitive to the unsaturated zone flow field, as well as to sorption, matrix diffusion, radioactive decay, and colloid transport mechanisms. The unsaturated zone flow and transport models are calibrated against both physical and chemical data, including pneumatic pressure, liquid saturation, water potential, temperature, chloride, and calcite. The transport model predictions are further compared with testing specific to unsaturated zone transport: at Alcove 1 in the Exploratory Studies Facility (ESF), at Alcove 8 and Niche 3 of the ESF, and at the Busted Butte site. The models are applied to predict the breakthroughs at the water table for nonsorbing and sorbing radionuclides, with faults shown as the important paths for radionuclide transport. Daughter products of some important radionuclides, such as {sup 239}Pu and {sup 241}Am, have faster transport than the parents and must be considered in the unsaturated zone transport model. Colloid transport is significantly affected by colloid size, but only negligibly affected by lunetic declogging (reverse filtering) mechanisms. Unsaturated zone model uncertainties …

Audio information stored in the undulations of grooves in a medium such as a phonograph disc record or cylinder may be reconstructed, without contact, by measuring the groove shape using precision optical metrology methods and digital image processing. The viability of this approach was recently demonstrated on a 78 rpm shellac disc using two dimensional image acquisition and analysis methods. The present work reports the first three dimensional reconstruction of mechanically recorded sound. The source material, a celluloid cylinder, was scanned using color coded confocal microscopy techniques and resulted in a faithful playback of the recorded information.

Saltwater, or brine, underlies fresh water in many aquifers, with a transition zone separating them. Pumping fresh water by wells located above the transition zone produces upconing of the latter, eventually salinizing the pumped water, forcing shut-off. The salinity of the pumped water depends on the pumping rate, on the location of the well's screen, on the fresh water flow regime, and on the difference in density between fresh and salt water, expressed as a dimensionless factor called density difference factor (DDF). Following the well's shut-off, the upconed saltwater mound undergoes decay, tending to return to the pre-pumping regime. In this paper, the upconing-decay processes in an axially symmetrical system are investigated to discover how they are affected by the DDF and by the dispersivities. The code FEAS-Brine, developed for the simulation of coupled density-dependent flow and salt transport, is used. In this code, the flow equation is solved by the Galer:wqkin finite element method (FEM), while the advective-dispersive salt transport equation is solved in the Eulerian-Lagrangian framework. This code does not suffer from the instability constraint on the Peclet number in the vicinity of the pumping well, where advection dominates the salt transport. Simulation results show that upconing is …

Methyl tert-butyl ether (MTBE) has received high attention as it contributed to cleaner air and contaminated thousands of underground storage tank sites. Because MTBE is very water soluble, it is more difficult to remove from water by conventional remediation techniques. Therefore, biodegradation of MTBE has become a remediation alternative. In order to understand the transport and transformation processes, they present a closed form solution as a screening tool in this paper. The possible reaction pathways of first-order reactions are described as a reaction matrix. The singular value decomposition is conducted analytically to decouple the partial differential equations of the multi-species transport system coupled by the reaction matrix into multiple independent subsystems. Therefore, the complexity of mathematical description for the reactive transport system is significantly reduced and analytical solutions may be previously available or easily derived.

Metal oxide nanocrystals deposited on metal surfaces have novel electronic properties due to interface and nanoscale effects. Crystals and nanoscale ribbons of MoO{sub 3} are highly effective catalysts and field emitters. This renders MoO{sub 3} an interesting prototype. Whilst MoO{sub 3} exists as bilayers in the bulk crystal5, in this work, monolayer MoO{sub 3} nanocrystals were grown epitaxially on Au(111). Ab initio calculations reveal that Au stabilizes the MoO{sub 3} monolayer through electronic charge redistribution at the interface. The Mo-O bonds are able to rotate about one another, allowing the MoO{sub 3} monolayer to adjust to the Au lattice. As a result, the monolayer is semimetallic, unlike bulk MoO{sub 3} which is semiconducting. This remarkable flexibility of the oxide lattice suggests the possibility of tuning electronic properties of transition metal oxides via interface interactions. The overall surface pattern obtained is affected by an interplay between the Au(111) surface reconstruction and the edges of the deposited MoO{sub 3} islands.

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The outer can welder (OCW) in the FB-Line Facility at the Savannah River Site (SRS) is a Gas Tungsten Arc Weld (GTAW) system used to create outer canisters compliant with the Department of Energy 3013 Standard, DOE-STD-3013-2000, Stabilization, Packaging, and Storage of Plutonium-Bearing Materials. The key welding parameters controlled and monitored on the outer can welder Data Acquisition System (DAS) are weld amperage, weld voltage, and weld rotational speed. Inner 3013 canisters from the Bagless Transfer System that contain plutonium metal or plutonium oxide are placed inside an outer 3013 canister. The canister is back-filled with helium and welded using the outer can welder. The completed weld is screened to determine if it is satisfactory by reviewing the OCW DAS key welding parameters, performing a helium leak check, performing a visual examination by a qualified weld inspector, and performing digital radiography of the completed weld. Canisters with unsatisfactory welds are cut open and repackaged. Canisters with satisfactory welds are deemed compliant with the 3013 standard for long-term storage.

In this paper we extend the difference formulation for radiation transport to the case of a single atomic line. We examine the accuracy, performance and stability of the difference formulation within the framework of the Symbolic Implicit Monte Carlo method. The difference formulation, introduced for thermal radiation by some of the authors, has the unique property that the transport equation is written in terms that become small for thick systems. We find that the difference formulation has a significant advantage over the standard formulation for a thick system. The correct treatment of the line profile, however, requires that the difference formulation in the core of the line be mixed with the standard formulation in the wings and this may limit the advantage of the method. We bypass this problem by using the gray approximation. We develop three Monte Carlo solution methods based on different degrees of implicitness for the treatment of the source terms, and we find only conditional stability unless the source terms are treated fully implicitly.

A series of first principles molecular dynamics and Monte Carlo simulations were carried out for liquid water to assess the validity and reproducibility of different sampling approaches. These simulations include Car-Parrinello molecular dynamics simulations using the program CPMD with different values of the fictitious electron mass in the microcanonical and canonical ensembles, Born-Oppenheimer molecular dynamics using the programs CPMD and CP2K in the microcanonical ensemble, and Metropolis Monte Carlo using CP2K in the canonical ensemble. With the exception of one simulation for 128 water molecules, all other simulations were carried out for systems consisting of 64 molecules. It is found that the structural and thermodynamic properties of these simulations are in excellent agreement with each other as long as adiabatic sampling is maintained in the Car-Parrinello molecular dynamics simulations either by choosing a sufficiently small fictitious mass in the microcanonical ensemble or by Nos{acute e}-Hoover thermostats in the canonical ensemble. Using the Becke-Lee-Yang-Parr exchange and correlation energy functionals and norm-conserving Troullier-Martins or Goedecker-Teter-Hutter pseudopotentials, simulations at a fixed density of 1.0 g/cm{sup 3} and a temperature close to 315 K yield a height of the first peak in the oxygen-oxygen radial distribution function of about 3.0, a classical constant-volume heat …

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It is a well-established fact that cardiovascular health requires periodic exercise during which the human body often experiences significant physical discomfort. It is not obvious to the exerciser that the short-term pain and discomfort has a long-term positive health impact. Many cultures have well-established practices that involve exposing the body to periodic thermal discomfort. Scandinavian saunas and American Indian sweat lodges are two examples. Both are believed to promote health and well-being. Vacations often intentionally include significant thermal discomfort as part of the experience (e.g., sunbathing, and downhill skiing). So people often intentionally make themselves thermally uncomfortable yet the entire foundation of providing the thermal environment in our buildings is done to minimize the percentage of people thermally dissatisfied. We must provide an environment that does not negatively impact short-term health and we need to consider productivity but are our current thermal comfort standards too narrowly defined and do these standards actually contribute to longer-term negative health impacts? This paper examines the possibility that the human body thermoregulatory system has a corollary relationship to the cardiovascular system. It explores the possibility that we have an inherent need to exercise our thermoregulatory system. Potential, physiological, sociological and energy ramifications of these …

Increased deployment of renewable energy (RE) and energy efficiency (EE) is expected to reduce natural gas demand and in turn place downward pressure on gas prices. A number of recent modeling studies include an evaluation of this effect. Based on data compiled from those studies summarized in this paper, each 1% reduction in national natural gas demand appears likely to lead to a long-term average wellhead gas price reduction of 0.75% to 2.5%, with some studies predicting even more sizable reductions. Reductions in wellhead prices will reduce wholesale and retail electricity rates, and will also reduce residential, commercial, and industrial gas bills. We further find that many of these studies appear to represent the potential impact of RE and EE on natural gas prices within the bounds of current knowledge, but that current knowledge of how to estimate this effect is extremely limited. While more research is therefore needed, existing studies suggest that it is not unreasonable to expect that any increase in consumer electricity costs attributable to RE and/or EE deployment may be substantially offset by the corresponding reduction in delivered natural gas prices. This effect represents a wealth transfer (from natural gas producers to consumers) rather than a …

The heavy-ion fusion (HIF) community recently developed a power-plant design that meets the various requirements of accelerators, final focus, chamber transport, and targets. The point design is intended to minimize physics risk and is certainly not optimal for the cost of electricity. Recent chamber-transport simulations, however, indicate that changes in the beam ion species, the convergence angle, and the emittance might allow more-economical designs.

Iodine is an important element in studies of environmental protection and human health, global-scale hydrologic processes and nuclear nonproliferation. Biogeochemical cycling of iodine is complex, because iodine occurs in multiple oxidation states and as inorganic and organic species that may be hydrophilic, atmophilic, and biophilic. In this study, we focused on the sorption and transport behavior of iodine species (iodide, iodate, and 4-iodoaniline) in sediments collected at the Savannah River and Hanford Sites, where anthropogenic {sup 129}I from prior nuclear fuel processing activities poses an environmental risk. We conducted both column and batch experiments to investigate the sorption and transport behavior of iodine, and the sediments we examined exhibit a wide range in organic matter, clay mineralogy, soil pH, and texture. The results of our experiments illustrate complex behavior with various processes occurring, including iodate reduction, irreversible retention or mass loss of iodide, and rate-limited and nonlinear sorption. There was an appreciable iodate reduction to iodide, presumably mediated by the structural Fe(II) in some clay minerals; therefore, careful attention must be given to potential interconversion among species when interpreting the biogeochemical behavior of iodine in the environment. The different iodine species exhibited dramatically different sorption and transport behavior in three …

We observe a dramatic dependence of the extreme ultraviolet (EUV) reflectivity of Mo/Y multilayers on the oxygen content of yttrium. This is explained by a change in microstructure, increase in roughness of the Y layers and not by an increase in absorption due to oxygen in Y layers. We find best reflectivity of 38.4% is achieved with an oxygen content of 25%, which reduces to 32.6% and 29.6% for multilayers manufactured from oxygen free yttrium and 39%-oxygen yttrium, respectively. These results highlight the importance of experimentally determined optical constants as well as interface roughness in multilayer calculations. In addition, lifetime stability of Mo/Y multilayers with different capping layers was monitored for one year. The molybdenum- and palladium-capped samples exhibited low surface roughness and about 4% relative reflectivity loss in one year. The relative reflectivity loss on yttrium-capped sample (yttrium with 39% oxygen) was about 8%. However, the reflectivity loss in all three capping layers occurred within the first 100 days after the deposition and the reflectivity remained stable afterwards.

Yersinia pestis, the etiological agent of plague, is of concern to human health both from an infectious disease and a civilian biodefense perspective. While Y. pestis and Y. pseudotuberculosis share more than 90% DNA homology, they have significantly different clinical manifestations. Plague is often fatal if untreated, yet Y. pseudotuberculosis causes severe intestinal distress and is rarely fatal. A better understanding of host response to these closely related pathogens may help explain the different mechanisms of virulence and pathogenesis that result in such different clinical outcomes. The aim of this study was to characterize host protein expression changes in human monocyte-like U937 cells after exposure to Y. pestis and Y. pseudotuberculosis. In order to gain global proteomic coverage of host response, proteins from cytoplasmic, nuclear and membrane fractions of host cells were studied by 2-dimensional differential gel electrophoresis (2-D DIGE) and relative protein expression differences were quantitated. Differentially expressed proteins, with at least 1.5 fold expression changes and p values of 0.01 or less, were identified by MALDI-MS or LC/MS/MS. With these criteria, differential expression was detected in 16 human proteins after Y. pestis exposure and 13 human proteins after Y. pseudotuberculosis exposure, of which only two of the differentially …

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The creation of an excavation disturbed zone or excavation damaged zone is expected around all man-made openings in geologic formations. Macro- and micro-fracturing, and in general a redistribution of in situ stresses and rearrangement of rock structures, will occur in this zone, resulting in drastic changes of permeability to flow, mainly through the fractures and cracks induced by excavation. Such an EDZ may have significant implications for the operation and long-term performance of an underground nuclear waste repository. Various issues of concern need to be evaluated, such as processes creating fractures in the excavation damaged zone, the degree of permeability increase, and the potential for sealing or healing (with permeability reduction) in the zone. In recent years, efforts along these lines have been made for a potential repository in four rock types-crystalline rock, salt, indurated clay, and plastic clay-and these efforts have involved field, laboratory, and theoretical studies. The present work involves a synthesis of the ideas and issues that emerged from presentations and discussions on EDZ in these four rock types at a CLUSTER Conference and Workshop held in Luxembourg in November, 2003. First, definitions of excavation disturbed and excavation damaged zones are proposed. Then, an approach is suggested …

The 2175 {angstrom} extinction feature is by far the strongest spectral signature of interstellar dust observed by astronomers. Forty years after its discovery the origin of the feature and the nature of the carrier remain controversial. The feature is enigmatic because although its central wavelength is almost invariant its bandwidth varies strongly from one sightline to another, suggesting multiple carriers or a single carrier with variable properties. Using a monochromated transmission electron microscope and valence electron energy-loss spectroscopy we have detected a 5.7 eV (2175 {angstrom}) feature in submicrometer-sized interstellar grains within interplanetary dust particles (IDPs) collected in the stratosphere. The carriers are organic carbon and amorphous silicates that are abundant and closely associated with one another both in IDPs and in the interstellar medium. Multiple carriers rather than a single carrier may explain the invariant central wavelength and variable bandwidth of the astronomical 2175 {angstrom} feature.

Detailed and global models are presented for thermodynamically inhibited nucleation-growth reactions and applied to the {beta}-{delta} Phase Transition of HMX (nitramine octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine). The detailed model contains separate kinetic parameters for the nucleation process, including an activation energy distribution resulting from a distribution of defect energies, and for movement of the resulting reaction interface within a single particle. A thermodynamic inhibition term is added to both processes so that the rates go to zero at the transition temperature. The global model adds the thermodynamic inhibition term to the extended Prout-Tompkins nucleation-growth formalism for single particles or powders. Model parameters are calibrated from differential scanning calorimetry data. The activation energy for nucleation (333 kJ/mol) is substantially higher than that for growth (29.3 kJ/mol). Use of a small activation energy distribution ({approx}400 J/mol) for the defects improves the fit to a powered sample for both the early and late stages of the transition. The effective overall activation energy for the global model (208.8 kJ/mol) is in between that of nucleation and growth. Comparison of the two models with experiment indicates the thermodynamic inhibition term is more important than the energy distribution feature for this transition. Based on the applicability of the Prout-Tompkins kinetics …

The RF Technology Development group at Fermilab is working together with the NLC and GLC groups at SLAC and KEK on developing technology for room temperature X-band accelerating structures for a future linear collider. We built six 60-cm long, high phase advance, detuned structures (HDS or FXB series). These structures have 150 degrees phase advance per cell, and are intended for high gradient tests. The structures were brazed in a vacuum furnace with a partial pressure of argon, rather than in a hydrogen atmosphere. We have also begun to build 60-cm long, damped and detuned structures (HDDS or FXC/FXD series). We have built 5 FXC and 1 FXD structures. Our goal was to build six structures for the 8-pack test at SLAC by the end of March 2004, as part of the GLC/NLC effort to demonstrate the readiness of room temperature RF technology for a linear collider. This paper describes the RF structure factory infrastructure (clean rooms, vacuum furnaces, vacuum equipment, RF equipment etc.), and the fabrication techniques utilized (the machining of copper cells/couplers, quality control, etching, vacuum brazing, cleanliness requirements etc.) for the production of FXB and FXC/FXD structures.

Primary amine-functionalized glass slides obtained through a multi-step plasma treatment were conjugated with anionic amino acids that are frequently found as mineral binding elements in acidic extracellular matrix components of natural bone. The modified glass surfaces were characterized by X-ray photoelectron spectroscopy (XPS) and contact angle measurements. Human osteosarcoma TE85 cells were cultured on these functionalized slides and analyses on both protein and gene expression levels were performed to probe the ''biocompatibility'' of the surface ligands. Cell attachment and proliferation on anionic surfaces were either better than or comparable to those of cells cultured on tissue culture polystyrene (TCPS). The modified glass surfaces promoted the expression of osteocalcin, alkaline phosphatase activity and ECM proteins such as fibronectin and vitronectin under differentiation culture conditions. Transcript analysis using gene chip microarrays confirmed that culturing TE85 cells on anionic surfaces did not activate apoptotic pathways. Collectively, these results suggest that the potential mineral-binding anionic ligands examined here do not exert significant adverse effects on the expression of important osteogenic markers of TE85 cells. This work paves the way for the incorporation of these ligands into 3-dimensional artificial bone-like scaffolds.