We investigate the local electronic structure in aqueous NiCl{sub 2} electrolytes by Ni L edge x-ray absorption spectroscopy. The experimental findings are interpreted in conjunction with multiplet calculations of the electronic structure and the resulting spectral shape. In contrast to the situation in the solid, the electronic structure in the electrolyte reflects the absence of direct contact Ni-Cl ion pairs. We observe a systematic change of the intensity ratio of singlet and triplet-related spectral features as a function of electrolyte concentration. These changes can be described theoretically by a changed weight of transition matrix contributions with different symmetry. We interpret these findings as being due to progressive distortions of the local symmetry induced by solvent-shared ion pairs.

Accidental or terrorist releases of hazardous materials into the atmosphere can impact large populations and cause significant loss of life or property damage. Plume predictions have been shown to be extremely valuable in guiding an effective and timely response. The two greatest sources of uncertainty in the prediction of the consequences of hazardous atmospheric releases result from poorly characterized source terms and lack of knowledge about the state of the atmosphere as reflected in the available meteorological data. We have developed a new event reconstruction methodology that provides probabilistic source term estimates from field measurement data for both accidental and clandestine releases. Accurate plume dispersion prediction requires the following questions to be answered: What was released? When was it released? How much material was released? Where was it released? We have developed a dynamic-data-driven event reconstruction capability that couples data and predictive methods through Bayesian inference to obtain a solution to this inverse problem. The solution consists of a probability distribution of unknown source term parameters. For consequence assessment, we then use this probability distribution to construct a 'composite' forward plume prediction that accounts for the uncertainties in the source term. Since in most cases of practical significance it is …

We present a new sample of 4634 eclipsing binary stars in the Large Magellanic Cloud (LMC), expanding on a previous sample of 611 objects and a new sample of 1509 eclipsing binary stars in the Small Magellanic Cloud (SMC), that were identified in the light curve database of the MACHO project. We perform a cross correlation with the OGLE-II LMC sample, finding 1236 matches. A cross correlation with the OGLE-II SMC sample finds 698 matches. We then compare the LMC subsamples corresponding to center and the periphery of the LMC and find only minor differences between the two populations. These samples are sufficiently large and complete that statistical studies of the binary star populations are possible.

The overall objective of this grant is to develop a rational framework for the discovery of low cost, robust, and active nano-catalysts that will enable efficient hydrogen production. Our approach will be the first demonstration of integrated multiscale model, nano-catalyst synthesis, and nanoscale characterization assisted high throughput experimentation (HTE). We will initially demonstrate our approach with ammonia decomposition on noble metal catalysts. Our research focuses on many elements of the Hydrogen Initiative in the Focus Area of “Design of Catalysts at the Nanoscale’. It combines high-throughput screening methods with various nanostructure synthesis protocols, advanced measurements, novel in situ and ex situ characterization techniques, and multiscale theory, modeling and simulation. This project directly addresses several of the long-term goals of the DOE/BES program. In particular, new nanoscale catalytic materials will be synthesized, characterized and modeled for the production of hydrogen from ammonia and a computational framework will be developed for efficient extraction of information from experimental data and for rational design of catalysts whose impact goes well beyond the proposed hydrogen production project. In the first year of the grant, we have carried out HTE screening using a 16 parallel microreactor coupled with an FTIR analysis system. We screened nearly twenty …

A detailed spectral model has been developed for the computer simulation of the 2p {yields} 1s K{alpha} X-ray emission from highly charged Fe ions in the Electron Beam Ion Trap (EBIT). The spectral features of interest occur in the range from 1.84 {angstrom} to 1.94 {angstrom}. The fundamental radiative emission processes associated with radiationless electron capture or dielectronic recombination, inner-shell electron collisional excitation, and inner-shell electron collisional ionization are taken in account. For comparison, spectral observations and simulations for high-temperature magnetic-fusion (Tokamak) plasmas are reviewed. In these plasmas, small departures from steady-state corona-model charge-state distributions can occur due to ion transport processes, while the assumption of equilibrium (Maxwellian) electron energy distributions is expected to be valid. Our investigations for EBIT have been directed at the identification of spectral features that can serve as diagnostics of extreme non-equilibrium or transient-ionization conditions, and allowance has been made for general (non-Maxwellian) electron energy distributions. For the precise interpretation of the high-resolution X-ray observations, which may involve the analysis of blended spectral features composed of many lines, it has been necessary to take into account the multitude of individual fine-structure components of the K{alpha} radiative transitions in the ions from Fe XVIII to Fe …

The primary purpose of this project was to evaluate the effectiveness of the use of hydrogen peroxide in combination with ultra-violet (UV) light for the reduction in the amount of volatile organic compounds (VOC’s) released into the environment during wood drying in sawmill kilns. As originally envisioned the scope of work included the optimization of reaction parameters i.e. pH, peroxide concentration, UV light intensity that would lead to successful destruction of VOC’s. The second phase involved development of a prototypical reactor that could be taken to a sawmill kiln for demonstration of treatment of a slipstream. However, after some of our initial experiments, we were forced to limit ourselves to more modest testing and development. During the project period we designed and constructed a small-scale reactor that was connected to the off-gas from a small wood drying kiln located at the Forest Products Lab at Mississippi State University. We ran a number of tests where we varied the process parameters (peroxide concentration, pH and UV light intensity) with no reasonable amount of VOC destruction. We employed a number of ways to atomize the peroxide into the kiln off-gas including using Laskin nozzles to see if that would improve the VOC …

High level waste tanks 18F and 19F have residual mounds of waste which may require removal before the tanks can be closed. Conventional slurry pump technology, previously used for waste removal and tank cleaning, has been incapable of removing theses mounds from tanks 18F and 19F. A mechanical cleaning method has been identified that is potentially capable of removing and transferring the mound material to tank 7F for incorporation in a sludge batch for eventual disposal in high level waste glass by the Defense Waste Processing Facility. The Savannah River National Laboratory has been requested to evaluate whether the material transferred from tanks 18F/19F by the mechanical cleaning technology can later be suspended in Tank 7F by conventional slurry pumps after mixing with high level waste sludge. The proposed mechanical cleaning process for removing the waste mounds from tanks 18 and 19 may utilize a high pressure water jet-eductor that creates a vacuum to mobilize solids. The high pressure jet is also used to transport the suspended solids. The jet-eductor system will be mounted on a mechanical crawler for movement around the bottom of tanks 18 and 19. Based on physical chemical property testing of the jet-eductor system processed IE-95 …

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