Physicochemical and microbiological processes taking place at environmental interfaces influence natural processes as well as the transport and fate of environmental contaminants, the remediation of toxic chemicals, and the sequestration of anthropogenic CO2. A team of scientists and engineers has been assembled to develop and apply new experimental and computational techniques to expand our knowledge of environmental kinetics. We are also training a cohort of talented and diverse students to work on these complex problems at multiple length scales and to compile and synthesize the kinetic data. Development of the human resources capable of translating molecular-scale information into parameters that are applicable in real world, field-scale problems of environmental kinetics is a major and relatively unique objective of the Institute's efforts. The EMSI team is a partnership among 10 faculty at The Pennsylvania State University (funded by the National Science Foundation Divisions of Chemistry and Earth Sciences), one faculty member at Juniata College, one faculty member at the University of Florida, and four researchers drawn from Los Alamos National Laboratory, Pacific Northwest National Laboratory, and Lawrence Berkeley National Laboratory (funded by the Department of Energy Division of Environmental Remediation Sciences). Interactions among the applied and academic scientists drives research approaches …

A treatability study was conducted at Riverbank Army Ammunition Plant's (RBAAP) Site 17, to evaluate the effectiveness of a permeable reactive barrier (PRB) for the treatment of hexavalent chromium (Cr{sup 6+}). The chromium contamination at Site 17 is hydrologically isolated and unsuitable for standard extraction and treatment (pump and treat). The majority of the chromium contamination at Site 17 is trapped within the fine grain sediments of a clay/slit zone (45 to 63). The PRB was established above and adjacent to the contaminated zone at Site 17 to reduce the hexavalent chromium as it leaches out of the contaminated clay/silt zone separating the A zone from the A zone. Site 17 and the monitoring network are described in the In-Situ Chromium Reduction Treatability Study Work Plan (CH2MHILL, January 2004). The PRB was created by reducing naturally occurring Fe{sup 3+} to Fe{sup 2+} with the injection of a buffered sodium dithionite solution into subsurface chromium source area. The Cr{sup 6+} leaching out of the contaminated clay/silt zone and migrating through the PRB is reduced by Fe{sup 2+} to Cr{sup 3+} and immobilized (Amonette, et al., 1994). The sodium dithionite will also reduce accessible Cr{sup 6+}, however the long-term reductant is the …

The role of metal (Au, Pt, and Ag) electrodes in YSZ electrolyte-based impedancemetric nitric oxide (NO) sensors is investigated using impedance spectroscopy and equivalent circuit analysis. The test cell consists of a rectangular block of porous YSZ with two metal wire loop electrodes, both exposed to the same atmosphere. Of the electrode materials, only Au was sensitive to changes in NO concentration. The impedance behavior of porous Au electrodes in a slightly different configuration was compared with dense Au electrodes and was also insensitive to NO. Ag showed no sensitivity to either O{sub 2} or NO, and the measured impedances occurred at frequencies > 10 kHz, which are typically associated with ionic conduction in YSZ. Pt and porous Au showed sensitivity to O{sub 2}, which was quantified using power-law exponents that suggest electrochemical rate-determining mechanisms occurring at the triple phase boundary. The behavior of the dense Au suggests different rate-determining processes (e.g., diffusion or adsorption) for the O{sub 2} reaction. Although the exact mechanism is not determined, the composition and microstructure of the metal electrode seem to alter the rate-limiting step of the interfering O{sub 2} reaction. Impedance behavior of the O{sub 2} reaction that is limited by processes occurring …

The overall goal of this project is to develop and test a thermodynamic network model for predicting the effects of substrate additions and environmental perturbations on microbial growth, community composition and system geochemistry. The hypothesis is that a thermodynamic analysis of the energy-yielding growth reactions performed by defined groups of microorganisms can be used to make quantitative and testable predictions of the change in microbial community composition that will occur when a substrate is added to the subsurface or when environmental conditions change.

Electrical conductivity of the lower-mantle ferropericlase-(Mg{sub 0.75},Fe{sub 0.25})O has been studied using designer diamond anvils to pressures over one megabar and temperatures up to 500 K. The electrical conductivity of (Mg{sub 0.75},Fe{sub 0.25})O gradually rises by an order of magnitude up to 50 GPa but decreases by a factor of approximately three between 50 to 70 GPa. This decrease in the electrical conductivity is attributed to the electronic high-spin to low-spin transition of iron in ferropericlase. That is, the electronic spin transition of iron results in a decrease in the mobility and/or density of the charge transfer carriers in the low-spin ferropericlase. The activation energy of the low-spin ferropericlase is 0.27 eV at 101 GPa, similar to that of the high-spin ferropericlase at relatively low temperatures. Our results indicate that low-spin ferropericlase exhibits lower electrical conductivity than high-spin ferropericlase, which needs to be considered in future geomagnetic models for the lower mantle. The extrapolated electrical conductivity of the low-spin ferropericlase, together with that of silicate perovskite, at the lower mantle pressure-temperature conditions is consistent with the model electrical conductivity profile of the lower mantle.

Vehicular natural gas consumption is on the rise, totaling nearly 200 million GGEs in 2005, despite declines in total NGV inventory in recent years. This may be attributed to greater deployment of higher fuel use medium- and heavy-duty NGVs as compared to the low fuel use of the natural gas-powered LDVs that exited the market through attrition, many of which were bi-fuel. Natural gas station counts are down to about 1100 from their peak of about 1300. Many of the stations that closed were under-utilized or not used at all while most new stations were developed with greater attention to critical business fundamentals such as site selection, projected customer counts, peak and off-peak fueling capacity needs and total station throughput. Essentially, the nation's NGV fueling infrastructure has been--and will continue--going through a 'market correction'. While current economic fundamentals have shortened payback and improved life-cycle savings for investment in NGVs and fueling infrastructure, a combination of grants and other financial incentives will still be needed to overcome general fleet market inertia to maintain status quo. Also imperative to the market's adoption of NGVs and other alternative fueled vehicle and fueling technologies is a clear statement of long-term federal government commitment to …

The task objectives are: (1) Gain an improved understanding of hydrologic, geochemical and biological processes and their interactions at relevant time and space scales; and (2) Develop practical, site-independent tools for evaluating effects of natural and engineered processes on long-term performance.

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Using both the absolute and relative surrogate techniques, the {sup 236}U(n,f) cross section was deduced over an equivalent neutron energy range of 0 to 20 MeV. A 42 MeV {sup 3}He beam from the 88-Inch Cyclotron at Lawrence Berkeley National Laboratory was used to perform a ({sup 3}He,{alpha}) pickup reaction on targets of {sup 235}U (J{sup {pi}}=7/2{sup -}) and {sup 238}U (J{sup {pi}}=0{sup +}) and the fission decay probabilities were determined. The {sup 235}U({sup 3}He,{alpha}f) and {sup 238}U({sup 3}He,{alpha}f) were surrogates for {sup 233}U(n,f) and {sup 236}U(n,f), respectively. The cross sections extracted using the Surrogate Method were compared to directly measured cross sections. The sensitivity of these cross sections to the J{sup {pi}}-population distributions was explored.

Our goal is to use isotopic measurements to understand how contaminants are introduced to and stored in the vadose zone, and what processes control migration from the vadose zone to groundwater and then to surface water. We have been using the Hanford Site in south-central Washington as our field laboratory, and our investigations are often stimulated by observations made as part of the groundwater monitoring program and vadose zone characterization activities. Understanding the transport of contaminants at Hanford is difficult due to the presence of multiple potential sources within small areas, the long history of activities, the range of disposal methods, and the continuing evolution of the hydrological system. Observations often do not conform to simple models, and cannot be adequately understood with standard characterization approaches, even though the characterization activities are quite extensive. One of our objectives is to test the value of adding isotopic techniques to the characterization program, which has the immediate potential benefit of addressing specific remediation issues, but more importantly, it allows us to study fundamental processes at the scale and in the medium where they need to be understood. Here we focus on two recent studies at the waste management area (WMA) T-TX-TY, which …

The Washington Closure Hanford (WCH) Field Remediation Project has removed all of the disposed materials and contaminated soil from the 118-B-1 Burial Ground with the exception of tritium-contaminated soil that is believed to extend from the bottom of the present excavation to groundwater and is believed to contribute to tritium contamination observed at down-gradient monitoring Well 199-B8-6. This sampling and analysis instruction (SAI) provides the requirements for sample collection and laboratory analysis for characterization of the vertical distribution of tritium contamination in the vadose zone soil below the 118-B-1 Burial Ground remedial action excavation.

Samarium-neodymium isotopic analyses of unleached and acid-leached mineral fractions from the recently identified olivine-bearing shergottite Northwest Africa 1195 yield a crystallization age of 348 {+-} 19 Ma and an {var_epsilon}{sub Nd}{sup 143} value of +40.1 {+-} 1.3. Maskelynite fractions do not lie on the Sm-Nd isochron and appear to contain a martian surface component with low {sup 147}Sm/{sup 144}Nd and {sup 143}Nd/{sup 144}Nd ratios that was added during shock. The Rb-Sr system is disturbed and does not yield an isochron. Terrestrial Sr appears to have affected all of the mineral fractions, although a maximum initial {sup 87}Sr/{sup 86}Sr ratio of 0.701614 {+-} 16 is estimated by passing a 348 Ma reference isochron through the maskelynite fraction that is least affected by contamination. The high initial {var_epsilon}{sub Nd}{sup 143} value and the low initial {sup 87}Sr/{sup 86}Sr ratio, combined with the geologically young crystallization age, indicate that Northwest Africa 1195 is derived from a source region characterized by a long-term incompatible element depletion. The age and initial Sr and Nd isotopic compositions of Northwest Africa 1195 are very similar to those of Queen Alexandra Range 94201, indicating these samples were derived from source regions with nearly identical Sr-Nd isotopic systematics. These …

Plutonium has a long half-life (2.4 x 104 years) and is of concern because of its chemical and radiological toxicity, high-energy alpha radioactive decay. A full understanding of its speciation and interactions with environmental processes is required in order to predict, contain, or remediate contaminated sites. Under aerobic conditions Pu is sparingly soluble, existing primarily in its tetravalent oxidation state. To the extent that pentavalent and hexavalent complexes and small colloidal species form they will increase the solubility and resultant mobility from contamination sources. There is evidence that in both marine environments and brines substantial fractions of the plutonium in solution is present as hexavalent plutonyl, PuO2 2+.

Ground was broken for the National Ignition Facility, a stadium-sized complex, in 1997. When complete, the project will contain a 192-beam, 1.8-megajoule, 500-terawatt laser system adjoining a 10-meter-diameter target chamber with room for nearly 100 experimental diagnostics. NIF's beams will compress and heat small capsules containing a mixture of hydrogen isotopes of deuterium and tritium. These targets will undergo nuclear fusion, producing more energy than the energy in the laser pulse and achieving scientific breakeven. NIF experiments will allow scientists to study physical processes at temperatures approaching 100 million degrees Kelvin and 100 billion times atmospheric pressure--conditions that exist naturally only in the interior of stars and in nuclear weapon detonations.

Phenotype microarrays provide a technology to simultaneouslysurvey the response of an organism to nearly 2,000 substrates, includingcarbon, nitrogen and potassium sources; varying pH; varying saltconcentrations; and antibiotics. In order to more quickly and easily viewand compare the large number of growth curves produced by phenotypemicroarray experiments, we have developed software to produce and displaycolor images, each of which corresponds to a set of 96 growth curves.Using color images to represent growth curves data has proven to be avaluable way to assess experiment quality, compare replicates, facilitatecomparison of the responses of different organisms, and identifysignificant phenotypes. The color images are linked to traditional plotsof growth versus time, as well as to information about the experiment,organism, and substrate. In order to share and view information and dataproject-wide, all information, plots, and data are accessible using onlya Web browser.

The electronic structure of nanowires in contact withmetallic electrodes of experimentally relevant sizes is calculated byincorporating the electrostatic polarization potential into the atomisticsingle particle Schrodinger equation. We show that the presence of anelectrode produces localized electron/hole states near the electrode, aphenomenon only exhibited in nanostructures and overlooked in the past.This phenomenon will have profound implications on electron transport insuch nanosystems. We calculate several electrode/nanowire geometries,with varying contact depths and nanowire radii. We demonstrate the changein the band gap of up to 0.5 eV in 3 nm diameter CdSe nanowires andcalculate the magnitude of the applied electric field necessary toovercome the localization.

OG Technologies, Inc. (OGT), developed a prototype of a Hot Billet Surface Qualifier (“Qualifier”) based on OGT’s patented HotEye™ technology and other proprietary imaging and computing technologies. The Qualifier demonstrated its ability of imaging the cast billets in line with high definition pictures, pictures capable of supporting the detection of surface anomalies on the billets. The detection will add the ability to simplify the subsequent process and to correct the surface quality issues in a much more timely and efficient manner. This is challenging due to the continuous casting environment, in which corrosive water, temperature, vibration, humidity, EMI and other unbearable factors exist. Each installation has the potential of 249,000 MMBTU in energy savings per year. This represents a cost reduction, reduced emissions, reduced water usage and reduced mill scale.

This study investigates the effects of uncertainty inrockphysics models on estimates of reservoir parameters from jointinversion of seismic AVA and CSEMdata. The reservoir parameters arerelated to electrical resistivity using Archie's law, and to seismicvelocity and density using the Xu-White model. To account for errors inthe rock-physics models, we use two methods to handle uncertainty: (1)the model outputs are random functions with modes or means given by themodel predictions, and (2) the parameters of the models are themselvesrandom variables. Using a stochastic framework and Markov Chain MonteCarlo methods, we obtain estimates of reservoir parameters as well as ofthe uncertainty in the estimates. Synthetic case studies show thatuncertainties in both rock-physics models and their associated parameterscan have significant effects on estimates of reservoir parameters. Ourmethod provides a means of quantifying how the uncertainty in theestimated reservoir parameters increases with increasing uncertainty inthe rock-physics model and in the model parameters. We find that in theexample we present, the estimation of water saturation is relatively lessaffected than is the estimation of clay content and porosity.

The nuclear pore complex (NPC) provides the sole aqueous conduit for macromolecular exchange between the nucleus and cytoplasm of cells. Its conduit contains a size-selective gate and is populated by a family of NPC proteins that feature long natively-unfolded domains with phenylalanine-glycine repeats. These FG nucleoporins play key roles in establishing the NPC permeability barrier, but little is known about their dynamic structure. Here we used molecular modeling and biophysical techniques to characterize the dynamic ensemble of structures of a representative FG domain from the yeast nucleoporin Nup116. The results show that its FG motifs function as intra-molecular cohesion elements that impart order to the FG domain. The cohesion of coils mediated by FG motifs in the natively unfolded domain of Nup116 supports a type of tertiary structure, a native pre-molten globule, that could become quaternary at the NPC through recruitment of neighboring FG nucleoporins, forming one cohesive meshwork of intertwined filaments capable of gating protein diffusion across the NPC by size exclusion.

We present the first evidence for electroweak single top quark production using nearly 1 fb{sup -1} of Tevatron Run II data at {radical}s = 1.96 TeV. We select single-top-like data events in the lepton+jets decay channel and separate them from backgrounds using the matrix element analysis method. This technique uses leading order matrix elements to compute an event probability for both signal and background hypotheses. Using the expected signal acceptance, background, and observed data we measure the single top quark cross section: {sigma}(p{bar p} {yields} tb + tqb + X) = 4.6{sub -1.5}{sup +}1.8 pb. The probability for the background to have fluctuated up to give at least the cross section measured in this analysis is 0.21%, which corresponds to a Gaussian equivalent significance of 2.9{sigma}.

Ammonia is a reactive trace gas that is emitted in large quantities by animal agriculture and other sources in California, which subsequently forms aerosol particulate matter, potentially affecting visibility, climate, and human health. We performed initial measurements of NH{sub 3} at the Blodgett Forest Research Station (BFRS) during a 3 week study in June, 2006. The site is used for ongoing air quality research and is a relatively low-background site in the foothills of the Sierra Nevada. Measured NH{sub 3} mixing ratios were quite low (< 1 to {approx}2 ppb), contrasting with typical conditions in many parts of the Central Valley. Eddy covariance measurements showed NH{sub 3} fluxes that scaled with measured NH{sub 3} mixing ratio and calculated aerodynamic deposition velocity, suggesting dry deposition is a significant loss mechanism for atmospheric NH{sub 3} at BFRS. A simple model of NH{sub 3} transport to the site supports the hypothesis that NH{sub 3} is transported from the Valley to BFRS, but deposits on vegetation during the summer. Further work is necessary to determine whether the results obtained in this study can be generalized to other seasons.

This report presents the final hazard categorization (FHC) for the remediation of the 118-D-1, 118-D-2, and 118-D-3 Burial Grounds located within the 100-D/DR Area of the Hanford Site and the 118-H-1, 118-H-2, and 118-H-3 Burial Grounds located within the 100-H Area of the Hanford Site.

The slowing pace of commodity microprocessor performance improvements combined with ever-increasing chip power demands has become of utmost concern to computational scientists. As a result, the high performance computing community is examining alternative architectures that address the limitations of modern cache-based designs. In this work, we examine the potential of using the recently-released STI Cell processor as a building block for future high-end computing systems. Our work contains several novel contributions. First, we introduce a performance model for Cell and apply it to several key scientific computing kernels: dense matrix multiply, sparse matrix vector multiply, stencil computations, and 1D/2D FFTs. The difficulty of programming Cell, which requires assembly level intrinsics for the best performance, makes this model useful as an initial step in algorithm design and evaluation. Next, we validate the accuracy of our model by comparing results against published hardware results, as well as our own implementations on a 3.2GHz Cell blade. Additionally, we compare Cell performance to benchmarks run on leading superscalar (AMD Opteron), VLIW (Intel Itanium2), and vector (Cray X1E) architectures. Our work also explores several different mappings of the kernels and demonstrates a simple and effective programming model for Cell's unique architecture. Finally, we propose modest …

The authors present a series of benchmark measurements of the ionization balance of well characterized gold plasmas with and without external radiation fields at electron densities near 10{sup 21} cm{sup -3} and various electron temperatures spanning the range 0.8 to 2.4 keV. They have analyzed time- and space-resolved M-shell gold emission spectra using a sophisticated collisional-radiative model with hybrid level structure, finding average ion changes <Z> ranging from 42 to 50. At the lower temperatures, the spectra exhibit significant sensitivity to external radiation fields and include emission features from complex N-shell ions not previously studied at these densities. The measured spectra and inferred <Z> provide a stringent test for non-local thermodynamic equilibrium (non-LTE) models of complex high-Z ions.