Advances in next-generation sequencing technologies have enabled single genomes as well as complex environmental samples (metagenomes) to be comprehensively sequenced on a routine basis. Bioinformatics analysis of the resulting sequencing data reveals a continually expanding catalogue of predicted proteins ( 14 million as of April 2011), 75 percent of which are associated with functional annotation (COG, Pfam, Enzyme, Kegg, etc). These predicted proteins cover the full spectrum of known pathways and functional activities, including many novel biocatalysts that are expected to significantly contribute to the development of clean technologies including biomass degradation, lipid transformation for biodiesel generation, intermediates for polymer production, carbon capture, and bioremediation.

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The empty interior cavity of fullerenes has long been touted for containment of radionuclides during in vivo transport, during radioimmunotherapy (RIT) and radioimaging for example. As the chemistry required to open a hole in fullerene is complex and exceedingly unlikely to occur in vivo, and conformational stability of the fullerene cage is absolute, atoms trapped within fullerenes can only be released during extremely energetic events. Encapsulating radionuclides in fullerenes could therefore potentially eliminate undesired toxicity resulting from leakage and catabolism of radionuclides administered with other techniques. At the start of this project however, methods for production of transition metal and p-electron metal endohedral fullerenes were completely unknown, and only one method for production of endohedral radiofullerenes was known. They therefore investigated three different methods for the production of therapeutically useful endohedral metallofullerenes: (1) implantation of ions using the high intensity ion beam at the Oak Ridge National Laboratory (ORNL) Surface Modification and Characterization Research Center (SMAC) and fullerenes as the target; (2) implantation of ions using the recoil energy following alpha decay; and (3) implantation of ions using the recoil energy following neutron capture, using ORNL's High Flux Isotope Reactor (HFIR) as a thermal neutron source. While they were unable …

The emplacement of heat-generating nuclear waste in the potential geologic repository at Yucca Mountain, Nevada, will result in enhanced water-rock interaction around the emplacement drifts. Water present in the matrix and fractures of the rock around the drift may vaporize and migrate via fractures to cooler regions where condensation would occur. The condensate would react with the surrounding rock, resulting in mineral dissolution. Mineralized water flowing under gravity back towards the heat zone would boil, depositing the dissolved minerals. Such mineral deposition would reduce porosity and permeability above the repository, thus altering the flow paths of percolating water. The objective of this research is to use coupled thermal-hydrological-chemical (THC) models to simulate previously conducted laboratory experiments involving tuff dissolution and mineral precipitation in a boiling, unsaturated fracture. Numerical simulations of tuff dissolution and fracture plugging were performed using a modified version of the TOUGHREACT code developed at LBNL by T. Xu and K. Pruess. The models consider the transport of heat, water, gas and dissolved constituents, reactions between gas, mineral and aqueous phases, and the coupling of porosity and permeability to mineral dissolution and precipitation. The model dimensions and initial fluid chemistry, rock mineralogy, permeability, and porosity were defined using …

The novelty/innovation of the proposed work is as follows. Supercritical carbon dioxide (SC-CO {sub 2})-based extrusion and molding technology can be used to produce significantly improved (in terms of strength/unit weight, durability, hardness and chemical resistance) cement-based products. SC-CO{sub 2} can rapidly convert the calcium hydroxide in cured cement to calcium carbonate, which increases the density and unconfined compressive strength in the treated region. In cured concrete, this treated region is typically a several-mm thick layer (generally <{approx}5mm, unless treatment time is excessive). However, we have found that by treating the entire cement matrix with SC-CO{sub 2} as part of the curing process, we can carbonate it rapidly, regardless of the thickness. By ''rapidly'' we mean simultaneous carbonation/curing in < 5 ks even for large cement forms, compared to typical carbonation times of several days or even years at low pressures. Carbonation changes the pH in the treated region from {approx}13 to {approx}8, almost exactly compatible with seawater. Therefore the leaching rates from these cements is reduced. These cement improvements are directed to the development of strong but thin artificial reefs, to which can be attached microalgae used for the enhanced fixation of CO{sub 2}. It is shown below that …

The National Academies (NA) provides support for the activities related to the long-term follow up of the health of the survivors of the atomic bombings of Hiroshima and Nagasaki being conducted by the Radiation Effects Research Foundation (RERF) laboratories in Hiroshima and Nagasaki, Japan. The NA serves as scientific and administrative liaison between the U.S. Department of Energy (DOE) and RERF, and performs tasks in the areas of scientific oversight, information/public interface, fiscal oversight, and personnel management. The project includes recruitment and support of approximately 10 NA employees who work at RERF in Japan. Specific activities are performed consistent with the cooperative agreement’s Statement of Work between DOE and NA and consistent with an Annual Work Plan developed by DOE and NA.

The objective of this research is to develop a mechanistic understanding of the oxidation of coal and coal pyrite, and to correlate the intrinsic physical and chemical properties of these minerals, along with changes resulting from oxidation, with those surface properties that influence the behavior in physical cleaning processes. Work during the nineteenth quarter has concluded studies of the surface functional groups produced on coal by severe thermal and chemical oxidation, and on investigating the partition of metal ions between such strongly oxidized coal samples and aqueous solutions. This partitioning behavior was being followed to obtain further information on the chemistry of the coal surfaces after different oxidation treatments. Adsorption isotherms for the uptake of Cd{sup 2+} on coal oxidized by different methods were obtained, and these and the Cu{sup 2+} adsorption isotherms reported in the last report have been scrutinized, and interpreted more exhaustively. The apparent discrepancies noted in the last report for the analysis of surface functional groups have been investigated further. The adsorption behavior has been related to the surface chemistry of Upper Freeport coal oxidized by different methods.

During FY 1980 work is being carried out on the following subtasks: evaluation of the thermal/hydraulic/mechanical consequences of enhanced fertile and fissile capture rates at interfaces; development of simpler ways to estimate interface capture rate enhancement; particularization of the breed/burn internal/external blanket management scheme; and participation in the Large Core Code Evaluation Working Group (LCCEWG) program.

We describe a method for generating molecular hydrogen directly from the charge separation effected via rapid flow of liquid water through a metal orifice, wherein the input energy is the hydrostatic pressure times the volume flow rate. Both electrokinetic currents and hydrogen production rates are shown to follow simple equations derived from the overlap of the fluid velocity gradient and the anisotropic charge distribution resulting from selective adsorption of hydroxide ions to the nozzle surface. Pressure-driven fluid flow shears away the charge balancing hydronium ions from the diffuse double layer and carries them out of the aperture. Downstream neutralization of the excess protons at a grounded target electrode produces gaseous hydrogen molecules. The hydrogen production efficiency is currently very low (ca. 10-6) for a single cylindrical jet, but can be improved with design changes.

This report describes the Atmospheric Radiation Measurement (ARM) Climate Research Facility baseline cloud microphysical properties (MICROBASE) value-added product (VAP). MICROBASE uses a combination of millimeter-wavelength cloud radar, microwave radiometer, and radiosonde observations to estimate the vertical profiles of the primary microphysical parameters of clouds including the liquid/ice water content and liquid/ice cloud particle effective radius. MICROBASE is a baseline algorithm designed to apply to most conditions and locations using a single set of parameterizations and a simple determination of water phase based on temperature. This document provides the user of this product with guidelines to assist in determining the accuracy of the product under certain conditions. Quality control flags are designed to identify outliers and indicate instances where the retrieval assumptions may not be met. The overall methodology is described in this report through a detailed description of the input variables, algorithms, and output products.

This report covers the results of developing the rock physics theory of the effects of CO{sub 2} injection and storage in a host reservoir on the rock�s elastic properties and the resulting seismic signatures (reflections) observed during sequestration and storage. Specific topics addressed are: (a) how the elastic properties and attenuation vary versus CO{sub 2} saturation in the reservoir during injection and subsequent distribution of CO{sub 2} in the reservoir; (b) what are the combined effects of saturation and pore pressure on the elastic properties; and (c) what are the combined effects of saturation and rock fabric alteration on the elastic properties. The main new results are (a) development and application of the capillary pressure equilibrium theory to forecasting the elastic properties as a function of CO{sub 2} saturation; (b) a new method of applying this theory to well data; and (c) combining this theory with other effects of CO{sub 2} injection on the rock frame, including the effects of pore pressure and rock fabric alteration. An important result is translating these elastic changes into synthetic seismic responses, specifically, the amplitude-versus-offset (AVO) response depending on saturation as well as reservoir and seal type. As planned, three graduate students participated in …

The Flooding Predictor is an advanced process control strategy comprising a patented pattern-recognition methodology that identifies pre-flood patterns discovered to precede flooding events in distillation columns. The grantee holds a U.S. patent on the modeling system. The technology was validated at the Separations Research Program, The University of Texas at Austin under a grant from the U. S. Department of Energy, Inventions & Innovation Program. Distillation tower flooding occurs at abnormally high vapor and/or liquid rates. The loss in tray efficiencies is attributed to unusual behavior of liquid inventories inside the column leading to conditions of flooding of the space in between trays with liquid. Depending on the severity of the flood condition, consequences range from off spec products to equipment damage and tower shutdown. This non-intrusive pattern recognition methodology, processes signal data obtained from existing column instrumentation. Once the pattern is identified empirically, it is modeled and coded into the plant's distributed control system. The control system is programmed to briefly "unload" the tower each time the pattern appears. The unloading takes the form of a momentary reduction in column severity, e.g., decrease bottom temperature, reflux or tower throughput. Unloading the tower briefly at the pre-flood state causes long-term …

An attempt was made to pursue {sup 129}Xe NMR as a pore measurement technique. Samples studied were synthetic imogolite (tubular aluminosilicate with gibbsite structure), sodium Y-zeolite, and an aerogel and a xerogel. Gases used were normal Xe, {sup 13}CO{sub 2}, and {sup 15}N{sub 2}. Although a completely general NMR technique for measuring pore size distributions may not be possible, information about molecular motion and interactions can be obtained, because NMR is sensitive to short range interactions (1 nm or less) and to molecular dynamics in the range 10{sup {minus}2} to 10{sup {minus}6}s.

An attempt was made to pursue [sup 129]Xe NMR as a pore measurement technique. Samples studied were synthetic imogolite (tubular aluminosilicate with gibbsite structure), sodium Y-zeolite, and an aerogel and a xerogel. Gases used were normal Xe, [sup 13]CO[sub 2], and [sup 15]N[sub 2]. Although a completely general NMR technique for measuring pore size distributions may not be possible, information about molecular motion and interactions can be obtained, because NMR is sensitive to short range interactions (1 nm or less) and to molecular dynamics in the range 10[sup [minus]2] to 10[sup [minus]6]s.

This document provides a test plan for the conduct of electric arc vitrification testing by a vendor in support of the Hanford Tank Waste Remediation System (TWRS) Low-Level Waste (LLW) Vitrification Program. The vendor providing this test plan and conducting the work detailed within it [one of seven selected for glass melter testing under Purchase Order MMI-SVV-384216] is the US Bureau of Mines, Department of the Interior, Albany Research Center, Albany, Oregon. This test plan is for Phase I activities described in the above Purchase Order. Test conduct includes feed preparation activities and melting of glass with Hanford LLW Double-Shell Slurry Feed waste simulant in a 3-phase electric arc (carbon electrode) furnace.

The programming and website for the advanced Technology Information System (TIS) have been completed. Over and above the LSDDP-TIS, the new system provides information on DOE's baseline technologies, technology data contained in DOE's databases, technologies assessed at FIU-HCET Technology Assessment Program (TAP), as well as links to other selected D&D sites with valuable technology information. The new name for the website is Gateway for Environmental Technology (GET). A super-vacuum type blasting system was tested for decontamination of 12-in pipe internal surfaces. The system operates on compressed air and propels grit media at high speed at wall surfaces. It is equipped with a vacuum system for collecting grit, dust, and debris. This technology was selected for further development. The electret ion chamber (EIC) system for measurement of alpha contamination on surfaces has been calibrated and is ready for demonstration and deployment. FIU-HCET is working with representatives from Fernald, Oak Ridge, Rocky Flats, and Savannah River to procure a demonstration and deployment site. Final arrangements are ongoing for the mock-up design for the glove box and tank size reduction technology assessments, including designing of support bases for tanks, a piping support system, and a mobilization plan for glove boxes and tanks from …

In this project generic anticline structures have been used for numerical modeling analyses to study the influence of geometrical parameters, fluid flow boundary conditions, in situ stress regime and inter-bedding friction coefficient on geomechanical risks such as fracture reactivation and fracture generation. The resulting stress states for these structures are also used to determine safe drilling directions and a methodology for wellbore trajection optimization is developed that is applicable for non-Andersonian stress states. The results of the fluid flow simulation show that the type of fluid flow boundary condition is of utmost importance and has significant impact on all injection related parameters. It is recommended that further research is conducted to establish a method to quantify the fluid flow boundary conditions for injection applications. The results of the geomechanical simulation show that in situ stress regime is a crucial, if not the most important, factor determining geomechanical risks. For extension and strike slip stress regimes anticline structures should be favored over horizontally layered basin as they feature higher ΔP{sub c} magnitudes. If sedimentary basins are tectonically relaxed and their state of stress is characterized by the uni-axial strain model the basin is in exact frictional equilibrium and fluids should not …

The study of the collisionless magnetic reconnection constituted the primary work carried out under this grant. The investigations utilized two magnetic configurations with distinct boundary conditions. Both configurations were based upon the Versatile Toroidal Facility (VTF) at the MIT Plasma Science and Fusion Center and the MIT Physics Department. The NSF/DOE award No. 0613734, supported two graduate students (now Drs. W. Fox and N. Katz) and material expenses. The grant enabled these students to operate the VTF basic plasma physics experiment on magnetic reconnection. The first configuration was characterized by open boundary conditions where the magnetic field lines interface directly with the vacuum vessel walls. The reconnection dynamics for this configuration has been methodically characterized and it has been shown that kinetic effects related to trapped electron trajectories are responsible for the high rates of reconnection observed. This type of reconnection has not been investigated before. Nevertheless, the results are directly relevant to observations by the Wind spacecraft of fast reconnection deep in the Earth magnetotail. The second configuration was developed to be relevant to specifically to numerical simulations of magnetic reconnection, allowing the magnetic field-lines to be contained inside the device. The configuration is compatible with the presence of …

Progress is reported on research directed toward. the development of adhesives, which are compatible with explosives; the measurement of nuclear properties of polonium isotopes; residue adsorption; separation and purification of isotopes; thermal diffusion theory analyses; emission strength analyses for neutron sources; and krypton-85 counting methods development. (B.O.G.)

This is the final report of the UC Davis Fuel Cell, Hydrogen, and Hybrid Vehicle (FCH2V) GATE Center of Excellence which spanned from 2005-2012. The U.S. Department of Energy (DOE) established the Graduate Automotive Technology Education (GATE) Program, to provide a new generation of engineers and scientists with knowledge and skills to create advanced automotive technologies. The UC Davis Fuel Cell, Hydrogen, and Hybrid Vehicle (FCH2V) GATE Center of Excellence established in 2005 is focused on research, education, industrial collaboration and outreach within automotive technology. UC Davis has had two independent GATE centers with separate well-defined objectives and research programs from 1998. The Fuel Cell Center, administered by ITS-Davis, has focused on fuel cell technology. The Hybrid-Electric Vehicle Design Center (HEV Center), administered by the Department of Mechanical and Aeronautical Engineering, has focused on the development of plug-in hybrid technology using internal combustion engines. The merger of these two centers in 2005 has broadened the scope of research and lead to higher visibility of the activity. UC Davis’s existing GATE centers have become the campus’s research focal points on fuel cells and hybrid-electric vehicles, and the home for graduate students who are studying advanced automotive technologies. The centers have been …

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The potential for a sodium-cooled fast reactor to survive severe accident initiators with no damage has been demonstrated through whole-plant testing in EBR-II and FFTF. Analysis of the observed natural protective mechanisms suggests that they would be characteristic of a broad range of sodium-cooled fast reactors utilizing metal fuel. However, in order to demonstrate the degree to which new, advanced sodium-cooled fast reactor designs will possess these desired safety features, accurate, high-fidelity, whole-plant dynamics safety simulations will be required. One of the objectives of the advanced safety-modeling component of the Reactor IPSC is to develop a science-based advanced safety simulation capability by utilizing existing safety simulation tools coupled with emerging high-fidelity modeling capabilities in a multi-resolution approach. As part of this integration, an existing whole-plant systems analysis code has been coupled with a high-fidelity computational fluid dynamics code to assess the impact of high-fidelity simulations on safety-related performance. With the coupled capabilities, it is possible to identify critical safety-related phenomenon in advanced reactor designs that cannot be resolved with existing tools. In this report, the impact of coupling is demonstrated by evaluating the conditions of outlet plenum thermal stratification during a protected loss of flow transient. Outlet plenum stratification was …

TPX is PMP or poly(4-methyl-1-pentene). It has several commercially important characteristics such as high optical transparency, high crystalline melting point, etc., leading to numerous applications including infrared windows, lenses, membranes, food packaging. The life components fabricated from this material may be limited by thermal oxidative and radiation-induced degradation. A preliminary review of the scientific literature was conducted to obtain relevant information on the effects of oxygen, moisture elevated temperature, and radiation on the chemical, thermodynamic, mechanical, and electrical properties of this material. Refs, figs, tabs.

The simulation of particulate flows for industrial applications often requires the use of two-fluid models, where the solid particles are considered as a separate continuous phase. One of the underlining uncertainties in the use of the two-fluid models in multiphase computations comes from the boundary condition of the solid phase. Typically, the gas or liquid fluid boundary condition at a solid wall is the so called no-slip condition, which has been widely accepted to be valid for single-phase fluid dynamics provided that the Knudsen number is low. However, the boundary condition for the solid phase is not well understood. The no-slip condition at a solid boundary is not a valid assumption for the solid phase. Instead, several researchers advocate a slip condition as a more appropriate boundary condition. However, the question on the selection of an exact slip length or a slip velocity coefficient is still unanswered. Experimental or numerical simulation data are needed in order to determinate the slip boundary condition that is applicable to a two-fluid model. The goal of this project is to improve the performance and accuracy of the boundary conditions used in two-fluid models such as the MFIX code, which is frequently used in multiphase …