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Fractures and faults are brittle structural heterogeneities that can act both as conduits and barriers with respect to fluid flow in rock. This range in the hydraulic effects of fractures and faults greatly complicates the challenges faced by geoscientists working on important problems: from groundwater aquifer and hydrocarbon reservoir management, to subsurface contaminant fate and transport, to underground nuclear waste isolation, to the subsurface sequestration of CO2 produced during fossil-fuel combustion. The research performed under DOE grant DE-FG03-94ER14462 aimed to address these challenges by laying a solid foundation, based on detailed geological mapping, laboratory experiments, and physical process modeling, on which to build our interpretive and predictive capabilities regarding the structure, patterns, and fluid flow properties of fractures and faults in sandstone reservoirs. The material in this final technical report focuses on the period of the investigation from July 1, 2001 to October 31, 2004. The Aztec Sandstone at the Valley of Fire, Nevada, provides an unusually rich natural laboratory in which exposures of joints, shear deformation bands, compaction bands and faults at scales ranging from centimeters to kilometers can be studied in an analog for sandstone aquifers and reservoirs. The suite of structures there has been documented and studied …

The goals of the first six months of this project were to begin laying the foundations for both the SiC front-end optical chip fabrication techniques for high pressure gas species sensing as well as the design, assembly, and test of a portable high pressure high temperature calibration test cell chamber for introducing gas species. This calibration cell will be used in the remaining months for proposed first stage high pressure high temperature gas species sensor experimentation and data processing. All these goals have been achieved and are described in detail in the report. Both design process and diagrams for the mechanical elements as well as the optical systems are provided. Photographs of the fabricated calibration test chamber cell, the optical sensor setup with the calibration cell, the SiC sample chip holder, and relevant signal processing mathematics are provided. Initial experimental data from both the optical sensor and fabricated test gas species SiC chips is provided. The design and experimentation results are summarized to give positive conclusions on the proposed novel high temperature high pressure gas species detection optical sensor technology.

The primary objective of this grant was to characterize the vacuolar V-ATPase of lemon fruits. Lemon fruit vacuoles have an internal pH of about 2.5. Since a typical plant vacuole has a luminal pH of around 5.5, the lemon fruit V-APTase must have special properties which allow it to acidify the lumen to such a low pH: (1) it might have a different structure; (2) it might have a different H{sup +}/ATP stoichiometry; and (3) it might be regulated differently. During the course of the investigations (which began in 1996) they characterized these aspects of the V-ATPases of both lemon fruits and lime fruits. They examined lime fruits because of the availability of both acidic limes with a low vacuolar pH and sweet limes, which have a much higher vacuolar pH. The existence of two types of lime fruits allowed a comparison of the V-ATPases of the two varieties. In this report they are including two publications from 1996 and 1997 as background for the later publications. A review article with Heven Sze on V-ATPase nomenclature was also generated during the funding period. In addition to the studies on citrus fruit vacuoles, they also initiated studies in two new areas: …

Detailed annual and triannual reports describing the progress accomplished during the tenure of this grant were filed with the Program Manager for Catalysis at the Office of Basic Energy Sciences. To avoid unnecessary duplication, the present report will provide a brief overview of the research areas that were sponsored by this grant and list the resulting publications and theses based on this DOE supported research. The scientific personnel participating in (and trained by) this grant's research are also listed. Research carried out under this DOE grant was largely concerned with the mechanisms of the homogeneous catalytic and photocatalytic activation of small molecules such as carbon monoxide, dihydrogen and various hydrocarbons. Much of the more recent effort has focused on the dynamics and mechanisms of reactions relevant to substrate carbonylations by homogeneous organometallic catalysts. A wide range of modern investigative techniques were employed, including quantitative fast reaction methodologies such as time-resolved optical (TRO) and time-resolved infrared (TRIR) spectroscopy and stopped flow kinetics. Although somewhat diverse, this research falls within the scope of the long-term objective of applying quantitative techniques to elucidate the dynamics and understand the principles of mechanisms relevant to the selective and efficient catalytic conversions of fundamental feedstocks to …

25th Edition of TOP500 List of World's Fastest Supercomputers Released: DOE/L LNL BlueGene/L and IBM gain Top Positions MANNHEIM, Germany; KNOXVILLE, Tenn.; BERKELEY, Calif. In what has become a closely watched event in the world of high-performance computing, the 25th edition of the TOP500 list of the world's fastest supercomputers was released today (June 22, 2005) at the 20th International Supercomputing Conference (ISC2005) in Heidelberg Germany.

A new and improved undulator design is provided that enables a variable period length for the production of synchrotron radiation from both medium-energy and high energy storage rings. The variable period length is achieved using a staggered array of pole pieces made up of high permeability material, permanent magnet material, or an electromagnetic structure. The pole pieces are separated by a variable width space. The sum of the variable width space and the pole width would therefore define the period of the undulator. Features and advantages of the invention include broad photon energy tunability, constant power operation and constant brilliance operation.

The purpose of the Fuel Handling Facility Backup Central Communications Room Space Requirements Calculation is to determine a preliminary estimate of the space required to house the backup central communications room in the Fuel Handling Facility (FHF). This room provides backup communications capability to the primary communication systems located in the Central Control Center Facility. This calculation will help guide FHF designers in allocating adequate space for communications system equipment in the FHF. This is a preliminary calculation determining preliminary estimates based on the assumptions listed in Section 4. As such, there are currently no limitations on the use of this preliminary calculation. The calculations contained in this document were developed by Design and Engineering and are intended solely for the use of Design and Engineering in its work regarding the FHF Backup Central Communications Room Space Requirements. Yucca Mountain Project personnel from Design and Engineering should be consulted before the use of the calculations for purposes other than those stated herein or use by individuals other than authorized personnel in Design and Engineering.

During this last quarter of the ''Seismic Evaluation of Hydrocarbon Saturation in Deep-Water Reservoirs'' project (Grant/Cooperative Agreement DE-FC26-02NT15342), we have moved forward on several fronts, including data acquisition as well as analysis and application. During this quarter we have: (1) Completed our site selection (finally); (2) Measured fluid effects in Troika deep water sand sample; (3) Applied the result to Ursa ''fizz gas'' zone; (4) Compared thin layer property averaging on AVO response; (5) Developed target oriented NMO stretch correction; (6) Examined thin bed effects on A-B crossplots; and (7) Begun incorporating outcrop descriptive models in seismic forward models. Several factors can contribute to limit our ability to extract accurate hydrocarbon saturations in deep water environments. Rock and fluid properties are one factor, since, for example, hydrocarbon properties will be considerably different with great depths (high pressure) when compared to shallow properties. Significant over pressure, on the other hand will make the rocks behave as if they were shallower. In addition to the physical properties, the scale and tuning will alter our hydrocarbon indicators. Reservoirs composed of thin bed effects will broaden the reflection amplitude distribution with incident angle. Normal move out (NMO) stretch corrections based on frequency shifts can …

The objectives of this project were to characterize gene expression patterns of early light inducible protein (ELIP) genes in Arabidopsis thaliana and in Lycopersicon esculentum, to identify knock mutants of the 2 ELIP genes in Arabidopsis, and to characterize the effects of the knockouts. Expression in Arabidopsis was studied in response to thylakoid electron transport chain (PETC) capacity, where it was found that there is a signal for expression associated with reduction of the PETC. Expression in response to salt was also studied, with different responses of the two gene copies. Knockout lines for ELIP1 and ELIP2 have been identified and are being characterized. In tomato, it was found that the single-copy ELIP gene is highly expressed in ripening fruit during the chloroplast-to-chromoplast transition. Studies of expression in tomato ripening mutants are ongoing.

The analysis of interactions between lineages at varying levels of genetic divergence can provide insights into the process of speciation through the accumulation of incompatible mutations. Ring species, and especially the Ensatina eschscholtzii system exemplify this approach. The plethodontid salamanders Ensatina eschscholtzii xanthoptica and Ensatina eschscholtzii platensis hybridize in the Central Sierran foothills of California. We compared the genetic structure across two transects (southern and northern Calaveras Co.), one of which was re-sampled over 20 years, and examined diagnostic molecular markers (eight allozyme loci and mitochondrial DNA) and a diagnostic quantitative trait (color pattern). Key results across all studies were: (i) cline centers for all markers were coincident and the zones were narrow, with width estimates of 730m to 2000m; (ii) cline centers at the northern Calaveras transect were coincident between 1981 and 2001, demonstrating repeatability over 5 generations; (iii) there are very few if any putative F1's, but a relatively high number of backcrossed individuals (57-86 percent) in the central portion of transects; (iv) we found substantial linkage disequilibrium in all three studies and strong heterozygote deficit both in northern Calaveras, in 2001, and southern Calaveras. Both linkage disequilibrium and heterozygote deficit show maximum values near the center of …

A method for determining the quality of an examined weld joint comprising the steps of providing acoustical data from the examined weld joint, and performing a neural network operation on the acoustical data determine the quality of the examined weld joint produced by a friction weld process. The neural network may be trained by the steps of providing acoustical data and observable data from at least one test weld joint, and training the neural network based on the acoustical data and observable data to form a trained neural network so that the trained neural network is capable of determining the quality of a examined weld joint based on acoustical data from the examined weld joint. In addition, an apparatus having a housing, acoustical sensors mounted therein, and means for mounting the housing on a friction weld device so that the acoustical sensors do not contact the weld joint. The apparatus may sample the acoustical data necessary for the neural network to determine the quality of a weld joint.

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The San Andres Formation is one of the major hydrocarbon-producing units in the Permian Basin, with multiple reservoirs contained within the dolomitized subtidal portions of upward shoaling carbonate shelf cycles. The test well is located in Tedbit (San Andres) Field in northeastern Gaines County, Texas, in an area of scattered San Andres production associated with local structural highs. Selected on the basis of geological and historical data, the Oil and Gas Properties Wood No. 1 well is considered to be typical of a large number of San Andres stripper wells in the Permian Basin. Thus, successful completion of horizontal drain holes in this well would demonstrate a widely applicable enhanced recovery technology. Water-jet horizontal drilling is an emerging technology with the potential to provide significant economic benefits in marginal wells. Forecast benefits include lower recompletion costs and improved hydrocarbon recoveries. The technology utilizes water under high pressure, conveyed through small-diameter coiled tubing, to jet horizontal drain holes into producing formations. Testing of this technology was conducted with inconclusive results. Paraffin sludge and mechanical problems were encountered in the wellbore, initially preventing the water-jet tool from reaching the kick-off point. After correcting these problems and attempting to cut a casing window …

EPIcode (version 7.0) and ALOHA (version 5.2.3) are two of the designated toolbox codes identified in the Department of Energy's Implementation Plan for DNFSB Recommendation 2002-1 on Software Quality Assurance issues in the DOE Complex. Both have the capability to estimate evaporation rates from pools formed from chemical spills and to predict subsequent atmospheric transport and dispersion. This paper provides an overview of the algorithms used by EPIcode and ALOHA to calculate evaporation rates and downwind plume concentrations. The technical bases for these algorithms are briefly discussed, and differences in the EPIcode and ALOHA methodologies highlighted. In addition, sample calculations are performed using EPIcode and ALOHA for selected chemicals under various environmental conditions. Side-by-side comparisons of results from sample calculations are analyzed to illustrate the impact that the different methodologies used by EPIcode and ALOHA have on predicted evaporation rates and downwind concentrations.

This paper describes a scheme for rapidly computing numerical values of definite integrals to very high accuracy, ranging from ordinary machine precision to hundreds or thousands of digits, even for functions with singularities or infinite derivatives at endpoints. Such a scheme is of interest not only in computational physics and computational chemistry, but also in experimental mathematics, where high-precision numerical values of definite integrals can be used to numerically discover new identities. This paper discusses techniques for a parallel implementation of this scheme, then presents performance results for 1-D and 2-D test suites. Results are also given for a certain problem from mathematical physics, which features a difficult singularity, confirming a conjecture to 20,000 digit accuracy. The performance rate for this latter calculation on 1024 CPUs is 690 Gflop/s. We believe that this and one other 20,000-digit integral evaluation that we report are the highest-precision non-trivial numerical integrations performed to date.

This report covers the final one-year period of work done by the Principal Investigator (S. T. Pantelides) and his group in collaboration with other team members. The focus of the work was to pursue understanding of core excitation spectra in doped manganites where experimental data obtained at Oak Ridge National Laboratory by S. J. Pennycook showed inequivalent Mn atoms. Calculations found that doping sets up a Peierls-like instability that drives the observed distortion. Further calculations of electron-energy-loss spectra to account for the observed L23 ratios in the Mn L2,3 spectra will be pursued in the future.

The stability of the barrier layers of bilayer passive films that form on metal and alloy surfaces, when in contact with oxidizing aqueous environments, is explored within the framework of the Point Defect Model (PDM) using phase-space analysis (PSA), in which the rate of growth of the barrier layer into the metal, (dL{sup +}/dt), and the barrier layer dissolution rate, (dL{sup -}/dt), are plotted simultaneously against the barrier layer thickness. A point of intersection of dL{sup -}/dt with dL{sup +}/dt indicates the existence of a metastable barrier layer with a steady state thickness greater than zero. If dL{sup -}/dt > (dL{sup +}/dt){sub L=0}, where the latter quantity is the barrier layer growth rate at zero barrier layer thickness, the barrier layer cannot exist, even as a metastable phase, as the resulting thickness would be negative. Under these conditions, the surface is depassivated and the metal may corrode at a rapid rate. Depassivation may result from a change in the oxidation state of the cation upon dissolution of the barrier layer, such that the dissolution rate becomes highly potential dependent (as in the case of transpassive dissolution of chromium-containing alloys, for example, in which the reaction Cr{sub 2}O{sub 3} + 5H{sub …

Studies of Photochemically Induced Dynamic Nuclear Polarization in Photosynthetic Bacterial Reaction Centers: Wavelength and Time Dependence Solid-state NMR spectra of quinone-reduced photosynthetic bacterial reaction centers (RCs) and chromatophores exhibit certain strongly enhanced lines under illumination, a result of photochemically induced dynamic nuclear polarization (photo-CIDNP). This technique offers a new method to investigate photosynthetic electronic transactions while retaining the NMR advantages of narrow linewidths and site-specific resolution. Pulsed laser illumination at 532 nm was used as the basis for time resolved photo-CIDNP experiments, a technique not previously published for solid-state photosynthetic systems. These measurements offer insight about the origin of the polarization effects.

This study compared the performance of closed crawl spaces, which had sealed foundation wall vents, a sealed polyethylene film liner and various insulation and drying strategies, to traditional wall-vented crawl spaces with perimeter wall vents and polyethylene film covering 100% of the ground surface. The study was conducted at 12 owner-occupied, all electric, single-family detached houses with the same floor plan located on one cul-de-sac in the southeastern United States. Using the matched pairs approach, the houses were divided into three study groups of four houses each. Comparative data was recorded for each house to evaluate sub-metered heat pump energy consumption, relative humidity, wood moisture content, duct infiltration, house infiltration, temperature, radon, and bioaerosol levels. Findings indicated that in the humid conditions of the southeastern United States, a properly closed crawl space is a robust construction measure that produces a substantially drier crawl space and significantly reduces occupied space conditioning energy use on an annual basis.

In certain important physics experiments that search for rare-events, such as neutrino or double beta decay detections, it is critical to minimize the number of background events that arise from alpha particle emitted by the natural radioactivity in the materials used to construct the experiment. Similarly, the natural radioactivity in materials used to connect and package silicon microcircuits must also be minimized in order to eliminate ''soft errors'' caused by alpha particles depositing charges within the microcircuits and thereby changing their logic states. For these, and related reasons in the areas of environmental cleanup and nuclear materials tracking, there is a need that is important from commercial, scientific, and national security perspectives to develop an ultra-low background alpha counter that would be capable of measuring materials' alpha particle emissivity at rates well below 0.00001 alpha/cm{sup 2}/hour. This rate, which corresponds to 24 alpha particles per square meter per day, is essentially impossible to achieve with existing commercial instruments because the natural radioactivity of the materials used to construct even the best of these counters produces background rates at the 0.005 alpha/cm{sup 2}/hr level. Our company (XIA) had previously developed an instrument that uses electronic background suppression to operate at the …

Turbo diesel engine use in passenger cars in Europe has resulted in 30-50% improvement in fuel economy. Diesel engine application is particularly suitable for US because of vehicle size and duty cycle patterns. Adopting this technology for use in the US presents two issues--emissions and driveability. Emissions reduction technology is being well addressed with advanced turbocharging, fuel injection and catalytic aftertreatment systems. One way to address driveability is to eliminate turbo lag and increase low speed torque. Electrically assisted turbocharging concepts incorporated in e-TurboTM designs do both. The purpose of this project is to design and develop an electrically assisted turbocharger, e-TurboTM, for diesel engine use in the US. In this report, early design and development of electrical assist technology is described together with issues and potential benefits. In this early phase a mathematical model was developed and verified. The model was used in a sensitivity study. The results of the sensitivity study together with the design and test of first generation hardware was fed into second generation designs. In order to fully realize the benefits of electrical assist technology it was necessary to expand the scope of work to include technology on the compressor side as well as electronic …

Our theoretical research on dust-plasma interactions has concentrated on three main areas: a)studies of grain charging and applications; b) waves and instabilities in weakly correlated dusty plasma with applications to space and laboratory plasmas; c) waves in strongly coupled dusty plasmas.

This project studied two kinds of nonlinear interactions between ion cyclotron range of frequency waves and fusion plasmas. A wavelet technique was also developed for analyzing the complex wave fields produced by wave propagation codes.