An efficient inversion algorithm has been developed forthree-dimensional (3D) interpretations for single-hole electromagnetic(EM) logging data based on a modified extended Born approximation (MEBA)scheme. The single-hole data was collected at an oil field undergoing CO2injection in southern California using a tool, Geo-BILT, developed byElectromagnetic Instruments, Inc (EMI). The tool is equipped with amulti-component source, and an array of multi-component receivers atdifferent separations. The inversion result provides a reasonableelectrical conductivity image to a distance of 10 m from the well, andillustrates several zones with lateral conductivity variations that couldnot be resolved with traditional induction logging tools. The computercost of the inversion processes can be further reduced using a trivialmulti-grid methodology.

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The current plans for the Yucca Mountain (YM) repository project (YMP) use steel structures to stabilize the disposal drifts and connecting tunnels that are collectively over 100 kilometers in length. The potential exist to reduce the underground construction cost by 100s of millions of dollars and improve the repository's performance. These economic and engineering goals can be achieved by using the appropriate cementitious materials to build out these tunnels. This report describes the required properties of YM compatible cements and reviews the literature that proves the efficacy of this approach. This report also describes a comprehensive program to develop and test materials for a suite of underground construction technologies.

The design and analysis of measurements performed with organic scintillators rely on the use of Monte Carlo codes to simulate the interaction of neutrons and photons, originating from fission and other reactions, with the materials present in the system and the radiation detectors. MCNP-PoliMi is a modification of the MCNP-4c code that models the physics of secondary particle emission from fission and other processes realistically. This characteristic allows for the simulation of the higher moments of the distribution of the number of neutrons and photons in a multiplying system. The present report describes the recent additions to the MCNP-PoliMi post-processing code. These include the simulation of detector dead time, multiplicity, and third order statistics.

The critical height for DNAPL entry into a partially watersaturated, dead-end fracture is derived and compared to laboratoryobservations. Experiments conducted in an analog, parallel-plate fracturedemonstrate that DNAPL accumulates above the water until the height ofthe DNAPL overcomes the sum of the capillary forces at the DNAPL-airinterface and at the DNAPL-water interface. These experiments also showthat DNAPL preferentially enters the water at locations where DNAPL haspreviously entered, and the entry heights for these subsequent entriesare lower than the heights measured for the initial invasion. The wettingcontact angle at the DNAPL-water interface becomes larger at thelocations where the DNAPL has already entered the water because ofresidual DNAPL on the fracture walls, which results in lowering thecritical entry height at those locations. The experiments alsodemonstrate that a DNAPL lens can remain nearly immobile above the waterfor a period of time before eventually redistributing itself and enteringthe water.

Reliable quantitative prediction of contaminant transport in subsurface environments is critical to evaluating the risks associated with radionuclide migration. As part of the Underground Test Area (UGTA) project, radionuclide transport away from various underground nuclear tests conducted in the saturated zone at the Nevada Test Site (NTS) is being examined. In the near-field environment, reactive transport simulations must account for changes in water chemistry and mineralogy as a function of time and their effect on radionuclide migration. Unlike the K{sub d} approach, surface complexation (SC) reactions, in conjunction with ion exchange and precipitation, can be used to describe radionuclide reactive transport as a function of changing environmental conditions. They provide a more robust basis for describing radionuclide retardation in geochemically dynamic environments. The interaction between several radionuclides considered relevant to the UGTA project and iron oxides and calcite are examined in this report. The interaction between these same radionuclides and aluminosilicate minerals is examined in a companion report (Zavarin and Bruton, 2004). Selection criteria for radionuclides were based on abundance, half-life, toxicity to human and environmental health, and potential mobility at NTS (Tompson et al., 1999). Both iron oxide and calcite minerals are known to be present at NTS in …

Recently, studies of the Platte River watershed have gained significant attention from federal and Nebraska, USA, state agencies due to the importance of groundwater/surface-water interactions under drought conditions. Using archive data from a 1983 pumping test, Chen and Chen (2003) interpret the hydraulic properties of the alluvium and a streambed of the Platte River near Kearney, Nebraska, and compare their data with results of other studies performed over the past several years. Three important inconsistencies of this article will be highlighted here: (1) misuse of the analytical model of Hunt (1999), (2) departure of their results from previously published data, and (3) unsatisfactory explanation of these anomalous results.

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We have developed NADS (Nuclear and Atomic Data System), a web-based graphical interface for viewing pointwise and grouped cross-sections and distributions. Our implementation is a client / server model. The client is a Java applet that displays the graphical interface, which has interactive 2-D, 3-D, and 4-D plots and tables. The server, which can serve and perform computations the data, has been implemented in Python using the FUDGE package developed by Bret Beck at LLNL. Computational capabilities include algebraic manipulation of nuclear evaluated data in databases such as LLNL's ENDL-99, ENDF/B-V and ENDF/B-VI as well as user data. Processed data used in LLNL's transport codes are accessible as well. NADS is available from http://nuclear.llnl.gov/

There is much interest in the combustion mechanism of organophosphorus compounds (OPCs) due to their role as potential halon replacements in fire suppression. A continuing investigation of the inhibition activity of organophosphorus compounds under a range of equivalence ratios was performed experimentally and computationally, as measured by the burning velocity. Updates to a previous mechanism were made by the addition and modification of reactions in the mechanism for a more complete description of the recombination reactions. In this work, the laminar flame speed is measured experimentally and calculated numerically for a premixed propane/air flame, under a range of equivalence ratios, undoped and doped with dimethyl methylphosphonate (DMMP). A detailed investigation of the catalytic cycles involved in the recombination of key flame radicals is made for two equivalence ratios, lean and rich. From this, the importance of different catalytic cycles involved in the lean versus rich case is discussed. Although the importance of certain cycles is different under different stoichiometries, the OPCs are similarly effective across the range, demonstrating the robustness of OPCs as flame suppressants. In addition, it is shown that the phosphorus compounds are most active in the high temperature region of the flame. This may, in part, explain …

The classification of time-varying multivariate regional-scale wind fields at a specific location can assist event planning as well as consequence and risk analysis. Further, wind field classification involves data transformation and inference techniques that effectively characterize stochastic wind field variation. Such a classification scheme is potentially useful for addressing overall atmospheric transport uncertainty and meteorological parameter sensitivity issues. Different methods to classify wind fields over a location include the principal component analysis of wind data (e.g., Hardy and Walton, 1978) and the use of cluster analysis for wind data (e.g., Green et al., 1992; Kaufmann and Weber, 1996). The goal of this study is to use a clustering method to classify the winds of a gridded data set, i.e, from meteorological simulations generated by a forecast model.

OpenMP is a widely adopted standard for threading directives across compiler implementations. The standard is very successful since it provides application writers with a simple, portable programming model for introducing shared memory parallelism into their codes. However, the standards do not address key issues for supporting that programming model in development tools such as debuggers. In this paper, we present DMPL, an OpenMP debugger interface that can be implemented as a dynamically loaded library. DMPL is currently being considered by the OpenMP Tools Committee as a mechanism to bridge the development tool gap in the OpenMP standard.

Habitat use has been shown to be an important factor in the bioaccumulation of contaminants in striped bass. This study examines migration in striped bass as part of a larger study investigating bioaccumulation and maternal transfer of xenobiotics to progeny in the San Francisco Estuary system. Habitat use, residence time and spawning migration over the life of females (n = 23) was studied. Female striped bass were collected between Knights Landing and Colusa on the Sacramento River during the spawning runs of 1999 and 2001. Otoliths were removed, processed and aged via otolith microstructure. Subsequently, otoliths were analyzed for strontium/calcium (Sr/Ca) ratio using an electron-microprobe to measure salinity exposure and to distinguish freshwater, estuary, and marine habitat use. Salinity exposure during the last year before capture was examined more closely for comparison of habitat use by the maternal parent to contaminant burden transferred to progeny. Results were selectively confirmed by ion microprobe analyses for habitat use. The Sr/Ca data demonstrate a wide range of migratory patterns. Age of initial ocean entry differs among individuals before returning to freshwater, presumably to spawn. Some fish reside in freshwater year-round, while others return to more saline habitats and make periodic migrations to freshwater. …

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Streak camera breakout and Fabry-Perot interferometer data have been taken on the outer surface of 1.80 g/cm{sup 3} TATB hemispherical boosters initiated by slapper detonators at three temperatures. The slapper causes breakout to occur at 54{sup o} at ambient temperatures and 42{sup o} at -54 C, where the axis of rotation is 0{sup o}. The Fabry velocities may be associated with pressures, and these decrease for large timing delays in breakout seen at the colder temperatures. At room temperature, the Fabry pressures appear constant at all angles. Both fresh and decade-old explosive are tested and no difference is seen. The problem has been modeled with reactive flow. Adjustment of the JWL for temperature makes little difference, but cooling to -54 C decreases the rate constant by 1/6th. The problem was run both at constant density and with density differences using two different codes. The ambient code results show that a density difference is probably there but it cannot be quantified.

The projects application goals are to: (1) To understand bacterial stress-response to the unique stressors in metal/radionuclide contamination sites; (2) To turn this understanding into a quantitative, data-driven model for exploring policies for natural and biostimulatory bioremediation; (3) To implement proposed policies in the field and compare results to model predictions; and (4) Close the experimental/computation cycle by using discrepancies between models and predictions to drive new measurements and construction of new models. The projects science goals are to: (1) Compare physiological and molecular response of three target microorganisms to environmental perturbation; (2) Deduce the underlying regulatory pathways that control these responses through analysis of phenotype, functional genomic, and molecular interaction data; (3) Use differences in the cellular responses among the target organisms to understand niche specific adaptations of the stress and metal reduction pathways; (4) From this analysis derive an understanding of the mechanisms of pathway evolution in the environment; and (5) Ultimately, derive dynamical models for the control of these pathways to predict how natural stimulation can optimize growth and metal reduction efficiency at field sites.

This report summarizes the accomplishments toward project goals during the first twelve months of the project to assess the properties and performance of coal based products. These products are in the gasoline, diesel and fuel oil range and result from coal based jet fuel production from an Air Force funded program. Specific areas of progress include generation of coal based material that has been fractionated into the desired refinery cuts, acquisition and installation of a research gasoline engine, and modification of diesel engines for use in evaluating diesel produced in the project. The desulfurization of sulfur containing components of coal and petroleum is being studied so that effective conversion of blended coal and petroleum streams can be efficiently converted to useful refinery products. Equipment is now in place to begin fuel oil evaluations to assess the quality of coal based fuel oil. Coal samples have procured and are being assessed for cleaning prior to use in coking studies.

An analysis of the links between high impact technologies and publicly funded scientific research.

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The summary of this report is: (1) biogenic flux increases as hydrologic residence time decreases; (2) reaction-based reactive transport modeling can capture this effect; (3) solid-phase Fe(III) bioreduction can be sustained at long residence times in natural sediments; and (4) long-term coupled Fe(III)/U(VI) bioreduction can be sustained in natural sediments.

Analysis of the Genetic Potential and Gene Expression of Microbial Communities Involved in the In Situ Bioremediation of Uranium and Harvesting Electrical Energy from Organic Matter The primary goal of this research is to develop conceptual and computational models that can describe the functioning of complex microbial communities involved in microbial processes of interest to the Department of Energy. Microbial Communities to be Investigated: (1) Microbial community associated with the in situ bioremediation of uranium-contaminated groundwater; and (2) Microbial community that is capable of harvesting energy from waste organic matter in the form of electricity.

This report describes FY 2003 technical studies conducted by the Chemical Biology and Nuclear Science Division (CBND) at Lawrence Livermore National Laboratory (LLNL) in support of the Hydrologic Resources Management Program (HRMP) and the Underground Test Area (UGTA) Project. These programs are administered by the U.S. Department of Energy, National Nuclear Security Administration Nevada Site Office (NNSA/NSO) through the Defense Programs and Environmental Restoration Divisions, respectively. HRMP-sponsored work is directed toward the responsible management of the natural resources at the Nevada Test Site (NTS), enabling its continued use as a staging area for strategic operations in support of national security. UGTA-funded work emphasizes the development of an integrated set of groundwater flow and contaminant transport models to predict the extent of radionuclide migration from underground nuclear testing areas at the NTS. The present report is organized on a topical basis and contains five chapters that reflect the range of technical work performed by LLNL-CBND during FY 2003. Although we have emphasized investigations that were led by CBND, we also participated in a variety of collaborative studies with other UGTA and HRMP contract organizations including the Energy and Environment Directorate at LLNL (LLNL-E&E), Los Alamos National Laboratory (LANL), the Desert Research …

This project goal is to identify genes and gene products required for microbial metal reduction: reductive dissolution of iron; reductive dissolution of manganese; reductive precipitation of selenium; reductive precipitation of uranium; and reductive precipitation of technetium.

Core Leak-off tests are commonly used to ascertain the ability of a drilling fluid to seal permeable rock under downhole conditions. Unfortunately, these tests are expensive and require a long time to set up. To monitor fluid invasion trends and to evaluate potential treatments for reducing fluid invasion on location, a simpler screening test is highly desirable. The Capillary Suction Time (CST) Test has been used since the 1970's as a fast, yet reliable, method for characterizing fluid filterability and the condition of colloidal materials in water treatment facilities and drilling fluids. For the latter, it has usually been applied to determine the state of flocculation of clay-bearing fluids and to screen potential shale inhibitors. In this work, the CST method was evaluated as a screening tool for predicting relative invasion rates of drilling fluids in permeable cores. However, the drilling fluids examined--DRILPLEX, FLOPRO, and APHRON ICS--are all designed to generate low fluid loss and give CST values that are so high that fluid invasion comes to be dominated by experimental artifacts, such as fluid evaporation. As described in this work, the CST procedure was modified so as to minimize such artifacts and permit differentiation of the fluids under investigation.