Volume 2 provides estimated chemical and radionuclide inventories of sludge currently stored within the Hanford Site's 105-K Basin This volume also provides estimated chemical and radionuclide inventories for the sludge streams expected to be generated during Spent Nuclear Fuel (SNF) Project activities.

Since the last report, there have been no material changes in the detector element inventories in buildings 151 and 332 at LLNL. Stable element inventories in building 151 have remained stable since the inventory in September 2005. For the first time in many years, Stockpile Radiochemistry personnel viewed radioactive tracer materials that reside in building 332. A list of LLNL tracers and locations are available under separate cover. Despite the recent NNSA agreement to retain 2.8 kg of {sup 233}U for programmatic purposes, we have yet to identify a location that is appropriate and will accept the material. A recent visit to the Oak Ridge National Laboratory (ORNL) in September 2006 revealed nearly 190 kg of material with very high {sup 233}U content scheduled for down-blending in various chemical and isotopic forms. The chemical form, isotopic and chemical purities of this material were such that roughly 150 kg of the material was of comparable composition to the desired tracer package material and would be acceptable for use in an underground test, should the US even conduct such a test. Efforts continue to remove 2.8 kg of material from the down-blend cue and reserve it for the Test Readiness mission.

This project consists of two activities. Task A, Simulations and Measurements, combines all the material model development and associated numerical work with the materials-oriented experimental activities. The goal of this effort is to provide an improved understanding of dynamic material properties and to provide accurate numerical representations of those properties for use in analysis codes. Task B, ALE3D Development, involves general development activities in the ALE3D code with the focus of improving simulation capabilities for problems of mutual interest to DoD and DOE. Emphasis is on problems involving multi-phase flow, blast loading of structures and system safety/vulnerability studies.

This report gives information about the Adaptation of subsurface microbial communities to mercury.

In the next decades, oil exploration by majors and independents will increasingly be in remote, inaccessible areas, or in areas where there has been extensive shallow exploration but deeper exploration potential may remain; areas where the collection of data is expensive, difficult, or even impossible, and where the most efficient use of existing data can drive the economics of the target. The ability to read hydrocarbon chemistry in terms of subsurface migration processes by relating it to the evolution of the basin and fluid migration is perhaps the single technological capability that could most improve our ability to explore effectively because it would allow us to use a vast store of existing or easily collected chemical data to determine the major migration pathways in a basin and to determine if there is deep exploration potential. To this end a the DOE funded a joint effort between California Institute of Technology, Cornell University, and GeoGroup Inc. to assemble a representative set of maturity and maturation kinetic models and develop an advanced basin model able to predict the chemistry of hydrocarbons in a basin from this input data. The four year project is now completed and has produced set of public domain …

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 …

We report the ongoing work of our group in hydrodynamics and radiation hydrodynamics with astrophysical applications. During the period of the existing grant, we have carried out two types of experiments at the Omega laser. One set of experiments has studied radiatively collapsing shocks, obtaining data using a backlit pinhole with a 100 ps backlighter and beginning to develop the ability to look into the shock tube with optical or x-ray diagnostics. Other experiments have studied the deeply nonlinear development of the Rayleigh-Taylor (RT) instability from complex initial conditions, using dual-axis radiographic data with backlit pinholes and ungated detectors to complete the data set for a Ph.D. student. We lead a team that is developing a proposal for experiments at the National Ignition Facility and are involved in experiments at NIKE and LIL. All these experiments have applications to astrophysics, discussed in the corresponding papers. We assemble the targets for the experiments at Michigan, where we also prepare many of the simple components. We also have several projects underway in our laboratory involving our x-ray source. The above activities, in addition to a variety of data analysis and design projects, provide good experience for graduate and undergraduates students. In the …

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We consider the possibility that supernovae which form hyper-accreting black holes might be responsible for synthesis of r-process elements with mass A {approx}< 130. Calculations are presented which show that these elements are naturally synthesized in neutron-rich magnetically-dominated bubbles born in the inner regions of a black hole accretion disk. Simple considerations suggest that the total mass ejected in the form of these bubbles is about that needed to account for the entire galactic inventory of the 2nd-peak r-process elements. We also argue that if collapsars are responsible for, e.g., Ag synthesis, then Ag abundances should be correlated with Sc and/or Zn abundances in metal-poor stars.

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We summarize four of our group's high-risk/high-payoff research projects funded by the Intelligence Technology Innovation Center (ITIC) in conjunction with our DHS-funded pathogen informatics activities. These are (1) quantitative assessment of genomic sequencing needs to predict high quality DNA and protein signatures for detection, and comparison of draft versus finished sequences for diagnostic signature prediction; (2) development of forensic software to identify SNP and PCR-RFLP variations from a large number of viral pathogen sequences and optimization of the selection of markers for maximum discrimination of those sequences; (3) prediction of signatures for the detection of virulence, antibiotic resistance, and toxin genes and genetic engineering markers in bacteria; (4) bioinformatic characterization of virulence factors to rapidly screen genomic data for potential genes with similar functions and to elucidate potential health threats in novel organisms. The results of (1) are being used by policy makers to set national sequencing priorities. Analyses from (2) are being used in collaborations with the CDC to genotype and characterize many variola strains, and reports from these collaborations have been made to the President. We also determined SNPs for serotype and strain discrimination of 126 foot and mouth disease virus (FMDV) genomes. For (3), currently >1000 probes …

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The cyclotide MCoTI-II is a powerful trypsin inhibitor recently isolated from the seeds of Momordica cochinchinensis, a plant member of cucurbitaceae family. We report for the first time the in vivo biosynthesis of natively-folded MCoTI-II inside live E. coli cells. Our biomimetic approach involves the intracellular backbone cyclization of a linear cyclotide-intein fusion precursor mediated by a modified protein splicing domain. The cyclized peptide then spontaneously folds into its native conformation. The use of genetically engineered E. coli cells containing mutations in the glutathione and thioredoxin reductase genes considerably improves the production of folded MCoTI-II in vivo. Biochemical and structural characterization of the recombinant MCoTI-II confirmed its identity. Biosynthetic access to correctly-folded cyclotides allows the possibility of generating cell-based combinatorial libraries that can be screened inside living cells for their ability to modulate or inhibit cellular processes.

Predictions of increasing levels of anthropogenic carbon dioxide (CO{sub 2}) and the specter of global warming have intensified research efforts to identify ways to sequester carbon. A number of novel avenues of research are being considered, including bioprocessing methods to promote and accelerate biosequestration of CO{sub 2} from the environment through the growth of organisms such as coccolithophorids, which are capable of sequestering CO{sub 2} relatively permanently. Calcium and magnesium carbonates are currently the only proven, long-term storage reservoirs for carbon. Whereas organic carbon is readily oxidized and releases CO{sub 2} through microbial decomposition on land and in the sea, carbonates can sequester carbon over geologic time scales. This proposal investigates the use of coccolithophorids--single-celled, marine algae that are the major global producers of calcium carbonate--to sequester CO{sub 2} emissions from power plants. Cultivation of coccolithophorids for calcium carbonate (CaCO{sub 3}) precipitation is environmentally benign and results in a stable product with potential commercial value. Because this method of carbon sequestration does not impact natural ecosystem dynamics, it avoids controversial issues of public acceptability and legality associated with other options such as direct injection of CO{sub 2} into the sea and ocean fertilization. Consequently, cultivation of coccolithophorids could be carried …

Over the past two decades, numerous studies have produced high quality information on the rates at which bacteria can reduce metal oxides. The prototypical study--such as the one depicted to the right--focuses on only a few of the myriad variables affecting the rate. This approach allows for effective dissection of the mechanisms underlying DMRB activity, but, it also produces disjoint information that must be synthesized if we hope to predict the behavior of bacteria at the systems level.

This analysis report is one of a series of technical reports that document the Environmental Radiation Model for Yucca Mountain, Nevada (ERMYN), a biosphere model supporting the total system performance assessment (TSPA) for the geologic repository at Yucca Mountain. This report is one of the five biosphere reports that develop input parameter values for the biosphere model. The ''Biosphere Model Report'' (BSC 2004 [DIRS 169460]) describes the conceptual model, as well as the mathematical model and its input parameters. Figure 1-1 is a graphical representation of the documentation hierarchy for the ERMYN. This figure shows relationships among the products (i.e., scientific analyses and model reports) developed for biosphere modeling and biosphere abstraction products for TSPA, as identified in the ''Technical Work Plan for Biosphere Modeling and Expert Support'' (BSC 2005 [DIRS 172782]). The purpose of this analysis report is to define values for biosphere model parameters that are related to the dietary, lifestyle, and dosimetric characteristics of the receptor. The biosphere model, consistent with the licensing rule at 10 CFR Part 63 [DIRS 173164], uses a hypothetical person called the reasonably maximally exposed individual (RMEI) to represent the potentially exposed population. The parameters that define the RMEI are based on …

Fully-stabilized nanometric zirconia samples with varying degrees of porosity and grain sizes were analyzed using the coincidence Doppler broadening mode of the positron annihilation spectroscopy (PAS). A decrease in the low momentum fraction was observed and coincided with a decrease in porosity. In addition to pores, it is proposed that defects in the negatively charges grain boundary space region act as positron trapping centers; their effectiveness decreases with an increase in grain size. It is shown that PAS is sensitive to small grain size differences within the nanometric regime in these oxide materials.

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Fracture mechanics methodologies for flaw stability analysis of a storage tank were compared in terms of the maximum stable through-wall flaw sizes or ''instability lengths.'' The comparison was made at a full range of stress loading at a specific set of mechanical properties of A285 carbon steel and with the actual tank configuration. The two general methodologies, the J-integral-tearing modulus (J-T) and the failure assessment diagram (FAD), and their specific estimation schemes were evaluated. A finite element analysis of a flawed tank was also performed for validating the J estimation scheme with curvature correction and for constructing the finite element-based FAD. The calculated instability crack lengths show that the J-T methodology that uses an estimated scheme, and the material-specific FAD, most closely approximate the result calculated with finite element analysis for the stress range that bounds those expected at the highest fill levels in the storage tanks. The results from the other FAD methods show instability lengths less than the J-T results over this range.

Cross-comparison of the results of two computer codes for the same problem provides a mutual validation of their computational methods. This cross-validation exercise was performed for LLNL's ALE3D code and AKTS's Thermal Safety code, using the thermal ignition of HMX in two standard LLNL cookoff experiments: the One-Dimensional Time to Explosion (ODTX) test and the Scaled Thermal Explosion (STEX) test. The chemical kinetics model used in both codes was the extended Prout-Tompkins model, a relatively new addition to ALE3D. This model was applied using ALE3D's new pseudospecies feature. In addition, an advanced isoconversional kinetic approach was used in the AKTS code. The mathematical constants in the Prout-Tompkins code were calibrated using DSC data from hermetically sealed vessels and the LLNL optimization code Kinetics05. The isoconversional kinetic parameters were optimized using the AKTS Thermokinetics code. We found that the Prout-Tompkins model calculations agree fairly well between the two codes, and the isoconversional kinetic model gives very similar results as the Prout-Tompkins model. We also found that an autocatalytic approach in the beta-delta phase transition model does affect the times to explosion for some conditions, especially STEX-like simulations at ramp rates above 100 C/hr, and further exploration of that effect is warranted.

Yucca Mountain, Nevada, was designated in 2002 to be the site for the nation's first permanent geological repository for spent nuclear fuel and high-level radioactive waste. The process of selecting a site for the repository began nearly 25 years ago with passage of the Nuclear Waste Policy Act in 1982. The Department of Energy (DOE) is responsible for submitting a license application to the Nuclear Regulatory Commission for constructing and operating the repository, and DOE's Office of Civilian Radioactive Waste Management (OCRWM) is charged with carrying out this action. The use of multiple natural and engineered barriers in the current repository design are considered by OCRWM to be sufficiently robust to warrant license approval; however, potential design enhancements and increased understanding of both natural and engineered barriers, especially over the long time frames during which the waste is to remain isolated from human contact continue to be examined. The Office of Science and Technology and International (OST&I) was created within OCRWM to help explore novel technologies that might lower overall costs and to develop a greater understanding of processes relevant to the long-term performance of the repository. A brief overview of Yucca Mountain, and the role that OST&I has in …

Typically, large scientific datasets (order of terabytes) are generated at large computational centers, and stored on mass storage systems. However, large subsets of the data need to be moved to facilities available to application scientists for analysis. File replication of thousands of files is a tedious, error prone, but extremely important task in scientific applications. The automation of the file replication task requires automatic space acquisition and reuse, and monitoring the progress of staging thousands of files from the source mass storage system, transferring them over the network, archiving them at the target mass storage system or disk systems, and recovering from transient system failures. We have developed a robust replication system, called DataMover, which is now in regular use in High-Energy-Physics and Climate modeling experiments. Only a single command is necessary to request multi-file replication or the replication of an entire directory. A web-based tool was developed to dynamically monitor the progress of the multi-file replication process.

The phase diagrams of Ce, Th, and Pu metals have been studied by means of density-functional theory (DFT). In addition to these metals, the phase stability of Ce-Th and Pu-Am alloys has been also investigated from first-principles calculations. Equation-of-state (EOS) for Ce, Th, and the Ce-Th alloys has been calculated up to 1 Mbar pressure in good comparison to experimental data. Present calculations shows that the Ce-Th alloys adopt a body-centeredtetragonal (bct) structure upon hydrostatic compression that is in excellent agreement with measurements. The ambient pressure phase diagram of Pu is shown to be very poorly described by traditional DFT but rather well modeled when including magnetic interactions. In particular, the anomalous {var_sigma} phase of Pu is shown to be stabilized by magnetic disorder at elevated temperatures. The Pu-Am system has also been studied in a similar fashion and it is shown that this system, for about 25% Am content, becomes antiferromagnetic below about 400 K that corroborate the recent discovery of a Curie-Weiss behavior in this system.