COGEMA Engineering Corporation (COGEMA), under a contract from CH2M Hill Hanford Group (CH2M Hill), has performed an ultrasonic nondestructive examination of selected portions of Double-Shell Tank 241-SY-101. The purpose of this examination was to provide information that could be used to evaluate the integrity of the wall of the primary tank. The requirements for the ultrasonic examination of Tank 241-SY-101 were to detect, characterize (identify, size, and locate), and record measurements made of any wall thinning, pitting, or cracks that might be present in the wall of the primary tank. Any measurements that exceed the requirements set forth in the Engineering Task Plan (ETP), RPP-17750 (Jensen 2003) and summarized on page 1 of this document, are reported to CH2M Hill and the Pacific Northwest National Laboratory (PNNL) for further evaluation. Under the contract with CH2M Hill, all data is to be recorded on disk and paper copies of all measurements are provided to PNNL for third-party evaluation. PNNL is responsible for preparing a report that describes the results of the COGEMA ultrasonic examinations.

The performance of parallel Monte Carlo transport calculations which use both spatial and particle parallelism is increased by dynamically assigning processors to the most worked domains. Since the particle work load varies over the course of the simulation, this algorithm determines each cycle if dynamic load balancing would speed up the calculation. If load balancing is required, a small number of particle communications are initiated in order to achieve load balance. This method has decreased the parallel run time by more than a factor of three for certain criticality calculations.

Raman scattering activities and Raman-active frequencies are reported for the minimum energy structure of azafullerene C{sub 48}N{sub 12} at the B3LYP/6-31G* level of theory. Analysis of the vibrational spectrum shows that the most intense IR and Raman bands are those associated with C-C vibrations, and that strong IR and Raman C-N vibrations occur below 1400 cm{sup -1}. Together with the recently reported infrared, optical absorption and x-ray spectroscopies, a complete identification of this cluster should now be feasible.

The new heavy ion synchrotron facility proposed by GSI will have two superconducting magnet rings in the same tunnel, with rigidities of 300 T-m and 100 T-m. Fast ramp times are needed, which can cause significant problems for the magnets, particularly in the areas of ac loss and magnetic field distortion. The development of the low loss Rutherford cable that can be used is described, together with a novel insulation scheme designed to promote efficient cooling. Measurements of contact resistance in the cable are presented and the results of these measurements are used to predict the ac losses, in the magnets during fast ramp operation. For the high energy ring, a lm model dipole magnet was built, based on the RHIC dipole design. This magnet was tested under boiling liquid helium in a vertical cryostat. The quench current showed very little dependence on ramp rate. The ac losses, measured by an electrical method, were fitted to straight line plots of loss/cycle versus ramp rate, thereby separating the eddy current and hysteresis components. These results were compared with calculated values, using parameters which had previously been measured on short samples of cable. Reasonably good agreement between theory and experiment was found, …

The authors present the results from an analysis of Hubble Space Telescope High Resolution Camera data for the Large Magellanic Cloud microlensing event MACHO-LMC-5. By determining the parallax and proper motion of this object they find that the lens is an M dwarf star at a distance of 578{sub -53}{sup +65}pc with a proper motion of 21.39 {+-} 0.04 mas/yr. Based on the kinematics and location of this star is it more likely to be part of the Galactic thick disk than thin disk population. They confirm that the microlensing event LMC-5 is a jerk-parallax microlensing event.

With the advent of nanotechnology, predictive simulations of nanoscale systems have become in great demand. In some cases nanoscale systems can be simulated directly at the level of atoms. The atomistic techniques used range from models based on a quantum mechanical treatment of the electronic bonds to those based on more empirical descriptions of the interatomic forces. In many cases, however, even nanoscale systems are too big for a purely atomistic approach, typically because the nanoscale device is coupled to its surroundings, and it is necessary to simulate the entire system comprising billions of atoms. A well-known example is the growth of nanoscale epitaxial quantum dots in which the size, shape and location of the dot is affected by the elastic strain developed in a large volume of the substrate as well as the local atomic bonding. The natural solution is to model the surroundings with a more coarse-grained description, suitable for the intrinsically longer length scale. The challenge then is to develop the computational methodology suitable for this kind of concurrent multiscale modeling, one in which the simulated length scale can be changed smoothly and seamlessly from one region of the simulation to another while maintaining the fidelity of …

The technique of accelerator mass spectrometry (AMS) was validated successfully and utilized to study the pharmacokinetics and disposition in dogs of a preclinical drug candidate (Compound A), after oral and intravenous administration. The primary objective of this study was to examine whether Compound A displayed linear kinetics across sub-pharmacological (microdose) and pharmacological dose ranges in an animal model, prior to initiation of a human microdose study. The AMS-derived disposition properties of Compound A were comparable to data obtained via conventional techniques such as LC-MS/MS and liquid scintillation counting analyses. Thus, Compound A displayed multiphasic kinetics and possessed low plasma clearance (4.4 mL/min/kg), a long terminal elimination half-life (19.4 hr) and high oral bioavailability (82%). Currently there are no published comparisons of the kinetics of a pharmaceutical compound at pharmacological versus sub-pharmacological doses employing microdosing strategies. The present study thus provides the first description of the pharmacokinetics of a drug candidate assessed under these two dosing regimens. The data demonstrated that the pharmacokinetic properties of Compound A were similar following dosing at 0.02 mg/kg as at 1 mg/kg, indicating that in the case of Compound A, the kinetics of absorption, distribution and elimination in the dog appear to be linear across …

This paper contains three analytical solutions of transport problems which can be used to test ray-effect errors in the numerical solutions of the Boltzmann Transport Equation (BTE). We derived the first two solutions and the third was shown to us by M. Prasad. Since this paper is intended to be an internal LLNL report, no attempt was made to find the original derivations of the solutions in the literature in order to cite the authors for their work.

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Shaped like a mailbox on wheels, it's been called a bioterrorism ''smoke detector.'' It can be found in transportation hubs such as airports and subways, and it may be coming to a location near you. Formally known as the Autonomous Pathogen Detection System, or APDS, this latest tool in the war on bioterrorism was developed at Lawrence Livermore National Laboratory to continuously sniff the air for airborne pathogens and toxins such as anthrax or plague. The APDS is the modern day equivalent of the canaries miners took underground with them to test for deadly carbon dioxide gas. But this canary can test for numerous bacteria, viruses, and toxins simultaneously, report results every hour, and confirm positive samples and guard against false positive results by using two different tests. The fully automated system collects and prepares air samples around the clock, does the analysis, and interprets the results. It requires no servicing or human intervention for an entire week. Unlike its feathered counterpart, when an APDS unit encounters something deadly in the air, that's when it begins singing, quietly. The APDS unit transmits a silent alert and sends detailed data to public health authorities, who can order evacuation and begin treatment …

Human analysts are often unable to meet time constraints on analysis and interpretation of large volumes of remotely sensed imagery. To address this problem, the Image Content Engine (ICE) system currently under development is organized into an off-line component for automated extraction of image features followed by user-interactive components for content detection and content-based query processing. The extracted features are vectors that represent attributes of three entities, namely image tiles, image regions and shapes, or suspected matches to models of objects. ICE allows users to interactively specify decision thresholds so that content (consisting of entities whose features satisfy decision criteria) can be detected. ICE presents detected content to users as a prioritized series of thumbnail images. Users can either accept the detection results or specify a new set of decision thresholds. Once accepted, ICE stores the detected content in database tables and semantic graphs. Users can interactively query the tables and graphs for locations at which prescribed relationships between detected content exist. New queries can be submitted repeatedly until a satisfactory series of prioritized thumbnail image cues is produced. Examples are provided to demonstrate how ICE can be used to assist users in quickly finding prescribed collections of entities (both …

Yoffe's linear theory of dynamic brittle fracture suggests that crack motion will be unstable beyond {approx}70% of the Rayleigh speed, a prediction that is not supported by experiment. We show by atomistic simulations that hyperelasticity, the elasticity of large strains, plays a governing role in the instability dynamics of brittle fracture. A simple scaling model based on an effective elastic modulus, coupled with Yoffe's solution, gives successful predictions for the onset speed of the crack instability.

Lawrence Livermore National Laboratory (LLNL) has been performing accountability measurements of plutonium (Pu) -bearing items with the 30-gallon drum neutron multiplicity counter (NMC) since August 1998. A previous paper focused on the LLNL experience with Pu-bearing oxide and metal items. This paper expands on the LLNL experience with Pu-bearing salts containing low masses of Pu. All Pu-bearing salts used in this study were measured using calorimetry and gamma isotopic analyses (Cal/Iso) as well as the 30-gallon drum NMC. The Cal/Iso values were treated as being the true measure of Pu content because of the inherent high accuracy of the Cal/Iso technique, even at low masses of Pu, when measured over a sufficient period of time. Unfortunately, the long time period required to achieve high accuracy from Cal/Iso can impact other required accountability measurements. The 30-gallon drum NMC is a much quicker system for making accountability measurements of a Pu-bearing salt and might be a desirable tradeoff. The accuracy of 30-gallon drum NMC measurements of Pu-bearing salts, relative to that of Cal/Iso, is presented in relation to the mass range and alpha associated with each item. Conclusions drawn from the use of the 30-gallon drum NMC for accountability measurements of salts …

The growth of nanocrystalline MoO{sub 3} islands on Au(111) using physical vapor deposition of Mo has been studied by scanning tunneling microscopy (STM) and low energy electron diffraction (LEED). The growth conditions affect the shape and distribution of the MoO{sub 3} nanostructures, providing a means of preparing materials with different percentages of edge sites that may have different chemical and physical properties than atoms in the interior of the nanostructures. MoO{sub 3} islands were prepared by physical vapor deposition of Mo and subsequent oxidation by NO{sub 2}exposure at temperatures between 450 K and 600 K. They exhibit a crystalline structure with a c(4x2) periodicity relative to unreconstructed Au(111). While the atomic-scale structure is identical to that of MoO{sub 3} islands prepared by chemical vapor deposition, we demonstrate that the distribution of MoO{sub 3} islands on the Au(111) surface reflects the distribution of Mo clusters prior to oxidation although the growth of MoO{sub 3} involves long-range mass transport via volatile MoO{sub 3} precursor species. The island morphology is kinetically controlled at 450 K, whereas an equilibrium shape is approached at higher preparation temperatures or after prolonged annealing at the elevated temperature. Mo deposition at or above 525 K leads to the …

Although there are five effective shear moduli for any layered VTI medium, one and only one effective shear modulus of the layered system (namely the uniaxial shear) contains all the dependence of pore fluids on the elastic or poroelastic constants that can be observed in vertically polarized shear waves. Pore fluids can increase the magnitude the shear energy stored in this modulus by an amount that ranges from the smallest to the largest effective shear moduli of the VTI system. But, since there are five shear moduli in play, the overall increase in shear energy due to fluids is reduced by a factor of about 5 in general. We can therefore give definite bounds on the maximum increase of overall shear modulus, being about 20% of the allowed range as liquid is fully substituted for gas. An attendant increase of density (depending on porosity and fluid density) by approximately 5 to 10% decreases the shear wave speed and, thereby, partially offsets the effect of this shear modulus increase. The final result is an increase of shear wave speed on the order of 5 to 10%. This increase is shown to be possible under most favorable circumstances - i.e. when the …

This paper describes the solution to a unique and challenging mixture experiment design problem involving: (1) 19 and 21 components for two different parts of the design, (2) many single-component and multi-component constraints, (3) augmentation of existing data, (4) a layered design developed in stages, and (5) a no-candidate-point optimal design approach. The problem involved studying the liquidus temperature of spinel crystals as a function of nuclear waste glass composition. The statistical objective was to develop an experimental design by augmenting existing glasses with new nonradioactive and radioactive glasses chosen to cover the designated nonradioactive and radioactive experimental regions. The existing 144 glasses were expressed as 19-component nonradioactive compositions and then augmented with 40 new nonradioactive glasses. These included 8 glasses on the outer layer of the region, 27 glasses on an inner layer, 2 replicate glasses at the centroid, and one replicate each of three existing glasses. Then, the 144 + 40 = 184 glasses were expressed as 21-component radioactive compositions and augmented with 5 radioactive glasses. A D-optimal design algorithm was used to select the new outer layer, inner layer, and radioactive glasses. Several statistical software packages can generate D-optimal experimental designs, but nearly all require a set …

Alloy 22 (N06022) is highly resistant to crevice corrosion in pure chloride (Cl{sup -}) solutions. Little research has been conducted to explore the resistance of this alloy to other halides such as fluoride (F{sup -}) and bromide (Br{sup -}). Even less information is available exploring the behavior of localized corrosion for Alloy 22 in mixtures of the halide ions. Standard electrochemical tests such as polarization resistance and cyclic potentiodynamic polarization (CPP), were conducted to explore the resistance to corrosion of Alloy 22 in deaerated aqueous solutions of 1 M NaCl, 1 M NaF and 0.5 M NaCl + 0.5 M NaF solutions at 60 C and 90 C. Results show that the general corrosion rate was the lowest in the mixed halide solution and the highest in the pure chloride solution. Alloy 22 was not susceptible to localized corrosion in the pure fluoride solution. In 1 M NaCl solution, Alloy 22 was susceptible to crevice corrosion at 90 C. In the mixed halide solution Alloy 22 was susceptible to crevice corrosion both at 60 C and 90 C.

An analytical method that employs ion chromatography has been developed to more fully exploit the use of fluorobenzoic acids (FBAs) and halides as hydrologic tracers. In a single run, this reliable, sensitive, and robust method can simultaneously separate and quantify halides (fluoride, chloride, bromide, and iodide) and up to seven FBAs from other common groundwater constituents (e.g., nitrate and sulfate). The usefulness of this ion chromatographic (IC) analytical method is demonstrated in both field and laboratory tracer experiments. Field experiments in unsaturated tuff featuring fractures or a fault show that this efficient and cost-effective method helps achieve the objectives of tracer studies that use multiple FBAs and/or diffusivity tracers (simultaneous use of one or more FBA and halide). The field study examines the hydrologic response of fractures and the matrix to different flow rates and the contribution of matrix diffusion in chemical transport. Laboratory tracer experiments with eight geologic media from across the United States--mostly from Department of Energy facilities where groundwater contamination is prevalent and where subsurface characterization employing tracers has been ongoing or is in need--reveal several insights about tracer transport behavior: (1) Bromide and FBAs are not always transported conservatively. (2) The delayed transport of these anionic …

We have conducted studies to fully characterize the mass spectral signature of individual Bacillus atrophaeus, previously known as Bacillus subtilis var niger or Bacillus globigii, spores obtained in matrix-free bioaerosol mass spectrometry (BAMS). Mass spectra of spores grown in unlabeled, {sup 13}C-labeled and {sup 15}N-labeled growth media are used to determine the number of carbon and nitrogen atoms associated with each mass peak. To determine the parent ion structure associated with fragment ions present in the spore spectra, the mass-to-charge (m/z) fragmentation pattern of several chemical standards was obtained. Our results agree with prior assignments of dipicolinic acid, amino acids and calcium complex ions made in the spore mass spectra. Identity of several previously unidentified mass peaks, key to recognition of Bacillus spore by matrix-free BAMS, is revealed. Specifically, a set of fragment peaks in the negative polarity is shown to be consistent with the fragmentation pattern of purine nucleobase containing compounds. The identity of m/z=+74, a marker peak that helps discriminate Bacillus atrophaeus from Bacillus thuringiensis spores grown in rich medium, is surprisingly a non-description, viz. [N{sub 1}C{sub 4}H{sub 12}]{sup +}. A probable precursor molecule for the [N{sub 1}C{sub 4}H{sub 12}]{sup +} ion observed in spore spectra is trimethyl …

The warm density matter regime of high energy density physics [1, 2, 3] has a high scientific discovery potential for the properties of plasmas at high densities and pressures and at moderate temperatures (kT) in which the Coulomb interaction energy between plasma particles exceed kT. This leads to correlations in the plasma characterized by the dimensionless ''coupling'' parameter {Lambda} > 1, where {Lambda} is defined by {Lambda} = q{sup 2}n{sup 1/3}/kT. Here q is the effective ion charge and n the ion density. Strongly-coupled plasmas with {Lambda} > 1 are difficult to study analytically and by numerical simulation. Many astrophysical systems (e.g., brown dwarfs, and giant planets) and inertial fusion plasmas in the beginning stages of compression fall into this regime. There is an opportunity to develop improved understanding and models through accurate measurements of properties in the large parameter space of temperature and density where data is currently limited or non-existent. X-ray free-electron lasers (Fourth generation light sources), ultra-short pulse and high energy optical lasers, pulsed-power z-pinch x-ray sources, and high explosives are all capable of producing warm dense matter conditions at various temperatures, pressures, and sample sizes. Therefore, the challenge is not how to create warm dense matter …

A stress corrosion cracking (SCC) model has been adapted for performance prediction of high level radioactive-waste packages to be emplaced in the proposed Yucca Mountain radioactive-waste repository. SCC is one form of environmentally assisted cracking resulting from the presence of three factors: metallurgical susceptibility, critical environment, and tensile stresses. For waste packages of the proposed Yucca Mountain repository, the outer barrier material is the highly corrosion-resistant Alloy UNS-N06022, the environment is represented by the water film present on the surface of the waste package from dripping or deliquescence of soluble salts present in any surface deposits, and the stress is principally the weld induced residual stress. SCC has historically been separated into 'initiation' and 'propagation' phases. Initiation of SCC will not occur on a smooth surface if the surface stress is below a threshold value defined as the threshold stress. Cracks can also initiate at and propagate from flaws (or defects) resulting from manufacturing processes (such as welding). To account for crack propagation, the slip dissolution/film rupture (SDFR) model is adopted to provide mathematical formulae for prediction of the crack growth rate. Once the crack growth rate at an initiated SCC is determined, it can be used by the performance …

An archaeological excavation was conducted at the site of proposed groundwater monitoring well 199-K-131 in support of the 100-KR-4 Pump-and-Treat Project between June 2 and 3, 2004. Excavations confirmed that there were no intact cultural deposits at the proposed well location. This report was prepared to document the findings of the test excavation.

This document describes the U.S. Department of Energy's (DOE) Hanford Site environment. It is updated each year and is intended to provide a consistent description of the Hanford Site environment for the many National Environmental Policy Act (NEPA) documents being prepared by DOE contractors. No statements of significance or environmental consequences are provided. This year's report is the sixteenth revision of the original document published in 1988 and is (until replaced by the seventeenth revision) the only version that is relevant for use in the preparation of Hanford NEPA, State Environmental Policy Act (SEPA), and Comprehensive Environmental Response, Compensation, and Liability Act (CERCLA) documents. The two chapters included in this document (Chapters 4 and 6) are numbered to correspond to the chapters where such information is typically presented in environmental impact statements (Weiss) and other Hanford Site NEPA or CERCLA documentation. Chapter 4.0 (Affected Environment) describes Hanford Site climate and meteorology, geology, hydrology, ecology, cultural, archaeological, and historical resources, socioeconomics, occupational safety and health, and noise. Chapter 6.0 (Statutory and Regulatory Requirements) describes federal and state laws and regulations, DOE directives and permits, and presidential executive orders that are applicable to the NEPA documents prepared for Hanford Site activities.

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