This presentation was given at the DOE Office of Science-Environmental Management Science Program (EMSP) High-Level Waste Workshop held on January 19-20, 2005 at the Savannah River Site.

Spent nuclear fuels from foreign and domestic research and test reactors are being returned to the Savannah River Site for storage with other nuclear materials in the L-Basin. Recent efforts have consolidated the fuel storage systems and L-Basin has become the SRS site for wet storage of spent nuclear fuels. Corrosion surveillance of coupons in this basin is being performed to provide assurance of safe storage of spent fuel. This paper describes the highlights of recent studies on these aluminum coupons after immersion for more than 7 years in L-Basin. Selected coupons were metallurgically characterized to establish the existence of general corrosion and pitting. Minor pitting corrosion was observed on the intentionally galvanically coupled samples and creviced coupons, thus demonstrating that localized concentration cells were formed during the exposure period. In these cases, the susceptibility to pitting was not attributed to aggressive basin water chemistry but to localized conditions--crevices and galvanic coupling--that allowed the development of oxygen and/or metal ion concentration cells that produced locally aggressive waters. General corrosion was also observed on some of the coupons. None of the coupons were pre-oxidized to form a protective oxide as compared to the spent fuel which was oxidized during reactor operations. …

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''Hidden'' geothermal systems are systems devoid of obvious surface hydrothermal manifestations. Emissions of moderate-to-low solubility gases may be one of the primary near-surface signals from these systems. We investigate the potential for CO2 detection and monitoring below and above ground in the near-surface environment as an approach to exploration targeting hidden geothermal systems. We focus on CO2 because it is the dominant noncondensible gas species in most geothermal systems and has moderate solubility in water. We carried out numerical simulations of a CO2 migration scenario to calculate the magnitude of expected fluxes and concentrations. Our results show that CO2 concentrations can reach high levels in the shallow subsurface even for relatively low geothermal source CO2 fluxes. However, once CO2 seeps out of the ground into the atmospheric surface layer, winds are effective at dispersing CO2 seepage. In natural ecological systems in the absence of geothermal gas emissions, near-surface CO2 fluxes and concentrations are predominantly controlled by CO2 uptake by photosynthesis, production by root respiration, microbial decomposition of soil/subsoil organic matter, groundwater degassing, and exchange with the atmosphere. Available technologies for monitoring CO2 in the near-surface environment include the infrared gas analyzer, the accumulation chamber method, the eddy covariance method, hyperspectral …

The urgent need for high-efficiency, low-emission energy utilization technologies for transportation, power generation, and manufacturing processes presents difficult challenges to the combustion research community. The required predictive understanding requires systematic knowledge across the full range of physical scales involved in combustion processes--from the properties and interactions of individual molecules to the dynamics and products of turbulent multi-phase reacting flows. Innovative experimental techniques and computational approaches are revolutionizing the rate at which chemical science research can produce the new information necessary to advance our combustion knowledge. But the increased volume and complexity of this information often makes it even more difficult to derive the systems-level knowledge we need. Combustion researchers have responded by forming interdisciplinary communities intent on sharing information and coordinating research priorities. Such efforts face many barriers, however, including lack of data accessibility and interoperability, missing metadata and pedigree information, efficient approaches for sharing data and analysis tools, and the challenges of working together across geography, disciplines, and a very diverse spectrum of applications and funding. This challenge is especially difficult for those developing, sharing and/or using detailed chemical models of combustion to treat the oxidation of practical fuels. This is a very complex problem, and the development of …

A new parsimony analysis of 27 complete mitochondrial genomic sequences is conducted to investigate the phylogenetic relationships of plethodontid salamanders. This analysis focuses on the amount of character conflict between phylogenetic trees recovered from newly conducted parsimony searches and the Bayesian and maximum likelihood topology reported by Mueller et al. (2004, PNAS, 101, 13820-13825). Strong support for Hemidactylium as the sister taxon to all other plethodontids is recovered from parsimony analyses. Plotting area relationships on the most parsimonious phylogenetic tree suggests that eastern North America is the origin of the family Plethodontidae supporting the ''Out of Appalachia'' hypothesis. A new taxonomy that recognizes clades recovered from phylogenetic analyses is proposed.

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An Energy Recovery Linac (ERL) test facility is presently under construction at BNL [1,2]. The goal of this test facility is to demonstrate CW operation with an average beam current greater than 100mA, and with greater than 99.95% efficiency of current recovery. This facility will serve as a test bed for the novel high current CW photo-cathode [3,4], the superconducting RF cavity with HOM dampers [5,6], and the lattice [7,8] and feedback systems needed to insure the specified beam parameters. It is an important stepping stone for electron cooling in RHIC [9], and essential to meet the luminosity specifications of RHICII [10]. The expertise and experience gained in this effort might also extend forward into a 10-20GeV ERL for the electron-ion collider eRHIC [11]. We report here on the use of a technique of differential current measurement to monitor the efficiency of current recovery in the test facility, and investigate the possibility of using such a monitor in the machine protection system.

This paper presents an overview of existing and emerging technologies on electron sources that can service various Energy Recovering Linacs under consideration. Photocathodes that can deliver average currents from 1 mA to 1 A, the pros and cons associated with these cathodes are addressed. Status of emerging technologies such as secondary emitters, cesiated dispenser cathodes, field and photon assisted field emitters and super lattice photocathodes are also reviewed.

Accelerator mass spectrometry (AMS) counts individual rare, usually radio-, isotopes such as radiocarbon at high efficiency and specificity in milligram-sized samples. AMS traces very low chemical doses ({micro}g) and radiative doses (100 Bq) of isotope labeled compounds in animal models and directly in humans for pharmaceutical, nutritional, or toxicological research. Absorption, metabolism, distribution, binding, and elimination are all quantifiable with high precision after appropriate sample definition.

The objective of this program is to develop new processes for the disposal of surplus energetic materials. Disposal through open burning/open detonation (OB/OD) is considered less attractive today due to environmental, cost and safety concerns. The use of energetic materials as chemical feedstocks for higher value products can provide environmentally sound and cost-effective alternatives to OB/OD. Our recent studies on the conversion of surplus energetic materials (Explosive D, TNT) to higher value products will be described.

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We present arguments demonstrating that the Miller, Schwartz, and Tromp (MST) correlation function is the only computationally reasonable choice with regard to minimizing the extent of recrossing flux. However, using accurate numerical results, we point out that the MST flux-flux correlation function almost always exhibits non-vanishing negative parts, even for the simplest physical systems. We argue that, in order to best handle the residual recrossing flux, one must not rely on the ''no recrossing'' assumption in the development of quantum transition state theories. To provide accurate numerical examples, we derive the analytical expressions for the flux-flux correlation and spectral functions for the symmetric Eckart and rectangular potential barriers.

A general quantum-mechanical method for computing kinetic isotope effects is presented. The method is based on the quantum instanton approximation for the rate constant and on the path integral Metropolis Monte-Carlo evaluation of the Boltzmann operator matrix elements. It computes the kinetic isotope effect directly, using a thermodynamic integration with respect to the mass of the isotope, thus avoiding the more computationally expensive process of computing the individual rate constants. The method is more accurate than variational transition-state theories or the semiclassical instanton method since it does not assume a single reaction path and does not use a semiclassical approximation of the Boltzmann operator. While the general Monte-Carlo implementation makes the method accessible to systems with a large number of atoms, we present numerical results for the Eckart barrier and for the collinear and full three-dimensional isotope variants of the hydrogen exchange reaction H+H{sub 2} {yields} H{sub 2}+H. In all seven test cases, for temperatures between 250 K and 600 K, the error of the quantum instanton approximation for the kinetic isotope effects is less than {approx}10%.

The generation of cells in the human body has been difficult to study and our understanding of cell turnover is limited. Extensive testing of nuclear weapons resulted in a dramatic global increase in the levels of the isotope {sup 14}C in the atmosphere, followed by an exponential decrease after the test ban treaty in 1963. We show that the level of {sup 14}C in genomic DNA closely parallels atmospheric levels, and can be used to establish the time point when the DNA was synthesized and cells were born. We use this strategy to determine the age of cells in the cortex of the adult human brain, and show that whereas non-neuronal cells are exchanged, occipital neurons are as old as the individual, supporting the view that postnatal neurogenesis does not take place in this region. Retrospective birth dating is a generally applicable strategy that can be used to measure cell turnover in man under physiological and pathological conditions.

The primary mission of the Tritium Extraction Facility (TEF) is to extract tritium from tritium producing burnable absorber rods (TPBARs) that have been irradiated in a commercial light water reactor and to deliver tritium-containing gas to the Savannah River Site Facility 233-H. The tritium extraction segment provides the capability to deliver three (3) kilograms per year to the nation's nuclear weapons stockpile. The TEF includes processes, equipment and facilities capable of production-scale extraction of tritium while minimizing personnel radiation exposure, environmental releases, and waste generation.

Article about Arthouse's "5x7 Art Splurge and Exhibition," popular culture, a birthday party at the Broken Spoke, and Ballet Austin's Fete 2005.

Although computer simulation has played a central role in the study of nucleation and growth since the earliest molecular dynamics simulations almost 50 years ago, confusion surrounding the effect of finite size on such simulations have limited their applicability. Modeling solidification in molten tantalum on the BlueGene/L computer, we report here on the first atomistic simulation of solidification that verifies independence from finite size effects during the entire nucleation and growth process, up to the onset of coarsening. We show that finite size scaling theory explains the observed maximal grain sizes for systems up to about 8,000,000 atoms. For larger simulations, a cross-over from finite size scaling to more physical size-independent behavior is observed.

PLEIADES (Picosecond Laser Electron Interaction for the Dynamic Evaluation of Structures) produces tunable 30-140 keV x-rays with 0.3-5 ps pulse lengths and up to 10{sup 7} photons/pulse by colliding a high brightness electron beam with a high power laser. The electron beam is created by an rf photo-injector system, accelerated by a 120 MeV linac, and focused to 20 {micro}m with novel permanent magnet quadrupoles. To produce Compton back scattered x-rays, the electron bunch is overlapped with a Ti:Sapphire laser that delivers 500 mJ, 100 fs, pulses to the interaction point. K-edge radiography at 115 keV on Uranium has verified the angle correlated energy spectrum inherent in Compton scattering and high-energy tunability of the Livermore source. Current upgrades to the facility will allow laser pumping of targets synchronized to the x-ray source enabling dynamic diffraction and time-resolved studies of high Z materials. Near future plans include extending the radiation energies to >400 keV, allowing for nuclear fluorescence studies of materials.

Nature's inherent ability to cleanse itself is at the heart of Monitored Natural Attenuation (MNA). The complexity comes when one attempts to measure and calculate this inherent ability, called the Natural Attenuation Capacity (NAC), and determine if it is sufficient to cleanse the system to agreed upon criteria. An approach that is simple in concept for determining whether the NAC is sufficient for MNA to work is the concept of a mass balance. Mass balance is a robust framework upon which all decisions can be made. The inflows to and outflows from the system are balanced against the NAC of the subsurface system. For MNA to be acceptable, the NAC is balanced against the contaminant loading to the subsurface system with the resulting outflow from the system being in a range that is acceptable to the regulating and decision-making parties. When the system is such that the resulting outflow is not within an acceptable range, the idea of taking actions that are sustainable and that will bring the system within the acceptable range of outflows is evaluated. These sustainable enhancements are being developed under the Enhanced Attenuation (EA) concept.

Natural convection plays an important role in determining the thermal load from molten core accumulated in the reactor vessel lower head during a severe accident. Several numerical and experimental programs were conducted to study the heat transfer in the molten pool. Previous investigations were mostly related to the rectangular and semicircular pools. Except for COPO, UCLA, ACOPO, and BALI, previous investigations suffer from inadequate representation of high modified Rayleigh number (Ra') in the hemispherical pool that may be formed in the reactor core and lower plenum. Thus, experimental work is conducted utilizing SIGMA SP (Simulant Internal Gravitated Material Apparatus Spherical Pool) producing high Ra' turbulent natural convection in a hemispherical pool up to 5.3 x ~1011. The heating method has already been tested in SIGMA CP (Circular Pool). Six thin cable-type heaters, each with a diameter of 6 mm, are employed to simulate internal heating in the pool. They are uniformly distributed in the hemispherical pool to supply a maximum of 7.8 kW power to the pool. SIGMA SP has the inner and outer diameters of 500 mm and 520 mm, respectively. The upper flat plate and the curved wall of pool, with a 10 mm thick stainless steel plate, …

Radiocarbon dating, with special reference to the modern bomb-curve, can provide useful information to elucidate the date of death of skeletonized human remains. Interpretation can be enhanced with analysis of different types of tissues within a single skeleton because of the known variability of formation times and remodeling rates. Analysis of radiocarbon content of teeth, especially the enamel in tooth crowns provides information about the date of formation in the childhood years and in consideration of the known timing of tooth formation can be used to estimate the birth date after 1950 A.D. Radiocarbon analysis of modern cortical and trabecular bone samples from the same skeleton may allow proper placement on the pre-1963 or post-1963 sides of the bomb-curve since most trabecular bone generally undergoes more rapid remodeling than does most cortical bone. Pre-1963 bone formation would produce higher radiocarbon values for most trabecular bone than for most cortical bone. This relationship is reversed for formation after 1963. Radiocarbon analysis was conducted in this study on dental, cortical and trabecular bone samples from two adult individuals of known birth (1925 and 1926) and death dates (1995 and 1959). As expected, the dental results correspond to pre-bomb bomb-curve values reflecting conditions …

We present a new cubic ({gamma}) Li{sub 3}N phase discovered above 40({+-}5) GPa. Structure and electronic bands are examined at high pressure with synchrotron x-ray diffraction and inelastic x-ray scattering in a diamond anvil cell, and also with first-principles calculations. We observe a dramatic band-gap widening and volume collapse at the phase transition. {gamma}-Li{sub 3}N remains extremely stable and ionic to 200 GPa, with predicted metallization near 8 TPa. The high structural stability, wide band-gap and simple electronic structure of {gamma}-Li{sub 3}N are analogous to that of such lower valence closed-shell solids as NaCl, MgO and Ne, meriting its use as a low-Z internal pressure standard.

The Optimized Sparse Kernel Interface (OSKI) is a collection of low-level primitives that provide automatically tuned computational kernels on sparse matrices, for use by solver libraries and applications. These kernels include sparse matrix-vector multiply and sparse triangular solve, among others. The primary aim of this interface is to hide the complex decision-making process needed to tune the performance of a kernel implementation for a particular user's sparse matrix and machine, while also exposing the steps and potentially non-trivial costs of tuning at run-time. This paper provides an overview of OSKI, which is based on our research on automatically tuned sparse kernels for modern cache-based superscalar machines.