We present the results of ab initio calculations for elasticelectron scattering by tetrahydrofuran (THF) using the complex Kohnvariational method. We carried out fixed-nuclei calculations at theequilibrium geometry of the target molecule for incident electronenergies up to 20 eV. The calculated momentum transfer cross sectionsclearly reveal the presence of broad shape resonance behavior in the 8-10eV energy range, in agreement with recent experiments. The calculateddifferential cross sections at 20 eV, which include the effects of thelong-range electron-dipole interaction, are alsofound to be in agreementwith the most recent experimental findings.

The Cementitious Barriers Partnership (CBP) was created to develop predictive capabilities for the aging of cementitious barriers over long timeframes. The CBP is a multi-agency, multi-national consortium working under a U.S. Department of Energy (DOE) Environmental Management (EM-21) funded Cooperative Research and Development Agreement (CRADA) with the Savannah River National Laboratory (SRNL) as the lead laboratory. Members of the CBP are SRNL, Vanderbilt University, the U.S. Nuclear Regulatory Commission (USNRC), National Institute of Standards and Technology (NIST), SIMCO Technologies, Inc. (Canada), and the Energy Research Centre of the Netherlands (ECN). A first step in developing advanced tools is to determine the current state-of-the-art. A review has been undertaken to assess the treatment of cementitious barriers in Performance Assessments (PA). Representatives of US DOE sites which have PAs for their low level waste disposal facilities were contacted. These sites are the Idaho National Laboratory, Oak Ridge National Laboratory, Los Alamos National Laboratory, Nevada Test Site, and Hanford. Several of the more arid sites did not employ cementitious barriers. Of those sites which do employ cementitious barriers, a wide range of treatment of the barriers in a PA was present. Some sites used conservative, simplistic models that even though conservative still showed …

CdZnTe (or CZT) crystals can be used in a variety of detector-type applications. This large band gap material shows great promise for use as a gamma radiation spectrometer. Historically, the performance of CZT has typically been adversely affected by point defects, structural and compositional heterogeneities within the crystals, such as twinning, pipes, grain boundaries (polycrystallinity) and secondary phases (SP). The synthesis of CZT material has improved greatly with the primary performance limitation being attributed to mainly SP. In this presentation, we describe the extensive characterization of detector grade material that has been treated with post growth annealing to remove the SPs. Some of the analytical methods used in this study included polarized, cross polarized and transmission IR imaging, I-V curves measurements, synchrotron X-ray topography and electron microscopy.

The use of 3-D geophysical models to predict nuclear test ban monitoring observables (phase travel times, amplitudes, dispersion, etc.) is widely anticipated to provide improvements in the basic seismic monitoring functions of detection, association, location, discrimination and yield estimation. A number of questions arise when contemplating a transition from 1-D, 2-D and 2.5-D models to constructing and using 3-D models, among them: (1) Can a 3-D geophysical model or a collection of 3-D models provide measurably improved predictions of seismic monitoring observables over existing 1-D models, or 2-D and 2 1/2-D models currently under development? (2) Is a single model that can predict all observables achievable, or must separate models be devised for each observable? How should joint inversion of disparate observable data be performed, if required? (3) What are the options for model representation? Are multi-resolution models essential? How does representation affect the accuracy and speed of observable predictions? (4) How should model uncertainty be estimated, represented and how should it be used? Are stochastic models desirable? (5) What data types should be used to construct the models? What quality control regime should be established? (6) How will 3-D models be used in operations? Will significant improvements in the …

Multilayer coatings for the 7 EUV channels of the AIA have been developed and completed successfully on all AIA flight mirrors. Mo/Si coatings (131, 171, 193.5, 211 {angstrom}) were deposited at Lawrence Livermore National Laboratory (LLNL). Mg/SiC (304, 335 {angstrom}) and Mo/Y (94 {angstrom}) coatings were deposited at Columbia University. EUV reflectance of the 131/335 {angstrom}, 171 {angstrom}, 193.5/211 {angstrom} primary and secondary flight mirrors and the 94/304 {angstrom} secondary flight mirror was measured at beamline 6.3.2. of the Advanced Light Source (ALS) at LBNL. EUV reflectance of the 94/304 {angstrom} primary and secondary flight mirrors was measured at beamline X24C of the National Synchrotron Light Source (NSLS) at Brookhaven National Lab. Preliminary EUV reflectance measurements of the 94, 304 and 335 {angstrom} coatings were performed with a laser plasma source reflectometer located at Columbia University. Prior to multilayer coating, Atomic Force Microscopy (AFM) characterization and cleaning of all flight substrates was performed at LLNL.

Laser tweezers Raman spectroscopy (LTRS) is a novel, nondestructive, and label-free method that can be used to quantitatively measure changes in cellular activity in single living cells. Here, we demonstrate its use to monitor changes in a population of E. coli cells that occur during overexpression of a protein, the extracellular domain of myelin oligodendrocyte glycoprotein (MOG(1-120)) Raman spectra were acquired of individual E. coli cells suspended in solution and trapped by a single tightly focused laser beam. Overexpression of MOG(1-120) in transformed E. coli Rosetta-Gami (DE3)pLysS cells was induced by addition of isopropyl thiogalactoside (IPTG). Changes in the peak intensities of the Raman spectra from a population of cells were monitored and analyzed over a total duration of three hours. Data was also collected for concentrated purified MOG(1-120) protein in solution, and the spectra compared with that obtained for the MOG(1-120) expressing cells. Raman spectra of individual, living E. coli cells exhibit signatures due to DNA and protein molecular vibrations. Characteristic Raman markers associated with protein vibrations, such as 1257 cm{sup -1}, 1340 cm{sup -1}, 1453 cm{sup -1} and 1660 cm{sup -1}, are shown to increase as a function of time following the addition of IPTG. Comparison of these …

A teleoperated sampling system for the identification, collection and retrieval of samples following the detonation of an Improvised Nuclear Device (IND) or Radiological Dispersion Devise (RDD) has been developed and tested in numerous field exercises. The system has been developed as part of the Defense Threat Reduction Agency's (DTRA) National Technical Nuclear Forensic (NTNF) Program. The system is based on a Remotec ANDROS Mark V-A1 platform. Extensive modifications and additions have been incorporated into the platform to enable it to meet the mission requirements. The Defense Science Board Task Force on Unconventional Nuclear Warfare Defense, 2000 Summer Study Volume III report recommended the Department of Defense (DOD) improve nuclear forensics capabilities to achieve accurate and fast identification and attribution. One of the strongest elements of protection is deterrence through the threat of reprisal, but to accomplish this objective a more rapid and authoritative attribution system is needed. The NTNF program provides the capability for attribution. Early on in the NTNF program, it was recognized that there would be a desire to collect debris samples for analysis as soon as possible after a nuclear event. Based on nuclear test experience, it was recognized that mean radiation fields associated with even low …

None

We study a two-time-scale system of jump-diffusion stochastic differential equations. We analyze a class of multiscale integration methods for these systems, which, in the spirit of [1], consist of a hybridization between a standard solver for the slow components and short runs for the fast dynamics, which are used to estimate the effect that the fast components have on the slow ones. We obtain explicit bounds for the discrepancy between the results of the multiscale integration method and the slow components of the original system.

Scratches on optical components which are formed during fabrication, cleaning, handling and end-use, are widespread and almost always detrimental. The impact of scratches on the end-use of the optic includes increased optical scatter, reduced system performance, and reduced strength. In the case of optics used in high intensity laser applications, prevention of scratches is paramount because they are closely associated with laser damage. Evaluation of the characteristics (dimensions, location on optic, shape, and orientation) of a scratch can serve a powerful tool to identify the cause of the scratch and lead to mitigations to prevent their reoccurrence. It is likely that opticians have used such techniques for hundreds of years. In recent years, by applying techniques of fracture mechanics and tribology, several new semi-quantitative rules-of-thumb have been developed allowing one to estimate the size and shape of the scratch inducing asperity or rogue particle, the load on the particle, the depth of the fractures in the scratch, and properties of material housing the rogue particle. The following discussion reviews some these techniques, which as a whole, we refer to as 'Scratch Forsenics'.

We present gyrokinetic neoclassical simulations of tokamak plasmas with self-consistent electric field for the first time using a fully nonlinear (full-f) continuum code TEMPEST in a circular geometry. A set of gyrokinetic equations are discretized on a five dimensional computational grid in phase space. The present implementation is a Method of Lines approach where the phase-space derivatives are discretized with finite differences and implicit backwards differencing formulas are used to advance the system in time. The fully nonlinear Boltzmann model is used for electrons. The neoclassical electric field is obtained by solving gyrokinetic Poisson equation with self-consistent poloidal variation. With our 4D ({psi}, {theta}, {epsilon}, {mu}) version of the TEMPEST code we compute radial particle and heat flux, the Geodesic-Acoustic Mode (GAM), and the development of neoclassical electric field, which we compare with neoclassical theory with a Lorentz collision model. The present work provides a numerical scheme and a new capability for self-consistently studying important aspects of neoclassical transport and rotations in toroidal magnetic fusion devices.

Amorphous metal and ceramic thermal spray coatings have been developed that can be used to enhance the corrosion resistance of containers for the transportation, aging and disposal of spent nuclear fuel and high-level radioactive wastes. Iron-based amorphous metal formulations with chromium, molybdenum and tungsten have shown the corrosion resistance believed to be necessary for such applications. Rare earth additions enable very low critical cooling rates to be achieved. The boron content of these materials, and their stability at high neutron doses, enable them to serve as high efficiency neutron absorbers for criticality control. Ceramic coatings may provide even greater corrosion resistance for container applications, though the boron-containing amorphous metals are still favored for criticality control applications. These amorphous metal and ceramic materials have been produced as gas atomized powders and applied as near full density, non-porous coatings with the high-velocity oxy-fuel process. This paper summarizes the performance of these coatings as corrosion-resistant barriers, and as neutron absorbers. Relevant corrosion models are also discussed, as well as a cost model to quantify the economic benefits possible with these new materials.

An overview of the High-Performance Corrosion-Resistant Materials (HPCRM) Program, which was co-sponsored by the Defense Advanced Research Projects Agency (DARPA) Defense Sciences Office (DSO) and the United States Department of Energy (DOE) Office of Civilian and Radioactive Waste Management (OCRWM), is discussed. Programmatic investigations have included a broad range of topics: alloy design and composition; materials synthesis; thermal stability; corrosion resistance; environmental cracking; mechanical properties; damage tolerance; radiation effects; and important potential applications. Amorphous alloys identified as SAM2X5 (Fe{sub 49.7}Cr{sub 17.7}Mn{sub 1.9}Mo{sub 7.4}W{sub 1.6}B{sub 15.2}C{sub 3.8}Si{sub 2.4}) and SAM1651 (Fe{sub 48}Mo{sub 14}Cr{sub 15}Y{sub 2}C{sub 15}B{sub 6}) have been produced as melt-spun ribbons, drop-cast ingots and thermal-spray coatings. Chromium (Cr), molybdenum (Mo) and tungsten (W) additions provided corrosion resistance, while boron (B) enabled glass formation. Earlier electrochemical studies of melt-spun ribbons and ingots of these amorphous alloys demonstrated outstanding passive film stability. More recently thermal-spray coatings of these amorphous alloys have been made and subjected to long-term salt-fog and immersion tests. Good corrosion resistance has been observed during salt-fog testing. Corrosion rates were measured in situ with linear polarization, while simultaneously monitoring the open-circuit corrosion potentials. Reasonably good performance was observed. The sensitivity of these measurements to electrolyte composition and temperature …

Factors affecting sensing of small quantities of fissionable material in large sea-going cargo containers by neutron interrogation and detection of {beta}-delayed photons are explored. The propagation of variable-energy neutrons in cargos, subsequent fission of hidden nuclear material and production of the {beta}-delayed photons, and the propagation of these photons to an external detector are considered explicitly. Detailed results of Monte Carlo simulations of these stages in representative cargos are presented. Analytical models are developed both as a basis for a quantitative understanding of the interrogation process and as a tool to allow ready extrapolation of the results to cases not specifically considered here.

A typical optical fabrication process involves a series of basic process steps including: (1) shaping, (2) grinding, (3) polishing, and sometimes (4) sub-aperture tool finishing. With significant innovation and development over the years in both the front end (shaping using CNC machines) and the back end (sup-aperture tool polishing), these processes have become much more deterministic. However, the intermediate stages (full aperture grinding/polishing) in the process, which can be very time consuming, still have much reliance on the optician's insight to get to the desired surface figure. Such processes are not presently very deterministic (i.e. require multiple iterations to get desired figure). The ability to deterministically finish an optical surface using a full aperture grinding/polishing will aid optical glass fabricators to achieve desired figure in a more repeatable, less iterative, and more economical manner. Developing a scientific understanding of the material removal rate is a critical step in accomplishing this. In the present study, the surface figure and material removal rate of a fused silica workpiece is measured as a function of polishing time using Ceria based slurry on a polyurethane pad or pitch lap under a variety of kinematic conditions (motion of the workpiece and lap) and loading configurations. …

Finite plasma temperature can modify the structure of thewake field, reduce the wave-breaking field, and lead to self-trappedelectrons, which can degrade the electron bunch quality in a plasma-basedaccelerator. A relativistic warm fluid theory is used to describe theplasma temperature evolution and alterations to the structure of anonlinear periodic wave exited in a warm plasma. The trapping thresholdfor a plasma electron and the fraction of electrons trapped from athermal distribution are examined using a single-particle model.Numerical artifacts in particle-in-cell models that can mimic the physicsassociated with finite momentum spread are discussed.

Cylindrical fuel casks often have impact limiters surrounding just the ends of the cask shaft in a typical 'dumbbell' arrangement. The primary purpose of these impact limiters is to absorb energy to reduce loads on the cask structure during impacts associated with a severe accident. Impact limiters are also credited in many packages with protecting closure seals and maintaining lower peak temperatures during fire events. For this credit to be taken in safety analyses, the impact limiter attachment system must be shown to retain the impact limiter following Normal Conditions of Transport (NCT) and Hypothetical Accident Conditions (HAC) impacts. Large casks are often certified by analysis only because of the costs associated with testing. Therefore, some cask impact limiter attachment systems have not been tested in real impacts. A recent structural analysis of the T-3 Spent Fuel Containment Cask found problems with the design of the impact limiter attachment system. Assumptions in the original Safety Analysis for Packaging (SARP) concerning the loading in the attachment bolts were found to be inaccurate in certain drop orientations. This paper documents the lessons learned and their applicability to impact limiter attachment system designs.

In this lecture we presented a methodology to obtain free energies from empirical potentials and applied it to the study of the phase diagram of FeCr. Subsequently, we used Metropolis Monte Carlo to analyze homogeneous and heterogeneous precipitation of the Cr rich solid solution {alpha}{prime}. These examples are part of our work in the area of steels for nuclear applications and can be found in several publications of our group cited as References.

Mitochondria and plastids (collectively called organelles)descended from prokaryotes that adopted an intracellular, endosymbioticlifestyle within early eukaryotes. Comparisons of their remnant genomesaddress a wide variety of biological questions, especially when includingthe genomes of their prokaryotic relatives and the many genes transferredto the eukaryotic nucleus during the transitions from endosymbiont toorganelle. The pace of producing complete organellar genome sequences nowmakes it unfeasible to do broad comparisons using the primary literatureand, even if it were feasible, it is now becoming uncommon for journalsto accept detailed descriptions of genome-level features. Unfortunatelyno database is currently useful for this task, since they have littlestandardization and are riddled with error. Here I outline what iscurrently wrong and what must be done to make this data useful to thescientific community.

This paper deals with the growth and characterization of ferromagnetic cobalt doped TiO{sub 2} thin films deposited by liquid precursor metal organic chemical vapor deposition (MOCVD) using a new combination of the source materials Co(TMHD){sub 3}, tetrahydrofuran (THF), and titanium isopropoxide (TIP). An array of experiments reveals the intrinsic ferromagnetic nature of the grown films, and suggests that the magnetism is not generated by oxygen vacancies.

We report on dilepton measurements for central Pb on Au collisions at the top CERN SPS energy with the upgraded CERES experiment. The dilepton mass spectrum of 2000 data with improved mass resolution shows an enhancement over the expectation from hadron decays that is well described by a model including a strong broadening of the {rho} spectral function. The measured excess yield excludes the dropping mass scenario. We also report on the {phi} meson measured simultaneously both in the K{sup +}K{sup -} and in the dilepton decay channel for the first time in high energy heavy-ion collisions. An excellent agreement is found between the rapidity densities and the shape of the measured transverse momentum spectrum. The data rule out a possible enhancement of the {phi} yield in the leptonic over hadronic channel by a factor larger than 1.6 at 95% CL. CERES results are in agreement with NA49 results.

The point spread function (PSF) is an important measure of spatial resolution in CCDs for point-like objects, since it affects image quality and spectroscopic resolution. We present new data and theoretical developments for lateral charge diffusion in thick, fully-depleted charge-coupled devices (CCDs) developed at Lawrence Berkeley National Laboratory (LBNL). Because they can be over-depleted, the LBNL devices have no field-free region and diffusion is controlled through the application of an external bias voltage. We give results for a 3512 x 3512 format, 10.5 {micro}m pixel back-illuminated p-channel CCD developed for the SuperNova/Acceleration Probe (SNAP), a proposed satellite-based experiment designed to study dark energy. The PSF was measured at substrate bias voltages between 3 V and 115 V. At a bias voltage of 115 V, we measure an rms diffusion of 3.7 {+-} 0.2 {micro}m. Lateral charge diffusion in LBNL CCDs will meet the SNAP requirements.

One of the challenges of implementing the hydrogen economy is finding a suitable solid H{sub 2} storage material. Aluminium (alane, AlH{sub 3}) hydride has been examined as a potential hydrogen storage material because of its high weight capacity, low discharge temperature, and volumetric density. Recycling the dehydride material has however precluded AlH{sub 3} from being implemented due to the large pressures required (>10{sup 5} bar H{sub 2} at 25 C) and the thermodynamic expense of chemical synthesis. A reversible cycle to form alane electrochemically using NaAlH{sub 4} in THF been successfully demonstrated. Alane is isolated as the triethylamine (TEA) adduct and converted to unsolvated alane by heating under vacuum. To complete the cycle, the starting alanate can be regenerated by direct hydrogenation of the dehydrided alane and the alkali hydride (NaH) This novel reversible cycle opens the door for alane to fuel the hydrogen economy.

We present an extensive experimental characterization of the e{sup {+-}} phase space at the interaction point of the SLAC PEP-II B-Factory, that combines a detailed mapping of luminous-region observables using the BABAR detector, with stored-beam measurements by accelerator techniques.