This report summarizes the work done during the eleventh quarter of the project. Conductivity relaxation experiments were conducted on porous La{sub 0.5}Sr{sub 0.5}CoO{sub (3-{delta})} (LSC50) samples over a temperature range from 350 to 750 C, and over an oxygen partial pressure, p{sub O{sub 2}}, switch between 0.04 and 0.06 atm in order to determine the surface exchange coefficient, k{sub chem}. The normalized conductivity data could be fitted to a first order kinetic equation. The time constant decreased with decreasing temperature between {approx}750 and {approx}450 C, but sharply increased with decreasing temperature between 450 and 350 C. The corresponding k{sub chem} was estimated using three models: (a) A porous body model wherein it is assumed that the kinetics of surface exchange is the slowest. (b) Solution to the diffusion equation assuming the particles can be approximated as spheres. (c) Solution to the diffusion equation assuming the particles can be approximated as cylinders. The values of k{sub chem} obtained from the three models were in good agreement. In all cases, it was observed that k{sub chem} increases with decreasing temperature between 750 and 450 C, but below 450 C, it sharply decreases with further decrease in temperature.

During the six months of funding we have focused first on the completion of the research begun at the University of Washington in the previous funding cycle. Specifically, we developed a method to polymerize oriented networks of microtubules on lithographically patterned surfaces (M.S. thesis Robert Doot). The properties of active transport have been studied detail, yielding insights into the dispersion mechanisms (Nitta et al.). The assembly of multifunctional structures with a microtubule core has been investigated (Ramachandran et al.). Isaac Luria (B.S. in physics, U. of Florida 2005) worked on the directed assembly of nanoscale, non-equilibrium structures as a summer intern. He is now a graduate student in my group at the University of Florida. T. Nitta and H. Hess: “Dispersion in Active Transport by Kinesin-Powered Molecular Shuttles”, Nano Letters, 5, 1337-1342 (2005) S. Ramachandran, K.-H. Ernst, G. D. Bachand, V. Vogel, H. Hess*: “Selective Loading of Kinesin-Powered Molecular Shuttles with Protein Cargo and its Application to Biosensing”, submitted to Small (2005)

In this paper, we evaluate Titanium's usability as a high-level parallel programming language through a case study, where we implement a subset of Chombo's functionality in Titanium. Chombo is a software package applying the Adaptive Mesh Refinement methodology to numerical Partial Differential Equations at the production level. In Chombo, the library approach is used to parallel programming (C++ and Fortran, with MPI), whereas Titanium is a Java dialect designed for high-performance scientific computing. The performance of our implementation is studied and compared with that of Chombo in solving Poisson's equation based on two grid configurations from a real application. Also provided are the counts of lines of code from both sides.

Over the past few years, the emphasis in heavy ion target design has moved from the distributed radiator target to the 'hybrid' target because the hybrid target allows a larger beam focal spot than the distributed radiator ({approx} 5 mm radius rather than {approx} 2 mm radius). The larger spot relaxes some of the requirements on the driver, but introduces some new target physics issues. Most notable is the use of shine shields and shims in the hohlraum to achieve symmetry rather than achieving symmetry by beam placement. The shim is a thin layer of material placed on or near the capsule surface to block a small amount of excess radiation. While we have been developing this technique for the heavy ion hybrid target, the technique can be used in any indirect drive target. We have begun testing the concept of a shim to improve symmetry using a double-ended z-pinch hohlraum on the Sandia Z-machine. Experiments using shimmed thin wall capsules have shown that we can reverse the sign of a P{sub 2} asymmetry and significantly reduce the size of a P{sub 4} asymmetry. These initial experiments demonstrate the concept of a shim as another method for controlling early time …

The project ''Creating an Educational Consortium to Support the Recruitment and Retention of Expertise for the Nuclear Weapons Complex'' was also known as the Advanced Fuel Cycle Initiative (AFCI) University Fellowship Program. Since its inception, the Advanced Fuel Cycle Initiative program and its predecessor, the Advanced Accelerator Applications (AAA) program, have engaged university researchers and students in the sciences necessary to answer technical questions related to reducing high-level waste volumes, optimizing the economics and performance of Yucca Mountain, reducing the technical need for a second repository, reducing the long-term inventories of plutonium in spent fuel, and enabling the proliferation-resistant recovery of the energy contained in spent fuel. The Advanced Fuel Cycle University Fellowship Program is intended to support top students across the nation in a variety of disciplines that will be required to support transmutation research and technology development in the coming decades.

This assessment of fecal coliform sources and pathways in Sinclair and Dyes Inlets is part of the Project ENVironmental InVESTment (ENVVEST) being conducted by the Navy's Puget Sound Naval Shipyard and Intermediate Maintenance Facility in cooperation with the US Environmental Protection Agency, Washington State Department of Ecology, the Suquamish Tribe, Kitsap County, the City of Bremerton, the City of Port Orchard, and other local stakeholders. The goal of this study was to identify microbial pollution problems within the Sinclair-Dyes Inlet watershed and to provide a comprehensive assessment of fecal coliform (FC) contamination from all identifiable sources in the watershed. This study quantifies levels of contamination and estimated loadings from known sources within the watersheds and describes pollutant transport mechanisms found in the study area. In addition, the effectiveness of pollution prevention and mitigation measures currently in place within the Sinclair-Dyes Inlet watershed are discussed. This comprehensive study relies on historical data collected by several cooperating agencies, in addition to data collected during the study period from spring 2001 through summer 2005. This report is intended to provide the technical information needed to continue current water quality cleanup efforts and to help implement future efforts.

Distributed energy resources (DER) are quickly making their way to industry primarily as backup generation. They are effective at starting and then producing full-load power within a few seconds. The distribution system is aging and transmission system development has not kept up with the growth in load and generation. The nation's transmission system is stressed with heavy power flows over long distances, and many areas are experiencing problems in providing the power quality needed to satisfy customers. Thus, a new market for DER is beginning to emerge. DER can alleviate the burden on the distribution system by providing ancillary services while providing a cost adjustment for the DER owner. This report describes 10 types of ancillary services that distributed generation (DG) can provide to the distribution system. Of these 10 services the feasibility, control strategy, effectiveness, and cost benefits are all analyzed as in the context of a future utility-power market. In this market, services will be provided at a local level that will benefit the customer, the distribution utility, and the transmission company.

Summary: ANDY (seArch coordination aND analYsis) is a set ofPerl programs and modules for distributing large biological databasesearches, and in general any sequence of commands, across the nodes of aLinux computer cluster. ANDY is compatible with several commonly usedDistributed Resource Management (DRM) systems, and it can be easilyextended to new DRMs. A distinctive feature of ANDY is the choice ofeither dedicated or fair-use operation: ANDY is almost as efficient assingle-purpose tools that require a dedicated cluster, but it runs on ageneral-purpose cluster along with any other jobs scheduled by a DRM.Other features include communication through named pipes for performance,flexible customizable routines for error-checking and summarizingresults, and multiple fault-tolerance mechanisms. Availability: ANDY isfreely available and may be obtained fromhttp://compbio.berkeley.edu/proj/andy; this site also containssupplemental data and figures and amore detailed overview of thesoftware.

This appendix is designed to provide information specific to the Building 332C Waste Accumulation Area (B-332C WAA), a waste storage area. This appendix is not designed to be used as a sole source of information. All general information that is not specific to the B-332C WAA is included in the Contingency Plan for Waste Accumulation Areas, dated July 2004, and should be referenced. The B-332C WAA is located in the southwest quadrant of the LLNL Main Site in Building 332, Room 1330. Hazardous and mixed wastes may be stored at the B-332C WAA for 90 days or less, until transferred to the appropriate Radioactive and Hazardous Waste Management (RHWM) facility or other permitted treatment, storage or disposal facility (TSDF). Radioactive waste may also be stored at the WAA. The design storage capacity of this WAA is 2,200 gallons.

Our previous atomic force microscopy (AFM) studies successfully visualized native Bacillus atrophaeus spore coat ultrastructure and surface morphology. We have shown that the outer spore coat surface is formed by a crystalline array of {approx}11 nm thick rodlets, having a periodicity of {approx}8 nm. We present here further AFM ultrastructural investigations of air-dried and fully hydrated spore surface architecture. In the rodlet layer, planar and point defects, as well as domain boundaries, similar to those described for inorganic and macromolecular crystals, were identified. For several Bacillus species, rodlet structure assembly and architectural variation appear to be a consequence of species-specific nucleation and crystallization mechanisms that regulate the formation of the outer spore coat. We propose a unifying mechanism for nucleation and self-assembly of this crystalline layer on the outer spore coat surface.

World demand for energy is projected to more than double by 2050 and to more than triple by the end of the century. Incremental improvements in existing energy networks will not be adequate to supply this demand in a sustainable way. Finding sufficient supplies of clean energy for the future is one of society?s most daunting challenges. Sunlight provides by far the largest of all carbon-neutral energy sources. More energy from sunlight strikes the Earth in one hour (4.3 ? 1020 J) than all the energy consumed on the planet in a year (4.1 ? 1020 J). We currently exploit this solar resource through solar electricity ? a $7.5 billion industry growing at a rate of 35?40% per annum ? and solar-derived fuel from biomass, which provides the primary energy source for over a billion people. Yet, in 2001, solar electricity provided less than 0.1% of the world's electricity, and solar fuel from modern (sustainable) biomass provided less than 1.5% of the world's energy. The huge gap between our present use of solar energy and its enormous undeveloped potential defines a grand challenge in energy research. Sunlight is a compelling solution to our need for clean, abundant sources of energy …

A new facility for high-pressure diffraction and spectroscopy using diamond anvil high-pressure cells has been built at the Advanced Light Source on Beamline 12.2.2. This beamline benefits from the hard X-radiation generated by a 6 Tesla superconducting bending magnet (superbend). Useful x-ray flux is available between 5 keV and 35 keV. The radiation is transferred from the superbend to the experimental enclosure by the brightness preserving optics of the beamline. These optics are comprised of: a plane parabola collimating mirror (M1), followed by a Kohzu monochromator vessel with a Si(111) crystals (E/{Delta}E {approx} 7000) and a W/B{sub 4}C multilayer (E/{Delta}E {approx} 100), and then a toroidal focusing mirror (M2) with variable focusing distance. The experimental enclosure contains an automated beam positioning system, a set of slits, ion chambers, the sample positioning goniometry and area detectors (CCD or image-plate detector). Future developments aim at the installation of a second end station dedicated for in situ laser-heating on one hand and a dedicated high-pressure single-crystal station, applying both monochromatic as well as polychromatic techniques.

Joint US-European Community Pilot Program support for short-term exchanges of early career scientists.

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An analytical formulation of conductivity bounds by Bergman and Milton is used in a different way to obtain rigorous bounds on the real transport coefficients (electrical conductivity, thermal conductivity, and/or fluid permeability) of a fluid-saturated porous medium. These bounds do not depend explicitly on the porosity, but rather on two formation factors--one associated with the pore space and the other with the solid frame. Hashin-Shtrikman bounds for transport in random polycrystals of porous-material laminates will also be discussed.

The growth rate of a crystal in a supersaturated solution is limited by both reaction kinetics and the local concentration of solute. If the local mass transfer coefficient is too low, concentration of solute at the crystal-solution interface will drop below saturation, leading to a defect in the growing crystal. Here, mass transfer coefficients are calculated for a rotating crystal growing in a supersaturated solution of potassium diphosphate (KDP) in water. Since mass transfer is difficult to measure directly, the heat transfer coefficient of a scale model crystal in water is measured using temperature-sensitive paint (TSP). To the authors' knowledge this is the first use of TSP to measure temperatures in water. The corresponding mass transfer coefficient is then calculated using the Chilton- Colburn analogy. Measurements were made for three crystal sizes at two running conditions each. Running conditions include periodic reversals of rotation direction. Heat transfer coefficients were found to vary significantly both across the crystal faces and over the course of a rotation cycle, but not from one face to another. Mean heat transfer coefficients increased with both crystal size and rotation rate. Computed mass transfer coefficients were broadly in line with expectations from the full-scale crystal growth …

The purpose of this facility description document (FDD) is to establish requirements and associated bases that drive the design of the Canister Handling Facility (CHF), which will allow the design effort to proceed to license application. This FDD will be revised at strategic points as the design matures. This FDD identifies the requirements and describes the facility design, as it currently exists, with emphasis on attributes of the design provided to meet the requirements. This FDD is an engineering tool for design control; accordingly, the primary audience and users are design engineers. This FDD is part of an iterative design process. It leads the design process with regard to the flowdown of upper tier requirements onto the facility. Knowledge of these requirements is essential in performing the design process. The FDD follows the design with regard to the description of the facility. The description provided in this FDD reflects the current results of the design process.

Argonne National Laboratory has developed an electrometallurgical process for conditioning spent sodium-bonded metallic reactor fuel prior to disposal. A waste stream from this process consists of stainless steel cladding hulls that contain undissolved metal fission products such as Tc, Ru, Rh, Pd, and Ag; a small amount of undissolved actinides (U, Np, Pu) also remains with the hulls. These wastes will be immobilized in a waste form whose baseline composition is stainless steel alloyed with 15 wt% Zr (SS-15Zr). Scanning electron microscope (SEM) observations of simulated metal waste forms (SS-15Zr with added actinides) show eutectic intergrowths of iron solid-solution (''steel'') and Fe-Zr-Cr-Ni (''intermetallic'') materials. The actinide elements are almost entirely in the intermetallic materials, where they occur in concentrations as high as 20 at%. Neutron- and electron-diffraction studies of the simulated waste forms show materials with structures similar to those of Fe{sub 2}Zr and Fe{sub 23}Zr{sub 6}. New TEM observations of simulated waste form samples with compositions SS-15Zr-2Np, SS-15Zr-5U, SS-15Zr-11U-0.6Ru-0.3Tc-0.1Pd, and SS-15Zr-10Pu suggest that the major U- and Pu-bearing phase has a structure similar to that of the C15 (cubic, MgCu{sub 2}-type) polymorph of Fe{sub 2}Zr. Materials with this structure exhibit significant variability in chemical compositions and actinide concentrations up …

With the emergence of structural genomics, more effort is being invested into developing methods that incorporate basic crystallographic knowledge to enhance decision making procedures (e.g. Panjikar, 2005). A key area where some crystallographic knowledge is often vital for the smooth progress of structure solution is that of judging the quality or characteristics of an X-ray dataset. For instance, detecting the presence of anisotropic diffraction or twinning while a crystal is on the beam line, may allow the user to change the data collection strategy in order to obtain a better or a more complete data set. In post-collection analyses, the presence of (for instance) non-crystallographic translational symmetry might help the user (or program!) to solve the structure more easily. Of course, the identification of problems is by no means a guarantee that the problems can be overcome, but knowledge of the idiosyncrasies of a given X-ray data set permits the user or software pipeline to tailor the structure solution and refinement procedures to increase the chances of success. In this report, a number of routines are presented that assist the user in detecting specific problems or features within a given dataset. The routines are made available via the open source …

Experimental methods of measuring intermolecular interactions have had several recent developments which have improved our understanding of chemical forces. First, they allowed direct exploration of the role that different functionalities, solvents and environmental variables play in shaping the strength of intermolecular interactions. Chemical force microscopy approach, in particular, became an extremely effective tool for exploring the contributions of each of these factors. Second, CFM studies clearly debunked the naive notion that intermolecular interaction strength is determined only by the nature of the interacting groups. These studies showed that the interaction strength between two chemical species must always considered in context of the environment surrounding these species. Third, CFM studies highlighted the critical role solvent plays in shaping intermolecular interactions in condensed phases. Emerging kinetic view of the intermolecular interactions introduced a completely new paradigm for understanding these interactions. Kinetic modeling showed that the measured interactions strength depends not only on the energy landscape of the system, but also on the loading history prior to the bond break-up. This new paradigm refocused our attention to the energy landscape as a fundamental characteristic of the interaction. Moreover, dynamic force spectroscopy, derived from kinetic models, allowed direct characterization of the geometry of the …

The thermal stability of high explosive (HE) and its compatibility with other materials are of critical importance in storage and handling practices. These properties are measured at Lawrence Livermore National Laboratory using the chemical reactivity test (CRT). The CRT measures the total amount of gas evolved from a material or combination of materials after being heat treated for a designated period of time. When the test result is compared to a threshold value, the relative thermal stability of an HE or the compatibility of an HE with other materials is determined. We describe the CRT testing apparatus, the experimental procedure, and the comparison methodology and provide examples and discussion of results.

Concrete is perhaps one of the most widely used construction materials in the world. Engineers use it to build massive concrete dams, concrete waterways, highways, bridges, and even nuclear reactors. The advantages of using concrete is that it can be cast into any desired shape, it is durable, and very economical compared to structural steel. The disadvantages are its low tensile strength, low ductility, and low strength-to-weight ratio. Concrete is a composite material that consists of a coarse granular material, or aggregate, embedded in a hard matrix of material, or cement, which fills the gaps between the aggregates and binds them together. Concrete properties, however, vary widely. The properties depend on the choice of materials used and the proportions for a particular application, as well as differences in fabrication techniques. Table 1 provides a listing of typical engineering properties for structural concrete. Properties also depend on the level of concrete confinement, or hydrostatic pressure, the material is being subjected to. In general, concrete is rarely subjected to a single axial stress. The material may experience a combination of stresses all acting simultaneously. The behavior of concrete under these combined stresses are, however, extremely difficult to characterize. In addition to the …

It is well known that the ability of the permanent magnet synchronous machine (PMSM) to operate over a wide constant power speed range (CPSR) is dependent upon the machine inductance [1,2,3,4,5]. Early approaches for extending CPSR operation included adding supplementary inductance in series with the motor [1] and the use of anti-parallel thyristor pairs in series with the motor-phase windings [5]. The increased inductance method is compatible with a voltage-source inverter (VSI) controlled by pulse-width modulation (PWM) which is called the conventional phase advance (CPA) method. The thyristor method has been called the dual mode inverter control (DMIC). Neither of these techniques has met with wide acceptance since they both add cost to the drive system and have not been shown to have an attractive cost/benefit ratio. Recently a method has been developed to use fractional-slot concentrated windings to significantly increase the machine inductance [6]. This latest approach has the potential to make the PMSM compatible with CPA without supplemental external inductance. If the performance of such drive is acceptable, then the method may make the PMSM an attractive option for traction applications requiring a wide CPSR. A 30 pole, 6 kW, 6000 maximum revolutions per minute (rpm) prototype of …

New corrosion-resistant, iron-based amorphous metals have been identified from published data or developed through combinatorial synthesis, and tested to determine their relative corrosion resistance. Many of these materials can be applied as coatings with advanced thermal spray technology. Two compositions have corrosion resistance superior to wrought nickel-based Alloy C-22 (UNS N06022) in some very aggressive environments, including concentrated calcium-chloride brines at elevated temperature. One of these compositions, SAM1651, is discussed in detail to illustrate the promise of this general class of materials.