We present non-equilibrium molecular dynamics (MD) simulations of wave propagation in nanocrystals. We find that the width of the traveling wave front increases with grain size, d, as d{sup 1/2}. This width also decreases with the pressure behind the front. We extrapolate our results to micro-crystals and obtain reasonable agreement with experimental data. In addition, our extrapolation agrees with models that only take into account the various velocities of propagation along different crystalline orientations, without including grain boundary effects. Our results indicate that, even at the nanoscale, the role of grain boundaries as scattering centers or as sources of plasticity does not increase significantly the width of the traveling wave.

The Colony Project is developing operating system and runtime system technology to enable efficient general purpose environments on tens of thousands of processors. To accomplish this, we are investigating memory management techniques, fault management strategies, and parallel resource management schemes. Recent results show promising findings for scalable strategies based on processor virtualization, in-memory checkpointing, and parallel aware modifications to full featured operating systems.

For many thin-film applications substrate imperfections such as particles, pits, scratches, and general roughness, can nucleate film defects which can severely detract from the coating's performance. Previously we developed a coat-and-etch process, termed the ion beam thin film planarization process, to planarize substrate particles up to {approx} 70 nm in diameter. The process relied on normal incidence etching; however, such a process induces defects nucleated by substrate pits to grow much larger. We have since developed a coat-and-etch process to planarize {approx}70 nm deep by 70 nm wide substrate pits; it relies on etching at an off-normal incidence angle, i.e., an angle of {approx} 70{sup o} from the substrate normal. However, a disadvantage of this pit smoothing process is that it induces defects nucleated by substrate particles to grow larger. Combining elements from both processes we have been able to develop a silicon-based, coat-and-etch process to successfully planarize {approx}70 nm substrate particles and pits simultaneously to at or below 1 nm in height; this value is important for applications such as extreme ultraviolet lithography (EUVL) masks. The coat-and-etch process has an added ability to significantly reduce high-spatial frequency roughness, rendering a nearly perfect substrate surface.

The results described in this report summarize the evaluations of potential benefits to a geologic repository for a variety of AFCI options that were studied during FY04. Many of the options were examined in response to a request by Burton Richter, chair of the Advanced Nuclear Transformation Technology (ANTT) Subcommittee of NERAC, to perform an initial evaluation of the potential benefit to a geologic repository from processing commercial spent nuclear fuel to separate certain chemical elements and to recycle some of these elements in thermal spectrum reactors such as light water reactors. The measure of repository benefit has been defined as the allowable increase in repository drift loading consistent with satisfying all repository thermal design limits, since loading of a geologic repository at Yucca Mountain is currently limited by temperature constraints. Such an increase in drift loading can be used to either reduce the size of a repository of given capacity, or to increase the capacity of a repository of a given size. Any changes in estimated peak dose caused by the resulting alteration in the radionuclide inventory of the repository have not been evaluated, but are the subject of a separate ongoing study.

Free-air CO{sub 2} enrichment (FACE) experiments were conducted at ample and limited levels of soil moisture on sorghum in 1998 and 1999 at the University of Arizona, Maricopa Agricultural Center, Maricopa, AZ. Numerous measurements were taken including biomass production, grain yield, soil carbon sequestration, N{sub 2}O production, stomatal conductance, leaf water potential, canopy temperature, net radiation, and reflectance at many wavelengths. Accomplishments are listed and discussed.

A spinel-based surface protection layer has been developed for alloy SOFC current collectors and bi-polar gas separators. The (Mn,Co)3O4 spinel with a nominal composition of Mn1.5Co1.5O4 demonstrates an excellent electrical conductivity and thermal expansion match to ferritic stainless steel interconnects. A slurry-coating technique provides a viable approach for fabricating protective layers of the spinel onto the steel interconnects. Thermally grown protection layers of Mn1.5Co1.5O4 have been found not only to significantly decrease the contact resistance between a LSF cathode and stainless steel interconnect, but also inhibits the sub-scale growth on the stainless steel. The combination of the inhibited sub-scale growth, good thermal expansion matching between the spinel and the stainless steel, and the closed-pore structure contribute to the excellent structural and thermomechanical stability of these spinel protection layers, which was verified by a long-term thermal-cycling test. The spinel protection layers can also act effectively to prevent outward diffusion of chromium from the interconnect alloy, preventing subsequent chromium migration into the cathode and contact materials. PNNL is currently engaged in studies intended to optimize the composition, microstructure, and fabrication procedure for the spinel protection layers.

Recent advances in sequencing technologies promise better diagnostics for many diseases as well as better understanding of evolution of microbial populations. Single Nucleotide Polymorphisms(SNPs) are established genetic markers that aid in the identification of loci affecting quantitative traits and/or disease in a wide variety of eukaryotic species. With today's technological capabilities, it is possible to re-sequence a large set of appropriate candidate genes in individuals with a given disease and then screen for causative mutations.In addition, SNPs have been used extensively in efforts to study the evolution of microbial populations, and the recent application of random shotgun sequencing to environmental samples makes possible more extensive SNP analysis of co-occurring and co-evolving microbial populations. The program is available at http://genome.lbl.gov/vista/snpvista.

This paper will discuss the Safeguards & Security (S&S) activities that resulted in the downgrade of the Savannah River Site's FB-Line (FBL) from a Category I Material Balance Area (MBA) in a Material Access Area (MAA) to a Category IV MBA in a Property Protection Area (PPA). The Safeguards activities included measurement of final product items, transferal of nuclear material to other Savannah River Site (SRS) facilities, discard of excess nuclear material items, and final measurements of holdup material. The Security activities included relocation and destruction of classified documents and repositories, decertification of a classified computer, access control changes, updates to planning documents, deactivation and removal of security systems, Human Reliability Program (HRP) removals, and information security training for personnel that will remain in the FBL PPA.

Caterpillar's Technology & Solutions Division conceived, designed, built and tested an electric turbocompound system for an on-highway heavy-duty truck engine. The heart of the system is a unique turbochargerr with an electric motor/generator mounted on the shaft between turbine and compressor wheels. When the power produced by the turbocharger turbine exceeds the power of the compressor, the excess power is converted to electrical power by the generator on the turbo shaft; that power is then used to help turn the crankshaft via an electric motor mounted in the engine flywheel housing. The net result is an improvement in engine fuel economy. The electric turbocompound system provides added control flexibility because it is capable of varying the amount of power extracted from the exhaust gases, thus allowing for control of engine boost. The system configuration and design, turbocharger features, control system development, and test results are presented.

A design for a high gradient, low inductance pulsed quadrupole magnet is presented. The magnet is a circular current dominated design with a circular iron return yoke. Conductor angles are determined by a method of direct multipole elimination which theoretically eliminates the first four higher order multipole field components. Coils are fabricated from solid round film-insulated conductor, wound as a single layer ''non-spiral bedstead'' coil having a diagonal leadout entirely within one upturned end. The coils are wound and stretched straight in a special winder, then bent in simple fixtures to form the upturned ends.