Researchers found more ways than ever to conduct transformative science at the Argonne Leadership Computing Facility (ALCF) in 2010. Both familiar initiatives and innovative new programs at the ALCF are now serving a growing, global user community with a wide range of computing needs. The Department of Energy's (DOE) INCITE Program remained vital in providing scientists with major allocations of leadership-class computing resources at the ALCF. For calendar year 2011, 35 projects were awarded 732 million supercomputer processor-hours for computationally intensive, large-scale research projects with the potential to significantly advance key areas in science and engineering. Argonne also continued to provide Director's Discretionary allocations - 'start up' awards - for potential future INCITE projects. And DOE's new ASCR Leadership Computing (ALCC) Program allocated resources to 10 ALCF projects, with an emphasis on high-risk, high-payoff simulations directly related to the Department's energy mission, national emergencies, or for broadening the research community capable of using leadership computing resources. While delivering more science today, we've also been laying a solid foundation for high performance computing in the future. After a successful DOE Lehman review, a contract was signed to deliver Mira, the next-generation Blue Gene/Q system, to the ALCF in 2012. The ALCF …

Wind energy development in the offshore environment can have both direct and indirect effects on wildlife, yet little is known about most species that use near-shore and offshore waters due in part to the difficulty involved in studying animals in remote, challenging environments. Traditional methods to characterize offshore wildlife populations include shipboard observations. Technological advances have provided researches with an array of technologies to gather information about fauna from afar. This report describes the use and application of radar, thermal and optical imagery, and acoustic detection technologies for monitoring birds, bats, and marine mammals in offshore environments.

The growing interest in the physics of fluidic flow in nanoscale channels, as well as the possibility for high sensitive detection of ions and single molecules is driving the development of nanofluidic channels. The enrichment of charged analytes due to electric field-controlled flow and surface charge/dipole interactions along the channel can lead to enhancement of sensitivity and limits-of-detection in sensor instruments. Nuclear material processing, waste remediation, and nuclear non-proliferation applications can greatly benefit from this capability. Atomic force microscopy (AFM) provides a low-cost alternative for the machining of disposable nanochannels. The small AFM tip diameter (< 10 nm) can provide for features at scales restricted in conventional optical and electron-beam lithography. This work presents preliminary results on the fabrication of nano/microfluidic channels on polymer films deposited on quartz substrates by AFM lithography.

This is a final technical report on the MIT clean Energy prize in the energy space.

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The constituents of the current profile have been computed for a wide range of high-performance plasmas in NSTX [M. Ono, et al., Nuclear Fusion 40, 557 (2000)]; these include cases designed to maximize the non-inductive fraction, pulse length, toroidal-β, or stored energy. In the absence of low-frequency MHD activity, good agreement is found between the reconstructed current profile and that predicted by summing the independently calculated inductive, pressure-driven, and neutral beam currents, without the need to invoke any anomalous beam ion diffusion. Exceptions occur, for instance, when there are toroidal Alfven eigenmode avalanches or coupled m/n=1/1+2/1 kink-tearing modes. In these cases, the addition of a spatially and temporally dependent fast ion diffusivity can reduce the core beam current drive, restoring agreement between the reconstructed profile and the summed constituents, as well as bringing better agreement between the simulated and measured neutron emission rate. An upper bound on the fast ion diffusivity of ~0.5-1 m2/sec is found in “MHD-free” discharges, based on the neutron emission, time rate of change of the neutron signal when a neutral beam is stepped, and reconstructed on-axis current density.

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The DOE funds helped support an International Conference, Calix 2007, whose focus was on Supramolecular Chemistry. The conference was held at the University of Maryland from August 6-9, 2007 (Figure 1). The conference website is at www.chem.umd.edu/Conferences/Calix2007. This biannual conference had previously been held in the Czech Republic (2005), Canada (2003), Netherlands (2001), Australia (1999), Italy (1997), USA (Fort Worth, 1995) Japan (1993) and Germany (1991). Calixarenes are cup-shaped compounds that are a major part of Supramolecular Chemistry, for which Cram, Lehn and Pederson were awarded a Nobel Prize 20 years ago. Calixarene chemistry has expanded greatly in the last 2 decades, as these compounds are used in synthetic and mechanistic chemistry, separations science, materials science, nanoscience and biological chemistry. The organizing committee was quite happy that Calix 2007 encompassed the broad scope and interdisciplinary nature of the field. Our goal was to bring together leading scientists interested in calixarenes, molecular recognition, nanoscience and supramolecular chemistry. We believe that new research directions and collaborations resulted from an exchange of ideas between conferees. This grant from the DOE was crucial toward achieving that goal, as the funds helped cover some of the registration and accommodations costs for the speakers.

Organic hydrogen getters are utilized to minimize hydrogen accumulation in sealed systems where such build up could produce either a safety problem from pressure build up or corrosion problem due the hydriding of metals contained in the sealed vessel. DEB (1,4 bis (phenyl ethynyl) benzene) is a hydrogen getter that is based on the palladium catalyzed hydrogenation of triple bonds to single bonds in aromatic aryl compound. DEB is a getter mixed with 25% carbon and 1% Pd and pressed into pellets with some porosity. The reaction mechanisms are complex involving solid state reactions with a heterogeneous catalyst leading to the many intermediates.

Achieving a net-zero energy building cannot be done solely by improving the efficiency of the engineering systems. It also requires consideration of the essential nature of the building including factors such as architectural form, massing, orientation and enclosure. Making informed decisions about the fundamental character of a building requires assessment of the effects of the complex interaction of these factors on the resulting performance of the building. The complexity of these interactions necessitates the use of modeling and simulation tools to dynamically analyze the effects of the relationships, yet decisions about the building fundamentals are often made in the earliest stages of design, before a `building? exists to model. To address these issues, Lawrence Berkeley National Laboratory (LBNL) has developed an early-design energy modeling tool (COMFEN) specifically to help make informed decisions about building facade fundamentals by considering the design of the building envelope, orientation and massing on building performance. COMFEN focuses on the concept of a ?space? or ?room? and uses the EnergyPlus, and RadianceTM engines and a simple, graphic user interface to allow the user to explore the effects of changing key early-design input variables on energy consumption, peak energy demand, and thermal and visual comfort. Comparative results …

When the University of Missouri Research Reactor (MURR) was designed in the 1960s the potential for fuel element burnout by a phenomenon referred to at that time as 'autocatalytic vapor binding' was of serious concern. This type of burnout was observed to occur at power levels considerably lower than those that were known to cause critical heat flux. The conversion of the MURR from HEU fuel to LEU fuel will probably require significant design changes, such as changes in coolant channel thicknesses, that could affect the thermal-hydraulic behavior of the reactor core. Therefore, the redesign of the MURR to accommodate an LEU core must address the same issues of fuel element burnout that were of concern in the 1960s. The Advanced Test Reactor (ATR) was designed at about the same time as the MURR and had similar concerns with regard to fuel element burnout. These concerns were addressed in the ATR by two groups of thermal-hydraulic tests that employed electrically heated simulated fuel channels. The Croft (1964), Reference 1, tests were performed at ANL. The Waters (1966), Reference 2, tests were performed at Hanford Laboratories in Richland Washington. Since fuel element surface temperatures rise rapidly as burnout conditions are approached, …

The computational fluid dynamics (CFD) and computational structural mechanics (CSM) focus areas at Argonne's Transportation Research and Analysis Computing Center (TRACC) initiated a project to support and compliment the experimental programs at the Turner-Fairbank Highway Research Center (TFHRC) with high performance computing based analysis capabilities in August 2010. The project was established with a new interagency agreement between the Department of Energy and the Department of Transportation to provide collaborative research, development, and benchmarking of advanced three-dimensional computational mechanics analysis methods to the aerodynamics and hydraulics laboratories at TFHRC for a period of five years, beginning in October 2010. The analysis methods employ well-benchmarked and supported commercial computational mechanics software. Computational mechanics encompasses the areas of Computational Fluid Dynamics (CFD), Computational Wind Engineering (CWE), Computational Structural Mechanics (CSM), and Computational Multiphysics Mechanics (CMM) applied in Fluid-Structure Interaction (FSI) problems. The major areas of focus of the project are wind and water effects on bridges - superstructure, deck, cables, and substructure (including soil), primarily during storms and flood events - and the risks that these loads pose to structural failure. For flood events at bridges, another major focus of the work is assessment of the risk to bridges caused by scour …

This report describes the results of a computer simulation study to predict the temperature of the glass at any location inside a DWPF canister during pouring and subsequent cooling. These simulations are an integral part of a larger research focus aimed at developing methods to predict, evaluate, and ultimately suppress nepheline formation in HLW glasses. That larger research focus is centered on holistically understanding nepheline formation in HLW glass by exploring the fundamental thermal and chemical driving forces for nepheline crystallization with respect to realistic processing conditions. Through experimental work, the goal is to integrate nepheline crystallization potential in HLW glass with processing capability to ultimately optimize waste loading and throughput while maintaining an acceptable product with respect to durability. The results of this study indicated severe temperature gradients and prolonged temperature dwell times exist throughout different locations in the canister and that the time and temperatures that HLW glass is subjected to during processing is a function of pour rate. The simulations indicate that crystallization driving forces are not uniform throughout the glass volume in a DWPF (or DWPF-like) canister and illustrate the importance of considering overall kinetics (chemical and thermal driving forces) of nepheline formation when developing methods …

From the mid-1950s until mid-2000, the Combustion Engineering, Inc. (CE) site in Windsor, Connecticut (Figure A-1) was involved in the research, development, engineering, production, and servicing of nuclear fuels, systems, and services. The site is currently undergoing decommissioning that will lead to license termination and unrestricted release in accordance with the requirements of the License Termination Rule in 10 CFR Part 20, Subpart E. Asea Brown Boveri Incorporated (ABB) has been decommissioning the CE site since 2001.

The existence of universal soft limits for gauge-theory and gravity amplitudes has been known for a long time. The properties of the soft limits have been exploited in numerous ways; in particular for relating an n-point amplitude to an (n-1)-point amplitude by removing a soft particle. Recently, a procedure called inverse soft was developed by which 'soft' particles can be systematically added to an amplitude to construct a higher-point amplitude for generic kinematics. We review this procedure and relate it to Britto-Cachazo-Feng-Witten recursion. We show that all tree-level amplitudes in gauge theory and gravity up through seven points can be constructed in this way, as well as certain classes of NMHV gauge-theory amplitudes with any number of external legs. This provides us with a systematic procedure for constructing amplitudes solely from their soft limits.

The Dark Energy Survey (DES) is a next generation optical survey aimed at understanding the expansion rate of the Universe using four complementary methods: weak gravitational lensing, galaxy cluster counts, baryon acoustic oscillations, and Type Ia supernovae. To perform the survey, the DES Collaboration is building the Dark Energy Camera (DECam), a 3 square degree, 570 Megapixel CCD camera that will be mounted at the prime focus of the Blanco 4-meter telescope at the Cerro Tololo Inter-American Observatory. CCD production has finished, yielding roughly twice the required 62 2k x 4k detectors. The construction of DECam is nearly finished. Integration and commissioning on a 'telescope simulator' of the major hardware and software components, except for the optics, recently concluded at Fermilab. Final assembly of the optical corrector has started at University College, London. Some components have already been received at CTIO. 'First-light' will be sometime in 2012. This oral presentation concentrates on the technical challenges involved in building DECam (and how we overcame them), and the present status of the instrument.

Insertion devices for Angstrom-wavelength Free Electron Laser (FEL) amplifiers driven by multi-GeV electron beams generally require distributed focusing substantially stronger than their own natural focusing fields. Over the last several years a wide variety of focusing schemes and configurations have been proposed for undulators of this class, ranging from conventional current-driven quadrupoles external to the undulator magnets to permanent magnet (PM) lattices inserted into the insertion device gap. In this paper we present design studies of a flexible high-field hybrid/PM undulator with strong superimposed planar PM focusing proposed for a 1.5 Angstrom Linac Coherent Light Source (LCLS) driven by an electron beam with a 1 mm-mr normalized emittance. Attainable field parameters, tuning modes, and potential applications of the proposed structure are discussed.

The objective of the study described herein was to develop a conceptual model of chum salmon emergence that was based on empirical water temperature of the riverbed and river in specific locations where chum salmon spawn in the Ives Island area. The conceptual model was developed using water temperature data that have been collected in the past and are currently being collected in the Ives Island area. The model will be useful to system operators who need to estimate the complete distribution of chum salmon emergence (first emergence through final emergence) in order to balance chum salmon redd protection and power system operation.

The overall goal of this program was to develop capillary electrophoresis as the tool to be used to sequence for the first time the Human Genome. Our program was part of the Human Genome Project. In this work, we were highly successful and the replaceable polymer we developed, linear polyacrylamide, was used by the DOE sequencing lab in California to sequence a significant portion of the human genome using the MegaBase multiple capillary array electrophoresis instrument. In this final report, we summarize our efforts and success. We began our work by separating by capillary electrophoresis double strand oligonucleotides using cross-linked polyacrylamide gels in fused silica capillaries. This work showed the potential of the methodology. However, preparation of such cross-linked gel capillaries was difficult with poor reproducibility, and even more important, the columns were not very stable. We improved stability by using non-cross linked linear polyacrylamide. Here, the entangled linear chains could move when osmotic pressure (e.g. sample injection) was imposed on the polymer matrix. This relaxation of the polymer dissipated the stress in the column. Our next advance was to use significantly lower concentrations of the linear polyacrylamide that the polymer could be automatically blown out after each run and …

Examples of nonlinear circuit design are given. Focus of the design process is on theory and engineering methods (as opposed to numerical analysis). Modeling is related to measurements It is seen that the phase plane is still very useful with proper models Harmonic balance/describing function offers powerful insight (via the combination of simulation with circuit and ODE theory). Measurement and simulation capabilities increased, especially harmonics measurements (since sinusoids are easy to generate)

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The symmetrized 1.6 cell S-band photocathode gun developed by the BNL/SLAC/UCLA collaboration is in operation at the Brookhaven Accelerator Test Facility (ATF). A novel emittance compensation solenoid magnet has also been designed, built and is in operation at the ATF. These two subsystems form an emittance compensated photoinjector used for beam dynamics, advanced acceleration and free electron laser experiments at the ATF. The highest acceleration field achieved on the copper cathode is 150 MV/m, and the guns normal operating field is 130 MV/m. The maximum rf pulse length is 3 {mu}s. The transverse emittance of the photoelectron beam were measured for various injection parameters. The 1 nC emittance results are presented along with electron bunch length measurements that indicated that at above the 400 pC, space charge bunch lengthening is occurring. The thermal emittance, {epsilon}{sub o}, of the copper cathode has been measured.

Report covers the background for the workshop, objectives, important research directions, necessary capabilities and overall recommendations.