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The marine and hydrokinetic (MHK) environmental impacts knowledge management system (KMS), dubbed Tethys after the mythical Greek goddess of the seas, is being developed for the U.S. Department of Energy (DOE) Office of Energy Efficiency and Renewable Energy Wind and Hydropower Technologies Program (WHTP) by Pacific Northwest National Laboratory (PNNL). This requirements specification establishes the essential capabilities required of Tethys and clarifies for WHTP and the Tethys development team the results that must be achieved by the system.

Diffusion Monte Carlo methods can give highly accurate results for correlated systems, provided that well optimized trial wave functions with accurate nodal surfaces are employed. The Cornell team developed powerful methods for optimizing all the parameters within a multi-determinant Slater-Jastrow form of the wave function. These include the Jastrow parameters within a flexible electron-electron-nucleus form of the Jastrow function, the parameters multiplying the configuration state functions, the orbital parameters and the basis exponents. The method optimizes a linear combination of the energy and the variance of the local energy. The optimal parameters are found iteratively by diagonalizing the Hamiltonian matrix in the space spanned by the wave function and its first-order derivatives, making use of a strong zero-variance principle. It is highly robust, has become the method of choice for correlated wave function optimization and has been adopted by other QMC groups. This optimization method was used on the first-row atoms and homonuclear diatomic molecules, demonstrating that molecular well depths can be obtained with near chemical accuracy quite systematically at the diffusion Monte Carlo level for these systems. In addition the complete ground-state potential energy curve of the C{sub 2} molecule up to the dissociation limit was obtained, and, size …

Fusion promises to provide clean and safe energy, and a considerable amount of research effort is underway to turn this aspiration intoreality. This work focuses on a building block for analyzing data produced from the simulation of microturbulence in magnetic confinementfusion devices: the task of efficiently extracting regions of interest. Like many other simulations where a large amount of data are produced,the careful study of ``interesting'' parts of the data is critical to gain understanding. In this paper, we present an efficient approach forfinding these regions of interest. Our approach takes full advantage of the underlying mesh structure in magnetic coordinates to produce acompact representation of the mesh points inside the regions and an efficient connected component labeling algorithm for constructingregions from points. This approach scales linearly with the surface area of the regions of interest instead of the volume as shown with bothcomputational complexity analysis and experimental measurements. Furthermore, this new approach is 100s of times faster than a recentlypublished method based on Cartesian coordinates.

We present a determination of the distributions of gamma-ray flux - the so called LogN-LogS relation - and photon spectral index for the 352 blazars detected with a greater than approximately seven sigma detection threshold and located above {+-} 20{sup o} Galactic latitude by the Large Area Telescope of the Fermi Gamma-ray Space Telescope in its first year catalog. Because the flux detection threshold depends on the photon index, the observed raw distributions do not provide the true LogN-LogS counts or the true distribution of the photon index. We use the non-parametric methods developed by Efron and Petrosian to reconstruct the intrinsic distributions from the observed ones which account for the data truncations introduced by observational bias and includes the effects of the possible correlation among the two variables. We demonstrate the robustness of our procedures using a simulated data set of blazars and then apply these to the real data and find that for the population as a whole the intrinsic flux distribution can be represented by a broken power law of slopes -2.37 {+-} 0.13 and -1.70 {+-} 0.26, and the intrinsic photon index distribution can be represented by a Gaussian with mean 2.41 {+-} 0.13 and 1{sigma} …

These lectures concern the properties of strongly interacting matter at very high energy density. I begin with the Color Glass Condensate and the Glasma, matter that controls the earliest times in hadronic collisions. I then describe the Quark Gluon Plasma, matter produced from the thermalized remnants of the Glasma. Finally, I describe high density baryonic matter, in particular Quarkyonic matter. The discussion will be intuitive and based on simple structural aspects of QCD. There will be some discussion of experimental tests of these ideas.

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 …

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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 …

This report documents progress made on all LDRD-funded projects during fiscal year 2011. The following topics are discussed: (1) Advanced sensors and instrumentation; (2) Biological Sciences; (3) Chemistry; (4) Earth and space sciences; (5) Energy supply and use; (6) Engineering and manufacturing processes; (7) Materials science and technology; (8) Mathematics and computing sciences; (9) Nuclear science and engineering; and (10) Physics.

This presentation outlines utility concerns when evaluating PV technologies for risk.

Fermi National Accelerator Laboratory has constructed a superconducting 1.3 GHz cavity test facility at Meson Detector Building (MDB) and a superconducting 1.3 GHz cryomodule test facility located at the New Muon Lab Building (NML). The control of these 2K cryogenic systems is accomplished by using a Synoptic graphical user interface (GUI) to interact with the underlying Fermilab Accelerator Control System. The design, testing and operational experience of employing the Synoptic client-server system for graphical representation will be discussed. Details on the Synoptic deployment to the MDB and NML cryogenic sub-systems will also be discussed. The implementation of the Synoptic as the GUI for both NML and MDB has been a success. Both facilities are currently fulfilling their individual roles in SCRF testing as a result of successful availability of the cryogenic systems. The tools available for creating Synoptic pages will continue to be developed to serve the evolving needs of users.

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.

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On 27 November 2012, a bulk biochar sample was received for characterization of selected physical and chemical properties. The main purpose of the characterization was to help determine the degree to which biochar would be suitable as a soil amendment to aid in growth of plants. Towards this end, analyses to determine specific surface, pH, cation-exchange capacity, water retention, and wettability (i.e. surface tension) were conducted. A second objective was to determine how uniform these properties were in the sample. Towards this end, the sample was separated into fractions based on initial particle size and on whether the material was from the external surface or the internal portion of the particle. Based on the results, the biochar has significant liming potentials, significant cation-retention capacities, and highly variable plant-available moisture retention properties that, under the most favorable circumstances, could be helpful to plants. As a consequence, it would be quite suitable for addition to acidic soils and should enhance the fertility of those soils.

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The recently developed code FREYA (Fission Reaction Event Yield Algorithm) generates large samples of complete fission events, consisting of two receding product nuclei as well as a number of neutrons and photons, all with complete kinematic information. Thus it is possible to calculate arbitrary correlation observables whose behavior may provide unique insight into the fission process. The presentation first discusses the present status of FREYA, which has now been extended up to energies where pre-equilibrium emission becomes significant and one or more neutrons may be emitted prior to fission. Concentrating on {sup 239}Pu(n,f), we discuss the neutron multiplicity correlations, the dependence of the neutron energy spectrum on the neutron multiplicity, and the relationship between the fragment kinetic energy and the number of neutrons and their energies. We also briefly suggest novel fission observables that could be measured with modern detectors.

Objectives: To synthesize and characterize a C-Dot silica-based nanoparticle containing 'clickable' groups for the subsequent attachment of targeting moieties (e.g., peptides) and multiple contrast agents (e.g., radionuclides with high specific activity) [1,2]. These new constructs will be tested in suitable tumor models in vitro and in vivo to ensure maintenance of target-specificity and high specific activity. Methods: Cy5 dye molecules are cross-linked to a silica precursor which is reacted to form a dye-rich core particle. This core is then encapsulated in a layer of pure silica to create the core-shell C-Dot (Figure 1) [2]. A 'click' chemistry approach has been used to functionalize the silica shell with radionuclides conferring high contrast and specific activity (e.g. 64Cu and 89Zr) and peptides for tumor targeting (e.g. cRGD and octreotate) [3]. Based on the selective Diels-Alder reaction between tetrazine and norbornene, the reaction is bioorthogonal, highyielding, rapid, and water-compatible. This radiolabeling approach has already been employed successfully with both short peptides (e.g. octreotate) and antibodies (e.g. trastuzumab) as model systems for the ultimate labeling of the nanoparticles [1]. Results: PEGylated C-Dots with a Cy5 core and labeled with tetrazine have been synthesized (d = 55 nm, zeta potential = -3 mV) reliably and …

In September 2008, the U.S. Department of Energy and Martin County Economic Development Corporation entered into an agreement to further the advancement of a microtubular PEM fuel cell developed by Microcell Corporation. The overall focus of this project was on research and development related to high volume manufacturing of fuel cells and cost reduction in the fuel cell manufacturing process. The extrusion process used for the microfiber fuel cells in this project is inherently a low cost, high volume, high speed manufacturing process. In order to take advantage of the capabilities that the extrusion process provides, all subsequent manufacturing processes must be enhanced to meet the extrusion line’s speed and output. Significant research and development was completed on these subsequent processes to ensure that power output and performance were not negatively impacted by the higher speeds, design changes and process improvements developed in this project. All tasks were successfully completed resulting in cost reductions, performance improvements and process enhancements in the areas of speed and quality. These results support the Department of Energy’s goal of fuel cell commercialization.

FSA is a screening process intended to focus a facility designer’s attention on the aspects of their facility or process design that would most benefit from application of SBD principles and practices. The process is meant to identify the most relevant guidance within the SBD tools for enhancing the safeguardability of the design. In fiscal year (FY) 2012, NNSA sponsored PNNL to evaluate the practical application of FSA by applying it to the NuScale small modular nuclear power plant. This report documents the application of the FSA process, presenting conclusions regarding its efficiency and robustness. It describes the NuScale safeguards design concept and presents functional "infrastructure" guidelines that were developed using the FSA process.

Advancements in technology have opened many opportunities to improve upon the current infrastructure surrounding the nuclear fuel cycle. Embedded devices, very small sensors, and wireless technology can be applied to Security, Safety, and Nonproliferation of Spent Nuclear Fuel. Security, separate of current video monitoring systems, can be improved by integrating current wireless technology with a variety of sensors including motion detection, altimeter, accelerometer, and a tagging system. By continually monitoring these sensors, thresholds can be set to sense deviations from nominal values. Then alarms or notifications can be activated as needed. Safety can be improved in several ways. First, human exposure to ionizing radiation can be reduced by using a wireless sensor package on each spent fuel cask to monitor radiation, temperature, humidity, etc. Since the sensor data is monitored remotely operator stay-time is decreased and distance from the spent fuel increased, so the overall radiation exposure is reduced as compared to visual inspections. The second improvement is the ability to monitor continuously rather than periodically. If changes occur to the material, alarm thresholds could be set and notifications made to provide advanced notice of negative data trends. These sensor packages could also record data to be used for scientific …

This project had goals of advancing the performance capabilities of the numerical general circulation model EULAG and using it to produce a fully operational atmospheric global climate model (AGCM) that can employ either static or dynamic grid stretching for targeted phenomena. The resulting AGCM combined EULAG's advanced dynamics core with the 'physics' of the NCAR Community Atmospheric Model (CAM). Effort discussed below shows how we improved model performance and tested both EULAG and the coupled CAM-EULAG in several ways to demonstrate the grid stretching and ability to simulate very well a wide range of scales, that is, multi-scale capability. We leveraged our effort through interaction with an international EULAG community that has collectively developed new features and applications of EULAG, which we exploited for our own work summarized here. Overall, the work contributed to over 40 peer-reviewed publications and over 70 conference/workshop/seminar presentations, many of them invited.

SPEAR3 is a third-generation synchrotron light source storage ring. The beam stability requirements are {approx}10% of the beam size, which is about 1 micron in the vertical plane. Hydrostatic level system (HLS) measurements show that the height of the SPEAR3 tunnel floor varies by tens of microns daily. We present analysis of the HLS data, including accounting for common-mode tidal motion. We discuss the results of experiments done to determine the primary driving source of ground motion. We painted the accelerator tunnel walls white; we temporarily installed Mylar over the asphalt in the center of the accelerator; and we put Mylar over a section of the tunnel walls.

This report provides an update on the evaluation of sodium compatibility of advanced structural materials. The report is a deliverable (level 3) in FY11 (M3A11AN04030403), under the Work Package A-11AN040304, 'Sodium Compatibility of Advanced Structural Materials' performed by Argonne National Laboratory (ANL), as part of Advanced Structural Materials Program for the Advanced Reactor Concepts. This work package supports the advanced structural materials development by providing corrosion and tensile data from the standpoint of sodium compatibility of advanced structural alloys. The scope of work involves exposure of advanced structural alloys such as G92, mod.9Cr-1Mo (G91) ferritic-martensitic steels and HT-UPS austenitic stainless steels to a flowing sodium environment with controlled impurity concentrations. The exposed specimens are analyzed for their corrosion performance, microstructural changes, and tensile behavior. Previous reports examined the thermodynamic and kinetic factors involved in the purity of liquid sodium coolant for sodium reactor applications as well as the design, fabrication, and construction of a forced convection sodium loop for sodium compatibility studies of advanced materials. This report presents the results on corrosion performance, microstructure, and tensile properties of advanced ferritic-martensitic and austenitic alloys exposed to liquid sodium at 550 C for up to 2700 h and at 650 C for …