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The California Academy of Sciences (CAS) Morrison Planetarium is producing a 'full-dome' planetarium show on earthquakes and asked LLNL to produce content for the show. Specifically the show features numerical ground motion simulations of the M 7.9 1906 San Francisco and a possible future M 7.05 Hayward fault scenario earthquake. The show also features concepts of plate tectonics and mantle convection using images from LLNL's G3D global seismic tomography. This document describes the data that was provided to the CAS in support of production of the 'Earthquake' show. The CAS is located in Golden Gate Park, San Francisco and hosts over 1.6 million visitors. The Morrison Planetarium, within the CAS, is the largest all digital planetarium in the world. It features a 75-foot diameter spherical section projection screen tilted at a 30-degree angle. Six projectors cover the entire field of view and give a three-dimensional immersive experience. CAS shows strive to use scientifically accurate digital data in their productions. The show, entitled simply 'Earthquake', will debut on 26 May 2012. They are working on graphics and animations based on the same data sets for display on LLNL powerwalls and flat-screens as well as for public release.

The Y-12 National Security Complex has recently fabricated and characterized a new series of metallic uranium standards for use in the Nuclear Detection and Sensor Testing Center (NDSTC). Ten uranium metal disks with enrichments varying from 0.2 to 93.2% {sup 235}U were designed to provide researchers access to a wide variety of measurement scenarios in a single testing venue. Special care was taken in the selection of the enrichments in order to closely bracket the definitions of reactor fuel at 4% {sup 235}U and that of highly enriched uranium (HEU) at 20% {sup 235}U. Each standard is well characterized using analytical chemistry as well as a series of gamma-ray spectrometry measurements. Gamma-ray spectra of these standards are being archived in a reference library for use by customers of the NDSTC. A software database tool has been created that allows for easier access and comparison of various spectra. Information provided through the database includes: raw count data (including background spectra), regions of interest (ROIs), and full width half maximum calculations. Input is being sought from the user community on future needs including enhancements to the spectral database and additional Uranium standards, shielding configurations and detector types. A related presentation are planned …

One application of metal media filters is in various nuclear air cleaning processes including applications for protecting workers, the public and the environment from hazardous and radioactive particles. To support this application the development of the ASME AG-1 FI Standard on Metal Media has been under way for more than ten years. Development of the proposed section has required resolving several difficult issues associated with operating conditions (media velocity, pressure drop, etc.), qualification testing, and quality acceptance testing. Performance characteristics of metal media are dramatically different than the glass fiber media with respect to parameters like differential pressures, operating temperatures, media strength, etc. These differences make existing data for a glass fiber media inadequate for qualifying a metal media filter for AG-1. In the past much work has been conducted on metal media filters at facilities such as Lawrence Livermore National Laboratory (LLNL) and Savannah River National Laboratory (SRNL) to qualify the media as High Efficiency Particulate Air (HEPA) Filters. Particle retention testing has been conducted at Oak Ridge Filter Test Facility and at Air Techniques International (ATI) to prove that the metal media meets or exceeds the 99.97% particle retention required for a HEPA Filter. Even with his testing, …

In 2010, the Department of Energy (DOE) Chief of Nuclear Safety and Office of Health, Safety and Security (HSS), with the support of industry experts in atmospheric sciences and accident dose consequences analysis, performed detailed analyses of the basis for the dry deposition velocity (DV) values used in the MACCS2 computer code. As a result of these analyses, DOE concluded that the historically used default DV values of 1 centimeter/second (cm/s) for unfiltered/unmitigated releases and 0.1 cm/s for filtered/mitigated releases may not be reasonably conservative for all DOE sites and accident scenarios. HSS recently issued Safety Bulletin 2011-02, Accident Analysis Parameter Update, recommending the use of the newly developed default DV, 0.1 cm/s for an unmitigated/unfiltered release. Alternatively site specific DV values can be developed using GENII version 2 (GENII v2) computer code. Key input parameters for calculating DV values include surface roughness, maximum wind speed for calm, particle size, particle density and meteorological data (wind speed and stability class). This paper will include reasonably conservative inputs, and a truncated parametric study. In lieu of the highly-conservative recommended DV value (0.1cm/s) for unmitigated/unfiltered release, GENII v2 has been used to justify estimated 95th percentile DV values. Also presented here are …

Data were collected with the AGS internal (E880) polarimeter at G{gamma} = 12.5 during the FY04 polarized proton run. Measurements were made with forward scintillation counters in coincidence with recoil counter telescopes, permitting an absolute calibration of the polarimeter for both nylon and carbon targets. The results are summarized and they will also be useful for an absolute calibration of the AGS CNI polarimeter at G{gamma} = 12.5.

Significant advances were made on all objectives of the research program. We have developed fast multiresolution methods for performing electronic structure calculations with emphasis on constructing efficient representations of functions and operators. We extended our approach to problems of scattering in solids, i.e. constructing fast algorithms for computing above the Fermi energy level. Part of the work was done in collaboration with Robert Harrison and George Fann at ORNL. Specific results (in part supported by this grant) are listed here and are described in greater detail. (1) We have implemented a fast algorithm to apply the Green's function for the free space (oscillatory) Helmholtz kernel. The algorithm maintains its speed and accuracy when the kernel is applied to functions with singularities. (2) We have developed a fast algorithm for applying periodic and quasi-periodic, oscillatory Green's functions and those with boundary conditions on simple domains. Importantly, the algorithm maintains its speed and accuracy when applied to functions with singularities. (3) We have developed a fast algorithm for obtaining and applying multiresolution representations of periodic and quasi-periodic Green's functions and Green's functions with boundary conditions on simple domains. (4) We have implemented modifications to improve the speed of adaptive multiresolution algorithms for …

SECAD is a project that developed a GUI for running integrated fusion simulations as implemented in FACETS and SWIM SciDAC projects. Using the GUI users can submit simulations locally and remotely and visualize the simulation results.

The Lepton Quark Studies (LQS) group is engaged in searching for dark matter using the Dark Matter Time Projection Chamber (DMTPC) at the Waste Isolation Pilot Plant (WIPP) (Carlsbad, NM). DMTPC is a direction-sensitive dark matter detector designed to measure the recoil direction and energy deposited by fluorine nuclei recoiling from the interaction with incident WIMPs. In the past year, the major areas of progress have been: #15; to publish the #12;first dark matter search results from a surface run of the DMTPC prototype detector, #15; to build and install the 10L prototype in the underground laboratory at WIPP which will house the 1 m{sup 3} detector, and #15; to demonstrate charge and PMT readout of the TPC using prototype detectors, which allow triggering and #1;{Delta}z measurement to be used in the 1 m{sup 3} detector under development.

Significant updates were made to the multifilter rotating shadowband radiometer (MFRSR) cloud optical depth (MFRSRCLDOD) value-added product (VAP) in 2011. The original intent of the update was to add quality control (QC) flags and to update the VAP to use the improved retrievals of liquid water path (LWP) from the Microwave Radiometer Retrievals (MWRRET) VAP rather than the statistical retrievals of LWP from the Microwave Radiometer Line of Sight (MWRLOS) datastream. Although this was originally intended to be a straightforward update of the code, it became more complicated due to the following factors: (1) a new developer and translator team were working with the code; (2) numerous small changes had to be made to the code to consistently implement the QC flags; and (3) ARM standards have changed over the years since the code was originally developed.

The main objective of the Bexar County Parking Garage Photovoltaic (PV) Panel project is to install a PV System that will promote the use of renewable energy. This project will also help sustain Bexar County ongoing greenhouse gas emissions reduction and energy efficiency goals. The scope of this project includes the installation of a 100-kW system on the top level of a new 236,285 square feet parking garage. The PV system consists of 420 solar panels that covers 7,200 square feet and is tied into the electric-grid. It provides electricity to the office area located within the garage. The estimated annual electricity production of the PV system is 147,000 kWh per year.

The United States Department of Energy Office of Environmental Management (DOE-EM) has established a Performance Assessment Community of Practice (PA CoP) to foster the sharing of information among performance assessment (PA) and risk assessment practitioners, regulators and oversight personnel. The general intent is to contribute to continuous improvement in the consistency, technical adequacy and quality of implementation of PAs and risk assessments around the DOE Complex. The PA CoP activities have involved commercial disposal facilities and international participants to provide a global perspective. The PA CoP has also sponsored annual technical exchanges as a means to foster improved communication and to share lessons learned from on-going modelling activities. The PA CoP encourages activities to provide programmatic and technical assistance in the form of sharing experience and lessons learned with practitioners during the development of PAs and risk assessments. This assistance complements DOE-EM reviews through the Low-Level Waste Disposal Facility Federal Review Group (LFRG) that are conducted after modelling efforts are completed. Such up-front assistance is providing additional value in terms of improving consistency and sharing of information. There has been a substantial increase in the amount of assistance being provided. The assistance has been well received by practitioners and regulators …

This report describes the work conducted under the CRADA Nr. PNNL/304 between Battelle PNNL and Autodesk whose objective is to validate the new process models developed under the previous CRADA for large injection-molded LFT composite structures. To this end, the ARD-RSC and fiber length attrition models implemented in the 2013 research version of Moldflow was used to simulate the injection molding of 600-mm x 600-mm x 3-mm plaques from 40% glass/polypropylene (Dow Chemical DLGF9411.00) and 40% glass/polyamide 6,6 (DuPont Zytel 75LG40HSL BK031) materials. The injection molding was performed by Injection Technologies, Inc. at Windsor, Ontario (under a subcontract by Oak Ridge National Laboratory, ORNL) using the mold offered by the Automotive Composite Consortium (ACC). Two fill speeds under the same back pressure were used to produce plaques under slow-fill and fast-fill conditions. Also, two gating options were used to achieve the following desired flow patterns: flows in edge-gated plaques and in center-gated plaques. After molding, ORNL performed measurements of fiber orientation and length distributions for process model validations. The structure of this report is as follows. After the Introduction (Section 1), Section 2 provides a summary of the ARD-RSC and fiber length attrition models. A summary of model implementations in …

Global, heat flux-driven ITG gyrokinetic simulations which manifest the formation of macroscopic, mean toroidal flow profiles with peak thermal Mach number 0.05, are reported. Both a particle-in-cell (XGC1p) and a semi-Lagrangian (GYSELA) approach are utilized without a priori assumptions of scale-separation between turbulence and mean fields. Flux-driven ITG simulations with different edge flow boundary conditions show in both approaches the development of net unidirectional intrinsic rotation in the co-current direction. Intrinsic torque is shown to scale approximately linearly with the inverse scale length of the ion temperature gradient. External momentum input is shown to effectively cancel the intrinsic rotation profile, thus confirming the existence of a local residual stress and intrinsic torque. Fluctuation intensity, intrinsic torque and mean flow are demonstrated to develop inwards from the boundary. The measured correlations between residual stress and two fluctuation spectrum symmetry breakers, namely E x B shear and intensity gradient, are similar. Avalanches of (positive) heat flux, which propagate either outwards or inwards, are correlated with avalanches of (negative) parallel momentum flux, so that outward transport of heat and inward transport of parallel momentum are correlated and mediated by avalanches. The probability distribution functions of the outward heat flux and the inward momentum …

Optimality principles have been widely used in many areas. Based on an optimality principle that any flow field will tend toward a minimum in the energy dissipation rate, this work shows that there exists a unified form of conductivity relationship for three different flow systems: landscapes, unsaturated soils and plant leaves. The conductivity, the ratio of water flux to energy gradient, is a power function of water flux although the power value is system dependent. This relationship indicates that to minimize energy dissipation rate for a whole system, water flow has a small resistance (or a large conductivity) at a location of large water flux. Empirical evidence supports validity of the relationship for landscape and unsaturated soils (under gravity dominated conditions). Numerical simulation results also show that the relationship can capture the key features of hydraulic structure for a plant leaf, although more studies are needed to further confirm its validity. Especially, it is of interest that according to this relationship, hydraulic conductivity for gravity-dominated unsaturated flow, unlike that defined in the classic theories, depends on not only capillary pressure (or saturation), but also the water flux. Use of the optimality principle allows for determining useful results that are applicable …

This proposal describes the proposed renewal of a theoretical research program on the structure and reactivity of molecules adsorbed on transition metal surfaces. A new direction of the work extends investigations to interfaces between solid surfaces, adsorbates and aqueous solutions and includes fundamental work on photoinduced electron transport into chemisorbed species and into solution. The goal is to discover practical ways to reduce water to hydrogen and oxygen using radiation comparable to that available in the solar spectrum. The work relates to two broad subject areas: photocatalytic processes and production of hydrogen from water. The objective is to obtain high quality solutions of the electronic structure of adsorbate-metal-surface-solution systems so as to allow activation barriers to be calculated and reaction mechanisms to be determined. An ab initio embedding formalism provides a route to the required accuracy. New theoretical methods developed during the previous grant period will be implemented in order to solve the large systems involved in this work. Included is the formulation of a correlation operator that is used to treat localized electron distributions such as ionic or regionally localized distributions. The correlation operator which is expressed as a two-particle projector is used in conjunction with configuration interaction.

In order to comply with the Waste Acceptance Specifications in Sludge Batch 6 (Macrobatch 7), Savannah River National Laboratory personnel performed characterization analyses on the Defense Waste Processing Facility (DWPF) pour stream glass sample collected while filling canister S03472. This report summarizes results of the characterization, which indicate that the DWPF produced glass that is significantly more durable than the Environmental Assessment glass. Results and further details are documented in 'Analysis of DWPF Sludge Batch 6 (Macrobatch 7) Pour Stream Glass Samples,' SRNL-STI-2011-00555.

We report variations in the currents of CdZnTe semiconductor crystals during exposure to a series of light emitting diodes of various wavelengths ranging from 470 to 950 nm. The changes in the steady-state current of one CdZnTe crystal with and without illumination along with the time dependence of the illumination effects are discussed. Analysis of the de-trapping and transient bulk currents during and after optical excitation yield insight into the behaviour of charge traps within the crystal. Similar behaviour is observed for illumination of a second CdZnTe crystal suggesting that the overall illumination effects are not crystal dependent.

The intention of this study is to demonstrate and evaluate the scientific and economic feasibility of using special solvents to improve the thermal stability of Pt-catalyst in the Shilov system, such that a high reaction temperature could be achieved. The higher conversion rate (near 100%) of methyl chloride from partial oxidation of methane under the high temperature ({approx} 200 C) without significant Pt0 precipitation has been achieved. High concentration of the Cl- ion has been identified as the key for the stabilization of the Pt-catalysts. H/D exchange measurements indicated that the over oxidation will occur at the elevated temperature, developments of the effective product separation processes will be necessary in order to rationalize the industry-visible CH4 to CH3Cl conversion.

This report summarizes the results of a series of feasibility testing studies for in-ground and in-concrete imaging/detection technologies including radar imaging and acoustic time-of flight method. The objectives of this project are: (1) Design Information Verification (DIV) Tools for In-Concrete Inspections - To determine the feasibility of using holographic radar imaging (HRI), radar imaging, and acoustic time-of-flight (TOF) non-destructive evaluation technologies to detect, locate and identify pipes and voids embedded in standard-density and high-density concrete walls that typify those the IAEA will need to verify during field inspections; (2) DIV Tools for In-Ground Inspections - To determine the feasibility of using HRI and radar imaging non-destructive evaluation technologies to detect, locate, and identify objects buried at various depths made of various materials (metal, plastic, wood, and concrete) and representing geometries that typify those the IAEA will need to verify during field inspections; and (3) Based on the results of the studies, recommend the next steps needed to realize fieldable tools for in-concrete and in-ground inspections (including detection of deeply buried polyvinyl chloride [PVC] pipes) that employ the technologies shown to be feasible.

As part of the effort to increase the number of ions per bunch in RHIC, a new scheme for RF capture of EBIS ions in Booster at injection has been developed. The scheme was proposed by M. Blaskiewicz and J.M. Brennan. It employs a barrier bucket to hold a half turn of beam in place during capture into two adjacent harmonic 4 buckets. After acceleration, this allows for 8 transfers of 2 bunches from Booster into 16 buckets on the AGS injection porch. During the Fall of 2011 the necessary hardware was developed and implemented by the RF and Controls groups. The scheme is presently being commissioned by K.L. Zeno with Au32+ ions from EBIS. In this note we carry out simulations of the RF capture. These are meant to serve as benchmarks for what can be achieved in practice. They also allow for an estimate of the longitudinal emittance of the bunches on the AGS injection porch.

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A detailed study was done of the neomycin-B RNA aptamer for determining its selectivity and binding ability to both neomycin– and kanamycin-class aminoglycosides. A novel method to increase drug concentrations in cells for more efficiently killing is described. To test the method, a bacterial model system was adopted and several small RNA molecules interacting with aminoglycosides were cloned downstream of T7 RNA polymerase promoter in an expression vector. Then, the growth analysis of E. coli expressing aptamers was observed for 12-hour period. Our analysis indicated that aptamers helped to increase the intracellular concentration of aminoglycosides thereby increasing their efficacy.