The work reported here took place at the University of Minnesota from 07/01/1989 to 06/30/2006. Most of this work focused on computational materials applied to oxides during the first part of this funding period and to nanoscale materials toward the end of the funding period. This funding resulted in three monographs, 36 invited articles or book chapters, 160 articles in refereed journals and 89 invited talks. The funding helped train 13 PhD students and one masters student. The PI received two national research awards for this work. A list of these contributions are presented.

Detailed aircraft measurements were made of cloud condensation nuclei (CCN) spectra associated with extensive cloud systems off the central California coast in the July 2005 MASE project. These measurements include the wide supersaturation (S) range (2-0.01%) that is important for these polluted stratus clouds. Concentrations were usually characteristic of continental/anthropogenic air masses. The most notable feature was the consistently higher concentrations above the clouds than below. CCN measurements are so important because they provide a link between atmospheric chemistry and cloud-climate effects, which are the largest climate uncertainty. Extensive comparisons throughout the eleven flights between two CCN spectrometers operated at different but overlapping S ranges displayed the precision and accuracy of these difficult spectral determinations. There are enough channels of resolution in these instruments to provide differential spectra, which produce more rigorous and precise comparisons than traditional cumulative presentations of CCN concentrations. Differential spectra are also more revealing than cumulative spectra. Only one of the eleven flights exhibited typical maritime concentrations. Average below cloud concentrations over the two hours furthest from the coast for the 8 flights with low polluted stratus was 614?233 at 1% S, 149?60 at 0.1% S and 57?33 at 0.04% S cm-3. Immediately above cloud average …

Bioremediation of radionuclides and metals in the subsurface necessitate an understanding of the metabolic capacities and interactions of the anaerobic microorganisms that are found there, including members of the sulfate-reducing bacteria (SRB). Genetic investigation into the pathway of reductant flow to U(VI) in the SRB belonging to the genus Desulfovibrio has been the focus of this project. In Dv. desulfuricans strain G20, we confirmed the importance of the tetraheme cytochrome c3 by disruption of the gene encoding that cytochrome, cycA, and demonstrated a decrease in the ability of the mutant (I2) to reduce U(VI). We found that the cytochrome c3 was necessary for electrons from pyruvate to reach sulfate or fumarate as terminal electron acceptors. It was not needed for electrons from lactate to reach sulfate, from which we infer that a different pathway is used for the electrons from these two substrates. Cyrstal structure of the tetraheme cytochrome c3 was obtained and site-directed mutations of the protein indicated a binding site for metals at heme 4 of the structure. Kinetic studies for oxidation of reduced cytochrome c3 with U(VI) or molybdate revealed a preference for U(VI) as a substrate. Evidence for a role for sodium gradients in the energetic …

The collaboration between Mark Fink (Tulane University) and R. Morris Bullock (Brookhaven National Laboratory, currently at PNL) is an effort to understand some of the fundamental processes involved in catalytic bond activations with low coordinate palladium species. The project involves the photochemical generation of reactive low-valent palladium species as transients using nanosecond laser flash photolysis and the subsequent investigation of their reactions with chloroarenes and hydrosilanes. In the case of Si-H activation of hydrosilanes, relatively long-lived sigma complexes are implicated. These complexes may be important models for C-H activation in hydrocarbons. The information obtained from these studies will help in the understanding of fundamental processes involved in a number of important catalytic reactions in the petrochemical and environmental areas.

Our overall goal is the development of new and improved parameterizations of cloud-radiation effects and related processes, using ARM data at all three ARM sites, and the implementation and testing of these parameterizations in global models. To test recently developed prognostic parameterizations based on detailed cloud microphysics, we have compared SCM (single-column model) output with ARM observations at the SGP, NSA and TWP sites. We focus on the predicted cloud amounts and on a suite of radiative quantities strongly dependent on clouds, such as downwelling surface shortwave radiation. Our results demonstrate the superiority of parameterizations based on comprehensive treatments of cloud microphysics and cloud-radiative interactions. At the SGP and NSA sites, the SCM results simulate the ARM measurements well and are demonstrably more realistic than typical parameterizations found in conventional operational forecasting models. At the TWP site, the model performance depends strongly on details of the scheme, and the results of our diagnostic tests suggest ways to develop improved parameterizations better suited to simulating cloud-radiation interactions in the tropics generally. These advances have made it possible to take the next step and build on this progress, by incorporating our parameterization schemes in state-of-the-art three-dimensional atmospheric models, and diagnosing and evaluating …

Deliverable to NASA Stennis Space Center summarizing summarizes accomplishments made by Battelle and its subcontractors to integrate NASA's COAST visualization tool with the Noesis search tool developed under the Gulf of Mexico Regional Collaborative project.

This progress report describes work performed by the Confederated Tribes of Warm Springs (CTWSRO) portion of the Hood River Production Program Monitoring and Evaluation Project (HRPP) during the 2008 fiscal year. A total of 64,736 hatchery winter steelhead, 12,108 hatchery summer steelhead, and 68,426 hatchery spring Chinook salmon smolts were acclimated and released in the Hood River basin during the spring. The HRPP exceeded program goals for a release of and 50,000 winter steelhead but fell short of the steelhead release goals of 30,000 summer steelhead and 75,000 spring Chinook in 2008. Passive Integrated Transponders (PIT) tags were implanted in 6,652 hatchery winter steelhead, and 1,196 hatchery summer steelhead, to compare migratory attributes and survival rates of hatchery fish released into the Hood River. Water temperatures were recorded at six locations within the Hood River subbasin to monitor for compliance with Oregon Department of Environmental Quality water quality standards. A preseason spring Chinook salmon adult run forecast was generated, which predicted an abundant return adequate to meet escapement goal and brood stock needs. As a result the tribal and sport fisheries were opened. A tribal creel was conducted from May 22 to July 18 during which an estimated 172 spring …

This report describes work performed during the initial period of the project “Probabilistic Risk Based Decision Support for Oil and Gas Exploration and Production Facilities in Sensitive Ecosystems.” The specific region that is within the scope of this study is the Fayetteville Shale Play. This is an unconventional, tight formation, natural gas play that currently has approximately 1.5 million acres under lease, primarily to Southwestern Energy Incorporated and Chesapeake Energy Incorporated. The currently active play encompasses a region from approximately Fort Smith, AR east to Little Rock, AR approximately 50 miles wide (from North to South). The initial estimates for this field put it almost on par with the Barnett Shale play in Texas. It is anticipated that thousands of wells will be drilled during the next several years; this will entail installation of massive support infrastructure of roads and pipelines, as well as drilling fluid disposal pits and infrastructure to handle millions of gallons of fracturing fluids. This project focuses on gas production in Arkansas as the test bed for application of proactive risk management decision support system for natural gas exploration and production. The activities covered in this report include meetings with representative stakeholders, development of initial content …

During the 1-year duration of this project a new Shortwave Spectrometer (SWS) was designed and developed for deployment at the Southern Great Plains Central Facility to measure zenith solar spectral radiance. The SWS is comprised of two Zeiss miniature monolithic spectrometers (MMS-1 and MMS-NIR) for visible and near-infrared detection in the wavelength range between 350 and 2250 nm. Spectral resolution is 8 nm for the MMS-1 and 12 nm for the MMS-NIR. The light collector is a narrow field of view (±1.5 º) collimator at the front end of a high-grade custom-made fiber optic bundle. The data acquisition and control system is a 933 MHz Pentium based PC in a PC104 format with a USB interface between the computer and the spectrometers. Spectral sampling rate is approximately 1 Hz. A prototype SWS was deployed at SGP in November and December 2004 and it collected zenith-sky solar spectra at 1 Hz continuously over a 29 day period. Prior to deployment it was calibrated and characterized at the NASA Ames Airborne Sensor Facility (ASF) using a 30 inch Integrating Sphere. The SWS was also calibrated using a portable 12 inch integrating sphere at the Central Facility. The testing and calibration procedures were …

Abstract We conduct a detailed test of a recently developed technique, CAPloc, in recovering source parameters from a few stations against results from a large broadband network in Southern California. The method uses a library of 1D Green’s functions which are broken into segments and matched to waveform observations with adjustable timing shifts. These shifts can be established by calibration against a distribution of well-located earthquakes and assembled in tomographic images for predicting various phase-delays. Synthetics generated from 2D cross-sections through these models indicates that 1D synthetic waveforms are sufficient in modeling but simply shifted in time for most hard-rock sites. This simplification allows the source inversion for both mechanism and location to easily obtain by grid search. We test one-station mechanisms for 160 events against the array for both PAS and GSC which have data since 1960. While individual solutions work well (about 90%), joint solutions produce more reliable and defensible results. Inverting for both mechanism and location also works well except for certain complex paths across deep basins and along mountain ridges.

The 2008 Federal Columbia River Power System Biological Opinion includes Reasonable and Prudent Alternative 38-Piling and Piling Dike Removal Program. This RPA directs the Action Agencies to work with the Estuary Partnership to develop and implement a piling and pile dike removal program. The program has since evolved to include modifying pile structures to enhance their habitat value and complexity by adding large woody debris. The geographic extent of the Pile Structure Program (PSP) includes all tidally-influenced portions of the lower Columbia River below Bonneville Dam; however, it will focus on the mainstem. The overarching goal of the PSP is to enhance and restore ecosystem structure and function for the recovery of federally listed salmonids through the active management of pile structures. To attain this goal, the program team developed the following objectives: (1) Develop a plan to remove or modify pile structures that have lower value to navigation channel maintenance, and in which removal or modification will present low-risk to adjacent land use, is cost-effective, and would result in increased ecosystem function. (2) Determine program benefits for juvenile salmonids and the ecosystem through a series of intensively monitored pilot projects. (3) Incorporate best available science and pilot project results …

The following report is a summary of work conducted to evaluate the ability of existing correlative techniques and alternative methods to accurately estimate impeller speed and power requirements for mechanical mixers proposed for use in a mixing and sampling facility (MSF). The proposed facility would accept high level waste sludges from Hanford double-shell tanks and feed uniformly mixed high level waste to the Waste Treatment Plant. Numerous methods are evaluated and discussed, and resulting recommendations provided.

The data used in this report was collected by two separate projects. The Surface Environmental Surveillance Project collected routine samples in 2008 at 41 locations on and around the Hanford Site, and had them analyzed for metals in addition to the normal radiological constituents. In 2004 and 2005, soil samples were collected at 117 locations on the Hanford Reach National Monument (HRNM) in support of the radiological release of that property. In 2008, archived HRNM soil samples were analyzed for metals to supplement the radiological analyses. Concentration results for 30 individual metals were generated by the analytical methods. Selenium and antimony were not measured at detectable concentrations in most of the samples. Mercury was detected in about half of the samples analyzed. All other constituents were measured at detectable concentrations in nearly all samples analyzed. The average concentrations measured in this study were well below the soil cleanup levels for unrestricted land use established by the Model Toxics Control Act (MTCA). In addition to the average concentration being less than the benchmark, the 90th percentile concentration was also lower than the benchmark for the metals included in the MTCA. The results indicate that the measured concentrations of metals in surface …

Ultrasonic nondestructive evaluation (NDE) and inspection of cast austenitic stainless steel (CASS) components used in the nuclear power industry is neither as effective nor reliable as is needed due to detrimental effects upon the interrogating ultrasonic beam and interference from ultrasonic backscatter. The root cause is the coarse-grain microstructure inherent to this class of materials. Some ultrasonic techniques perform better for particular microstructural classifications and this has led to the hypothesis that an ultrasonic inspection can be optimized for a particular microstructural class, if a technique exists to reliably classify the microstructure for feedback to the inspection. This document summarizes scoping experiments of in-situ ultrasonic methods for classification and/or characterization of the material microstructures in CASS components from the outside surface of a pipe. The focus of this study was to evaluate ultrasonic methods and provide an interim report that documents results and technical progress. An initial set of experiments were performed to test the hypothesis that in-service characterization of cast austenitic stainless steel (CASS) is feasible, and that, if reliably performed, such data would provide real-time feedback to optimize in-service inspections in the field. With this objective in mind, measurements for the experiment were restricted to techniques that should …

Lawrence Berkeley National Laboratory's Environment, Safety, and Health (ES&H) Self-Assessment Program ensures that Integrated Safety Management (ISM) is implemented institutionally and by all divisions. The Self-Assessment Program, managed by the Office of Contract Assurance (OCA), provides for an internal evaluation of all ES&H programs and systems at LBNL. The functions of the program are to ensure that work is conducted safely, and with minimal negative impact to workers, the public, and the environment. The Self-Assessment Program is also the mechanism used to institute continuous improvements to the Laboratory's ES&H programs. The program is described in LBNL/PUB 5344, Environment, Safety, and Health Self-Assessment Program and is composed of four distinct assessments: the Division Self-Assessment, the Management of Environment, Safety, and Health (MESH) review, ES&H Technical Assurance, and the Appendix B Self-Assessment. The Division Self-Assessment uses the five core functions and seven guiding principles of ISM as the basis of evaluation. Metrics are created to measure performance in fulfilling ISM core functions and guiding principles, as well as promoting compliance with applicable regulations. The five core functions of ISM are as follows: (1) Define the Scope of Work; (2) Identify and Analyze Hazards; (3) Control the Hazards; (4) Perform the Work; and …

NERSC recently undertook a project to access and analyze Secure Shell (SSH) related data. This includes authentication data such as user names and key fingerprints, interactive session data such as keystrokes and responses, and information about noninteractive sessions such as commands executed and files transferred. Historically, this data has been inaccessible with traditional network monitoring techniques, but with a modification to the SSH daemon, this data can be passed directly to intrusion detection systems for analysis. The instrumented version of SSH is now running on all NERSC production systems. This paper describes the project, details about how SSH was instrumented, and the initial results of putting this in production.

The objective of this subtask is to develop a template for the 'Ideal' high temperature design Code, in which individual topics can be identified and worked on separately in order to provide the detail necessary to comprise a comprehensive Code. Like all ideals, this one may not be attainable as a practical matter. The purpose is to set a goal for what is believed the 'Ideal' design Code should address, recognizing that some elements are not mutually exclusive and that the same objectives can be achieved in different way. Most, if not all existing Codes may therefore be found to be lacking in some respects, but this does not mean necessarily that they are not comprehensive. While this subtask does attempt to list the elements which individually or in combination are considered essential in such a Code, the authors do not presume to recommend how these elements should be implemented or even, that they should all be implemented at all. The scope of this subtask is limited to compiling the list of elements thought to be necessary or at minimum, useful in such an 'Ideal' Code; suggestions are provided as to their relationship to one another. Except for brief descriptions, …

This report summarizes work supported by the DOE Grant DE-FG02-96ER40990 during its duration from June 1996 to May 2009. Topics studied include (1) statistical descriptions of nuclear levels and measurements of proton resonances relevant to such descriptions, including measurements toward a complete level scheme for 30P, (2) the development of methods to estimate the missing fraction of levels in a given measurement, and (3) measurements at HRIBF relevant to nuclear astrophysics.

This report summarizes information and data on the reaction behavior of uranium metal in water, in water-saturated simulated and genuine K Basin sludge, and in grout matrices. This information and data are used to establish the technical basis for metallic uranium reaction behavior for the K Basin Sludge Treatment Project (STP). The specific objective of this report is to consolidate the various sources of information into a concise document to serve as a high-level reference and road map for customers, regulators, and interested parties outside the STP (e.g., external reviewers, other DOE sites) to clearly understand the current basis for the corrosion of uranium metal in water, sludge, and grout.

A novel Taylor-Couette experiment has been developed to produce rotating shear ows for the study of hydrodynamic and magnetohydrodynamic instabilities which are believed to drive angular momentum transport in astrophysical accretion disks. High speed, concentric, corotating cylinders generate the flow where the height of the cylinders is twice the radial gap width. Ekman pumping is controlled and minimized by splitting the vertical boundaries into pairs of nested, differentially rotating rings. The end rings and cylinders comprise four independently driven rotating components which provide exibility in developing flow profiles. The working fluids of the experiment are water, a water-glycerol mix, or a liquid gallium alloy. The mechanical complexity of the apparatus and large dynamic pressures generated by high speed operation with the gallium alloy presented unique challenges. The mechanical implementation of the experiment and some representative results obtained with Laser Doppler Velocimetry in water are discussed.

The Center for Biomass Utilization (CBU®) 2006 project at the Energy & Environmental Research Center (EERC) consisted of three tasks related to applied fundamental research focused on converting biomass feedstocks to energy, liquid transportation fuels, and chemicals. Task 1, entitled Thermochemical Conversion of Biomass to Syngas and Chemical Feedstocks, involved three activities. Task 2, entitled Crop Oil Biorefinery Process Development, involved four activities. Task 3, entitled Management, Education, and Outreach, focused on overall project management and providing educational outreach related to biomass technologies through workshops and conferences.

This project investigated layout and compression techniques for large, unstructured simulation data to reduce bandwidth requirements and latency in simulation I/O and subsequent post-processing, e.g. data analysis and visualization. The main goal was to eliminate the data-transfer bottleneck - for example, from disk to memory and from central processing unit to graphics processing unit - through coherent data access and by trading underutilized compute power for effective bandwidth and storage. This was accomplished by (1) designing algorithms that both enforce and exploit compactness and locality in unstructured data, and (2) adapting offline computations to a novel stream processing framework that supports pipelining and low-latency sequential access to compressed data. This report summarizes the techniques developed and results achieved, and includes references to publications that elaborate on the technical details of these methods.

A Saltstone waste form was prepared in the Savannah River National Laboratory from a Tank 50H sample and Z-Area premix material for the first quarter of calendar year 2008 (1QCY08). After the prescribed 28 day cure, samples of the saltstone were collected, and the waste form was shown to meet the South Carolina Hazardous Waste Management Regulations (SCHWMR) R.61-79.261.24 and R.61-79.268.48(a) requirements for a nonhazardous waste form with respect to RCRA metals and underlying hazardous constituents. These analyses met all quality assurance specifications of USEPA SW-846. The Saltstone Production Facility (SPF) receives waste from Tank 50H for treatment. In the first quarter of the 2008 calendar year (1QCY08), in addition to Effluent Treatment Project (ETP) waste that is regularly added at approximately 10 kgal/month, Tank 50H received significant waste transfers from Tank 23H and from Tank 49H. The Saltstone Grout Sampling plan provides the South Carolina Department of Health and Environmental Control (SCDHEC) with the chemical and physical characterization strategy for the salt solution which is to be disposed of in the Z-Area Solid Waste Landfill (ISWLF). During operation, samples were collected from Tank 50H and grout samples prepared to determine the non-hazardous nature of the grout to meet the …

The bacterial mercury resistance (mer) operon functions in Hg biogeochemistry and bioremediation by converting reactive inorganic [Hg(II)] and organic [RHg(I)] mercurials to relatively inert monoatomic mercury vapor, Hg(0). Its genes regulate expression (MerR, MerD, MerOP), import Hg(II) (MerT, MerP, and MerC), and demethylate (MerB) and reduce (MerA) mercurials. We focus on how these components interact with each other and with the host cell to allow cells to survive and detoxify Hg compounds. Understanding how this ubiquitous detoxification system fits into the biology and ecology of its bacterial host is essential to guide interventions that support and enhance Hg remediation. At a more basic level, studies of interactions between the metal ion trafficking proteins in this pathway provide insights into general mechanisms used by proteins in pathways involved in trafficking of other metal ions in cells of all types of organisms, including pathways for essential metal ions such as Cu and Zn and other toxic metal ions such as Cd. In this project we focused on investigations of proteins from mer operons found in gamma-proteobacteria with specific objectives to use biophysical and biochemical approaches to detect and define (1) interactions between the structural components of the key detoxifying mer operon enzyme, …