The importance of Arctic mixed-phase clouds on radiation and the Arctic climate is well known. However, the development of mixed-phase cloud parameterization for use in large scale models is limited by lack of both related observations and numerical studies using multidimensional models with advanced microphysics that provide the basis for understanding the relative importance of different microphysical processes that take place in mixed-phase clouds. To improve the representation of mixed-phase cloud processes in the GISS GCM we use the GISS single-column model coupled to a bin resolved microphysics (BRM) scheme that was specially designed to simulate mixed-phase clouds and aerosol-cloud interactions. Using this model with the microphysical measurements obtained from the DOE ARM Mixed-Phase Arctic Cloud Experiment (MPACE) campaign in October 2004 at the North Slope of Alaska, we investigate the effect of ice initiation processes and Bergeron-Findeisen process (BFP) on glaciation time and longevity of single-layer stratiform mixed-phase clouds. We focus on observations taken during 9th-10th October, which indicated the presence of a single-layer mixed-phase clouds. We performed several sets of 12-h simulations to examine model sensitivity to different ice initiation mechanisms and evaluate model output (hydrometeors concentrations, contents, effective radii, precipitation fluxes, and radar reflectivity) against measurements from …

Final Report on Award No. DE-FG0201ER63171 Principal Investigator: LeRoy B. Walters February 18, 2008 This project successfully completed its goal of surveying and reporting on the DNA patenting and licensing policies at 30 major U.S. academic institutions. The report of survey results was published in the January 2006 issue of Nature Biotechnology under the title “The Licensing of DNA Patents by US Academic Institutions: An Empirical Survey.” Lori Pressman was the lead author on this feature article. A PDF reprint of the article will be submitted to our Program Officer under separate cover. The project team has continued to update the DNA Patent Database on a weekly basis since the conclusion of the project. The database can be accessed at dnapatents.georgetown.edu. This database provides a valuable research tool for academic researchers, policymakers, and citizens. A report entitled Reaping the Benefits of Genomic and Proteomic Research: Intellectual Property Rights, Innovation, and Public Health was published in 2006 by the Committee on Intellectual Property Rights in Genomic and Protein Research and Innovation, Board on Science, Technology, and Economic Policy at the National Academies. The report was edited by Stephen A. Merrill and Anne-Marie Mazza. This report employed and then adapted the methodology …

ORNL assisted Seagate Recording Heads Operations in the development of CIPS pin Valves for application as read sensors in hard disk drives. Personnel at ORNL were W. H. Butler and Xiaoguang Zhang. Dr. Olle Heinonen from Seagate RHO also participated. ORNL provided codes and materials parameters that were used by Seagate to model CIP GMR in their heads. The objectives were to: (1) develop a linearized Boltzmann transport code for describing CIP GMR based on realistic models of the band structure and interfaces in materials in CIP spin valves in disk drive heads; (2) calculate the materials parameters needed as inputs to the Boltzmann code; and (3) transfer the technology to Seagate Recording Heads.

Polyurethane foam has been employed in impact limiters for large radioactive materials packagings since the early 1980's. Its consistent crush response, controllable structural properties and excellent thermal insulating characteristics have made it attractive as replacement for the widely used cane fiberboard for smaller, drum size packagings. Accordingly, polyurethane foam was chosen for the overpack material for the 9977 and 9978 packagings. The study reported here was undertaken to provide data to support the analyses performed as part of the development of the 9977 and 9978, and compared property values reported in the literature with published property values and test results for foam specimens taken from a prototype 9977 packaging. The study confirmed that, polyurethane foam behaves in a predictable and consistent manner and fully satisfies the functional requirements for impact absorption and thermal insulation.

The United Technologies Research Center (UTRC), in collaboration with major partners Albemarle Corporation (Albemarle) and the Savannah River National Laboratory (SRNL), conducted research to discover new hydride materials for the storage of hydrogen having on-board reversibility and a target gravimetric capacity of ≥ 7.5 weight percent (wt %). When integrated into a system with a reasonable efficiency of 60% (mass of hydride / total mass), this target material would produce a system gravimetric capacity of ≥ 4.5 wt %, consistent with the DOE 2007 target. The approach established for the project combined first principles modeling (FPM - UTRC) with multiple synthesis methods: Solid State Processing (SSP - UTRC), Solution Based Processing (SBP - Albemarle) and Molten State Processing (MSP - SRNL). In the search for novel compounds, each of these methods has advantages and disadvantages; by combining them, the potential for success was increased. During the project, UTRC refined its FPM framework which includes ground state (0 Kelvin) structural determinations, elevated temperature thermodynamic predictions and thermodynamic / phase diagram calculations. This modeling was used both to precede synthesis in a virtual search for new compounds and after initial synthesis to examine reaction details and options for modifications including co-reactant additions. …

Silver nanocrystals are ideal building blocks for plasmonicmaterials that exhibit a wide range of unique and potentially usefuloptical phenomena. Individual nanocrystals display distinct opticalscattering spectra and can be assembled into hierarchical structures thatcouple strongly to external electromagnetic fields. This coupling, whichis mediated by surface plasmons, depends on their shape and arrangement.Here we demonstrate the bottom-up assembly of polyhedral silvernanocrystals into macroscopic two-dimensional superlattices using theLangmuir-Blodgett technique. Our ability to control interparticlespacing, density, and packing symmetry allows for tunability of theoptical response over the entire visible range. This assembly strategyoffers a new, practical approach to making novel plasmonic materials forapplication in spectroscopic sensors, sub-wavelength optics, andintegrated devices that utilize field enhancement effects.

The objective of this project was to develop a method, at the pilot scale, for the economical production of hydrogen from peanut shells. During the project period a pilot scale process, based on the bench scale process developed at NREL (National Renewable Energy Lab), was developed and successfully operated to produce hydrogen from peanut shells. The technoeconomic analysis of the process suggests that the production of hydrogen via this method is cost-competitive with conventional means of hydrogen production.

Previous work showed that, in the presence of DNA-PK, Artemis slowly trims 3'-phosphoglycolate-terminated blunt ends. To examine the trimming reaction in more detail, long internally labeled DNA substrates were treated with Artemis. In the absence of DNA-PK, Artemis catalyzed extensive 5' {yields} 3' exonucleolytic resection of double-stranded DNA. This resection required a 5'-phosphate but did not require ATP, and was accompanied by endonucleolytic cleavage of the resulting 3' overhang. In the presence of DNA-PK, Artemis-mediated trimming was more limited, was ATP-dependent, and did not require a 5'-phosphate. For a blunt end with either a 3'-phosphoglycolate or 3'-hydroxyl terminus, endonucleolytic trimming of 2-4 nucleotides from the 3'-terminal strand was accompanied by trimming of 6 nucleotides from the 5'-terminal strand. The results suggest that autophosphorylated DNA-PK suppresses the exonuclease activity of Artemis toward blunt-ended DNA, and promotes slow and limited endonucleolytic trimming of the 5'-terminal strand, resulting in short 3' overhangs that are trimmed endonucleolytically. Thus, Artemis and DNA-PK can convert terminally blocked DNA ends of diverse geometry and chemical structure to a form suitable for polymerase mediated patching and ligation, with minimal loss of terminal sequence. Such processing could account for the very small deletions often found at DNA double-strand break …

We present first-principles total-energy density-functional theory electronic structure calculations for the neutral and charge states of an oxygen vacancy in KH{sub 2}PO{sub 4} (KDP). Even though the overall DOS profiles for the defective KDP are quite similar to those of the perfect KDP, the oxygen vacancy in the neutral and +1 charge states induces defect states in the band gap. For the neutral oxygen vacancy, the gap states are occupied by two electrons. The difference between the integral of the total density of states (DOS) and the sum of the DOS projected on the atoms of 0.98 |e|, indicates that one of the two electrons resulting from the removal of the oxygen atom is trapped in the vacancy, while the other tends to delocalize in the neighboring atoms. For the +1 charge oxygen vacancy, the addition of the hole reduces the occupation of the filled gap-states in the neutral case from two to one electron and produces new empty states in the gap. The new empty gap states are very close to the highest occupied states, leading to a dramatic decrease of the band gap. The difference between the integral of the total DOS and the sum of the DOS …

One crucial challenge for subwavelength optics has been thedevelopment of a tunable source of coherent laser radiation for use inthe physical, information, and biological sciences that is stable at roomtemperature and physiological conditions. Current advanced near-fieldimaging techniques using fiber-optic scattering probes1,2 have alreadyachieved spatial resolution down to the 20-nm range. Recently reportedfar-field approaches for optical microscopy, including stimulatedemission depletion (STED)3, structured illumination4, and photoactivatedlocalization microscopy (PALM)5, have also enabled impressive,theoretically-unlimited spatial resolution of fluorescent biomolecularcomplexes. Previous work with laser tweezers6-8 has suggested the promiseof using optical traps to create novel spatial probes and sensors.Inorganic nanowires have diameters substantially below the wavelength ofvisible light and have unique electronic and optical properties9,10 thatmake them prime candidates for subwavelength laser and imagingtechnology. Here we report the development of an electrode-free,continuously-tunable coherent visible light source compatible withphysiological environments, from individual potassium niobate (KNbO3)nanowires. These wires exhibit efficient second harmonic generation(SHG), and act as frequency converters, allowing the local synthesis of awide range of colors via sum and difference frequency generation (SFG,DFG). We use this tunable nanometric light source to implement a novelform of subwavelength microscopy, in which an infrared (IR) laser is usedto optically trap and scan a nanowire over a sample, suggesting a …

An asymmetric total synthesis of (-)-incarvillateine, a natural product having potent analgesic properties, has been achieved in 11 steps and 15.4% overall yield. The key step is a rhodium-catalyzed intramolecular alkylation of an olefinic C-H bond to set two stereocenters. Additionally, this transformation produces an exocyclic, tetrasubstituted alkene through which the bicyclic piperidine moiety can readily be accessed.

Findings from biofuel feedstock production assessments and projections of future supply are presented and discussed. The report aims to improve capabilities to assess the degree to which imported biofuel could contribute to meeting future U.S. targets to reduce dependence on imported oil. The study scope was focused to meet time and resource requirements. A screening process identified Argentina, Brazil, Canada, China, Colombia, India, Mexico, and the Caribbean Basin Initiative (CBI) region for initial analysis, given their likely role in future feedstock supply relevant to U.S. markets. Supply curves for selected feedstocks in these countries are projected for 2012, 2017 and 2027. The supply functions, along with calculations to reflect estimated supplies available for export and/or biofuel production, were provided to DOE for use in a broader energy market allocation study. Potential cellulosic supplies from crop and forestry residues and perennials were also estimated for 2017 and 2027. The analysis identified capacity to potentially double or triple feedstock production by 2017 in some cases. A majority of supply growth is derived from increasing the area cultivated (especially sugarcane in Brazil). This is supplemented by improving yields and farming practices. Most future supplies of corn and wheat are projected to be allocated …

The molecular structures of drug target proteins and receptors form the basis for 'rational' or structure guided drug design. The majority of target structures are experimentally determined by protein X-ray crystallography, which as evolved into a highly automated, high throughput drug discovery and screening tool. Process automation has accelerated tasks from parallel protein expression, fully automated crystallization, and rapid data collection to highly efficient structure determination methods. A thoroughly designed automation technology platform supported by a powerful informatics infrastructure forms the basis for optimal workflow implementation and the data mining and analysis tools to generate new leads from experimental protein drug target structures.

The report offers preliminary recommendations for near-term actions to strengthen the U.S. effort to develop and deploy advanced energy technologies. The report comes as the Obama Administration and the 111th U.S. Congress face enormous challenges and opportunities in tackling the pressing security, economic, and environmental problems posed by the energy sector. Improving the technologies of energy supply and end-use is a prerequisite for surmounting these challenges in a timely and cost-effective way, and this report elaborates on how policy can support develop of these important energy technologies.

The stability of lamellar interfaces in lamellar TiAl by straining at ambient temperatures has been investigated using in-situ straining techniques performed in a transmission electron microscope in order to obtain direct evidence to support the previously proposed creep mechanisms in refined lamellar TiAl based upon the interface sliding in association with the cooperative motion of interfacial dislocations. The results have revealed that both sliding and migration of lamellar interfaces can take place as a result of the cooperative motion of interfacial dislocations.

Lawrence Livermore National Laboratory (LLNL) has been actively and continuously engaged in Russian geologic disposal activities since 1995. The first joint US-Russian meeting on Disposition of Excess Weapons Plutonium was held in January 1995 at Los Alamos National Laboratory (LANL). The meeting resulted in the appointment of Dr. L. J. Jardine from LLNL and Dr. T. A. Gupalo from the All-Russian Research and Design Institute of Production Engineering (VNIPIPT) as the US-Russian Federation (RF) joint co-chairs for geologic disposal of plutonium-containing materials, respectively. The initial joint studies focused on the geologic disposal of plutonium-containing materials and immobilized plutonium waste forms. These studies started in 1995, and continue in 2002. The first joint work of LLNL and VNIPIPT was documented in the October 1996 Paris P8 Nuclear Experts Meeting [1]. In summary, LLNL has been actively and continuously involved in various ways since 1995 in developing and participating in the current Russian geologic disposal program activities near the Mayak and MCC K-26 sites. Figure 1 illustrates how these various LLNL activities have been integrated, coordinated, and focused on developing geologic disposal in Russia. The various LLNL contracts are shown in the figure with the specific LLNL contract number. Reference 13 provides …

None

This project monitored the daily passage of Chinook salmon Oncorhynchus tshawytscha, steelhead trout O. mykiss, and sockeye salmon smolts O. nerka during the 2002 spring out-migration at migrant traps on the Snake River and Salmon River. In 2002 fish management agencies released significant numbers of hatchery Chinook salmon and steelhead trout above Lower Granite Dam that were not marked with a fin clip or coded-wire tag. Generally, these fish were distinguishable from wild fish by the occurrence of fin erosion. Total annual hatchery Chinook salmon catch at the Snake River trap was 11.4 times greater in 2002 than in 2001. The wild Chinook catch was 15.5 times greater than the previous year. Hatchery steelhead trout catch was 2.9 times greater than in 2001. Wild steelhead trout catch was 2.8 times greater than the previous year. The Snake River trap collected 3,996 age-0 Chinook salmon of unknown rearing. During 2002, the Snake River trap captured 69 hatchery and 235 wild/natural sockeye salmon and 114 hatchery coho salmon O. kisutch. Differences in trap catch between years are due to fluctuations not only in smolt production, but also differences in trap efficiency and duration of trap operation associated with flow. The significant increase …

This project monitored the daily passage of Chinook salmon Oncorhynchus tshawytscha, steelhead trout O. mykiss, and sockeye salmon O. nerka smolts during the 2005 spring out-migration at migrant traps on the Snake River and Salmon River. In 2005 fish management agencies released significant numbers of hatchery Chinook salmon and steelhead trout above Lower Granite Dam that were not marked with a fin clip or coded-wire tag. Generally, the age-1 and older fish were distinguishable from wild fish by the occurrence of fin erosion. Age-0 Chinook salmon are more difficult to distinguish between wild and non-adclipped hatchery fish and therefore classified as unknown rearing. The total annual hatchery spring/summer Chinook salmon catch at the Snake River trap was 0.34 times greater in 2005 than in 2004. The wild spring/summer Chinook catch was 0.34 times less than the previous year. Hatchery steelhead trout catch was 0.67 times less than in 2004. Wild steelhead trout catch was 0.72 times less than the previous year. The Snake River trap collected 1,152 age-0 Chinook salmon of unknown rearing. During 2005, the Snake River trap captured 219 hatchery and 44 wild/natural sockeye salmon and 110 coho salmon O. kisutch of unknown rearing. Differences in trap catch …

This project monitored the daily passage of Chinook salmon Oncorhynchus tshawytscha, steelhead trout O. mykiss, and sockeye salmon O. nerka smolts during the 2004 spring out-migration at migrant traps on the Snake River and Salmon River. In 2004 fish management agencies released significant numbers of hatchery Chinook salmon and steelhead trout above Lower Granite Dam that were not marked with a fin clip or coded-wire tag. Generally, these fish were distinguishable from wild fish by the occurrence of fin erosion. Total annual hatchery Chinook salmon catch at the Snake River trap was 1.1 times greater in 2004 than in 2003. The wild Chinook catch was 1.1 times greater than the previous year. Hatchery steelhead trout catch was 1.2 times greater than in 2003. Wild steelhead trout catch was 1.6 times greater than the previous year. The Snake River trap collected 978 age-0 Chinook salmon of unknown rearing. During 2004, the Snake River trap captured 23 hatchery and 18 wild/natural sockeye salmon and 60 coho salmon O. kisutch of unknown rearing. Differences in trap catch between years are due to fluctuations not only in smolt production, but also differences in trap efficiency and duration of trap operation associated with flow. Trap …

GridStat is a developing communication technology to provide real-time data delivery services to the electric power grid. It is being developed in a collaborative effort between the Electrical Power Engineering and Distributed Computing Science Departments at Washington State University. Improving the cyber security of GridStat was the principle focus of this project. A regional network was established to test GridStat’s cyber security mechanisms in a realistic environment. The network consists of nodes at Pacific Northwest National Laboratory, Idaho National Laboratory, and Washington State University. Idaho National Laboratory (INL) was tasked with performing the security assessment, the results of which detailed a number or easily resolvable and previously unknown issues, as well as a number of difficult and previously known issues. Going forward we recommend additional development prior to commercialization of GridStat. The development plan is structured into three domains: Core Development, Cyber Security and Pilot Projects. Each domain contains a number of phased subtasks that build upon each other to increase the robustness and maturity of GridStat.

This project monitored the daily passage of Chinook salmon Oncorhynchus tshawytscha, steelhead trout O. mykiss, and sockeye salmon O. nerka smolts during the 2003 spring out-migration at migrant traps on the Snake River and Salmon River. In 2003 fish management agencies released significant numbers of hatchery Chinook salmon and steelhead trout above Lower Granite Dam that were not marked with a fin clip or coded-wire tag. Generally, these fish were distinguishable from wild fish by the occurrence of fin erosion. Total annual hatchery Chinook salmon catch at the Snake River trap was 2.1 times less in 2003 than in 2002. The wild Chinook catch was 1.1 times less than the previous year. Hatchery steelhead trout catch was 1.7 times less than in 2002. Wild steelhead trout catch was 2.1 times less than the previous year. The Snake River trap collected 579 age-0 Chinook salmon of unknown rearing. During 2003, the Snake River trap captured five hatchery and 13 wild/natural sockeye salmon and 36 coho salmon O. kisutch of unknown rearing. Differences in trap catch between years are due to fluctuations not only in smolt production, but also differences in trap efficiency and duration of trap operation associated with flow. The …

This report was prepared to support the validation of analytical methods for threat contaminants under the U.S. Environmental Protection Agency (EPA) National Homeland Security Research Center (NHSRC) program. It is designed to serve as a resource for certain applications of benchmark and fate information for homeland security threat contaminants. The report identifies risk-based criteria from existing health benchmarks for drinking water and air for potential use as validation targets. The focus is on benchmarks for chronic public exposures. The priority sources are standard EPA concentration limits for drinking water and air, along with oral and inhalation toxicity values. Many contaminants identified as homeland security threats to drinking water or air would convert to other chemicals within minutes to hours of being released. For this reason, a fate analysis has been performed to identify potential transformation products and removal half-lives in air and water so appropriate forms can be targeted for detection over time. The risk-based criteria presented in this report to frame method validation are expected to be lower than actual operational targets based on realistic exposures following a release. Note that many target criteria provided in this report are taken from available benchmarks without assessing the underlying toxicological details. …

This report summarizes the Nez Perce Tribe (NPT) Department of Fisheries Resources Management (DFRM) results for the Lower Snake River Compensation Plan (LSRCP) Hatchery Evaluation studies and the Imnaha River Smolt Monitoring Program (SMP) for the 2007 smolt migration from the Imnaha River, Oregon. These studies are closely coordinated and provide information about juvenile natural and hatchery spring/summer Naco x (Chinook Salmon; Oncorhynchus tshawytscha) and Heeyey (steelhead; O. mykiss) biological characteristics, emigrant timing, survival, arrival timing and travel time to the Snake River dams and McNary Dam (MCD) on the Columbia River. These studies provide information on listed Naco x (Chinook salmon) and Heeyey (steelhead) for the Federal Columbia River Power System (FCRPS) Biological Opinion (NMFS 2000). The Lower Snake River Compensation Plan program's goal is to maintain a hatchery production program of 490,000 Naco x (Chinook salmon) and 330,000 Heeyey (steelhead) for annual release in the Imnaha River (Carmichael et al. 1998, Whitesel et al. 1998). These hatchery releases occur to compensate for fish losses due to the construction and operation of the four lower Snake River hydroelectric facilities. One of the aspects of the LSRCP hatchery evaluation studies in the Imnaha River is to determine natural and hatchery …