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Sessions covered all areas of molecular energy transfer, with 10 sessions of talks and poster sessions covering the areas of :  Energy Transfer in Inelastic and Reactive Scattering  Energy Transfer in Photoinitiated and Unimolecular Reactions  Non-adiabatic Effects in Energy Transfer  Energy Transfer at Surfaces and Interfaces  Energy Transfer in Clusters, Droplets, and Aerosols  Energy Transfer in Solution and Solid  Energy Transfer in Complex Systems  Energy Transfer: New vistas and horizons  Molecular Energy Transfer: Where Have We Been and Where are We Going?

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We investigated the influence of ionic liquids (ILs) 1-butyl-3-methylimidazolium hexafluorophosphate [BMIM]{sup +}[PF{sub 6}]{sup -}, N-ethylpyridinium trifluoroacetate [EtPy]{sup +}[CF{sub 3}COO]{sup -} and N-ethylpyridinium tetrafluoroborate [Et-Py]{sup +}[BF{sub 4}]{sup -} on uranium reduction by Clostridium sp. under anaerobic conditions. Potentiometric titration, UV-vis spectrophotometry, LC-MS and EXAFS analyses showed monodentate complexation between uranyl and BF{sub 4}{sup -} PF{sub 6}{sup -}; and bidentate complexation with CF{sub 3}COO{sup -}. Ionic liquids affected the growth of Clostridium sp. as evidenced by decrease in optical density, changes in pH, gas production, and the extent of U(VI) reduction and precipitation of U(IV) from solution. Reduction of U(VI) to U(IV) was observed in the presence of [EtPy][BF{sub 4}] and [BMIM][PF{sub 6}] but not with [EtPy][CF{sub 3}COO].

During this funding period, we have developed two breakthrough techniques. The first is stimulated Raman scattering microscopy, providing label-free chemical contrast for chemical and biomedical imaging based on vibrational spectroscopy. Spontaneous Raman microscopy provides specific vibrational signatures of chemical bonds, but is often hindered by low sensitivity. We developed a three-dimensional multiphoton vibrational imaging technique based on stimulated Raman scattering (SRS). The sensitivity of SRS imaging is significantly greater than that of spontaneous Raman microscopy, which is achieved by implementing high-frequency (megahertz) phase-sensitive detection. SRS microscopy has a major advantage over previous coherent Raman techniques in that it offers background-free and readily interpretable chemical contrast. We demonstrated a variety of biomedical applications, such as differentiating distributions of omega-3 fatty acids and saturated lipids in living cells, imaging of brain and skin tissues based on intrinsic lipid contrast, and monitoring drug delivery through the epidermis. This technology offers exciting prospect for medical imaging. The second technology we developed is stimulated emission microscopy. Many chromophores, such as haemoglobin and cytochromes, absorb but have undetectable fluorescence because the spontaneous emission is dominated by their fast non-radiative decay. Yet the detection of their absorption is difficult under a microscope. We use stimulated emission, which …

Roles, responsibilities, and processes associated with Atmospheric Radiation Measurement (ARM) Radar Operations.

Bimetallic surfaces with tunable chemical properties have attracted broad attention in recent years due to their ample potential for heterogeneous catalysis applications. The local chemical properties of constituents are strongly altered from their parent metals by 'ligand effect', a term encompassing the influences of charge transfer, orbital rehybridization and lattice strain. In comparison to the aforementioned, the 'ensemble effect' associated with particular arrangements of the active constituents have received much less attention, despite their notable importance towards the determination of reactivity and selectivity of bimetallic catalysts. We performed theoretical studies for understanding the ensemble effects on bimetallic catalysis: (i) simulations for the formation of different ensembles on PdAu and PtAu nanoclusters; (ii) studies of the size, shape, and substrate dependence of their electronic properties; and (iii) simulations for model reactions such as CO oxidation, methanol, ethylene and water dehydrogenation on PdAu and PtAu nanoclusters. In close collaboration with leading experimental groups, our theoretical research elucidated the fundamentals of Au based bimetallic nanocatalysts.

We explore the sonification of x-ray scattering data, which are two-dimensional arrays of intensity whose meaning is obscure and non-intuitive. Direct mapping of the experimental data into sound is found to produce timbral sonifications that, while sacrificing conventional aesthetic appeal, provide a rich auditory landscape for exploration. We discuss the optimization of sonification variables, and speculate on potential real-world applications. We have presented a case study of sonifying x-ray scattering data. Direct mapping of the two-dimensional intensity values of a scattering dataset into the two-dimensional matrix of a sonogram is a natural and information-preserving operation that creates rich sounds. Our work supports the notion that many problems in understanding rather abstract scientific datasets can be ameliorated by adding the auditory modality of sonification. We further emphasize that sonification need not be limited to time-series data: any data matrix is amenable. Timbral sonification is less obviously aesthetic, than tonal sonification, which generate melody, harmony, or rhythm. However these musical sonifications necessarily sacrifice information content for beauty. Timbral sonification is useful because the entire dataset is represented. Non-musicians can understand the data through the overall color of the sound; audio experts can extract more detailed insight by studying all the features of …

This project was a program to develop high-throughput methods to identify and characterize spatially localized multiprotein complexes in bacterial cells. We applied a multidisciplinary “systems engineering” approach to the detailed characterization of localized multi-protein structures in vivo – a problem that has previously been approached on a fragmented, piecemeal basis.

Due to the very small relative volatility difference between propane and propylene, current propane/propylene separation by distillation requires very tall distillation towers (150-250 theoretical plates) and large reflux ratios (up to 15), which is considered to be the most energy consuming large-scale separation process. Adsorptive separation processes are widely considered to be more energy-efficient alternatives to distillation. However, slow diffusion kinetics/mass transport rate through the adsorbent bed often limits the performance of such processes, so further improvements are possible if intra-particle mass transfer rates can be improved. Rive Technology, Inc. is developing and commercializing its proprietary mesoporous zeolite technology for catalysis and separation. With well-controlled intracrystalline mesoporosity, diffusion kinetics through such mesoporous zeolite based catalysts is much improved relative to conventional zeolites, leading to significantly better product selectivity. This 'proof-of-principle' project (DE-EE0003470) is intended to demonstrate that Rive mesoporous zeolite technology can be extended and applied in adsorptive propane/propylene separation and lead to significant energy saving compared to the current distillation process. In this project, the mesoporous zeolite Y synthesis technology was successfully extended to X and A zeolites that are more relevant to adsorbent applications. Mesoporosity was introduced to zeolite X and A for the first time while maintaining …

We describe a Chandra X-ray target-of-opportunity project designed to isolate the site of TeV flaring in the radio galaxy M87. To date, we have triggered the Chandra observations only once (2010 April) and by the time of the first of our nine observations, the TeV flare had ended. However, we found that the X-ray intensity of the unresolved nucleus was at an elevated level for our first observation. Of the more than 60 Chandra observations we have made of the M87 jet covering nine years, the nucleus was measured at a comparably high level only three times. Two of these occasions can be associated with TeV flaring, and at the time of the third event, there were no TeV monitoring activities. From the rapidity of the intensity drop of the nucleus, we infer that the size of the emitting region is of order a few light days x the unknown beaming factor; comparable to the same sort of estimate for the TeV emitting region. We also find evidence of spectral evolution in the X-ray band which seems consistent with radiative losses affecting the non-thermal population of the emitting electrons within the unresolved nucleus.

This manual documents the Lawrence Livermore National Laboratory (LLNL) Fire Protection Program. Department of Energy (DOE) Orders 420.1B, Facility Safety, requires LLNL to have a comprehensive and effective fire protection program that protects LLNL personnel and property, the public and the environment. The manual provides LLNL and its facilities with general information and guidance for meeting DOE 420.1B requirements. The recommended readers for this manual are: fire protection officers, fire protection engineers, fire fighters, facility managers, directorage assurance managers, facility coordinators, and ES and H team members.

The ARM Raman lidars are semi-autonomous ground-based systems that transmit at a wavelength of 355 nm with 300 mJ, {approx}5 ns pulses, and a pulse repetition frequency of 30Hz. Signals from the various detection channels are processed to produce time- and height-resolved estimates of several geophysical quantities, such as water vapor mixing ratio, relative humidity, aerosol scattering ratio, backscatter, optical depth, extinction, and depolarization ratio. Data processing is currently handled by a suite of six value-added product (VAP) processes. Collectively, these processes are known as the Raman Lidar Profiles VAP (RLPROF). The top-level best-estimate (BE) VAP process was introduced in order to bring together the most relevant information from the intermediate-level VAPs. As such, the BE process represents the final stage in data processing for the Raman lidar. Its principal function is to extract the primary variables from each of the intermediate-level VAPs, perform additional quality control, and combine all of this information into a single output file for the end-user. The focus of this document is to describe the processing performed by the BE VAP process.

The SuperB international team continues to optimize the design of an electron-positron collider, which will allow the enhanced study of the origins of flavor physics. The project combines the best features of a linear collider (high single-collision luminosity) and a storage-ring collider (high repetition rate), bringing together all accelerator physics aspects to make a very high luminosity of 10{sup 36} cm{sup -2} sec{sup -1}. This asymmetric-energy collider with a polarized electron beam will produce hundreds of millions of B-mesons at the Y(4S) resonance. The present design is based on extremely low emittance beams colliding at a large Piwinski angle to allow very low {beta}{sub y} without the need for ultra short bunches. Use of crab-waist sextupoles will enhance the luminosity, suppressing dangerous resonances and allowing for a higher beam-beam parameter. The project has flexible beam parameters, improved dynamic aperture, and spin-rotators in the Low Energy Ring for longitudinal polarization of the electron beam at the Interaction Point. Optimized for best colliding-beam performance, the facility may also provide high-brightness photon beams for synchrotron radiation applications.

For the 2010 ANS Embedded Topical Meeting on Decommissioning, Decontamination and Reutilization and Technology, Savannah River National Laboratory's Mike Serrato reported initial information on the newly developed specialty grout materials necessary to satisfy all requirements associated with in-situ decommissioning of P-Reactor and R-Reactor at the U.S. Department of Energy's Savannah River Site. Since that report, both projects have been successfully completed and extensive test data on both fresh properties and cured properties has been gathered and analyzed for a total of almost 191,150 m{sup 3} (250,000 yd{sup 3}) of new materials placed. The focus of this paper is to describe the (1) special grout mix for filling the P-Reactor vessel (RV) and (2) the new flowable structural fill materials used to fill the below grade portions of the facilities. With a wealth of data now in hand, this paper also captures the test results and reports on the performance of these new materials. Both reactors were constructed and entered service in the early 1950s, producing weapons grade materials for the nation's defense nuclear program. R-Reactor was shut down in 1964 and the P-Reactor in 1991. In-situ decommissioning (ISD) was selected for both facilities and performed as Comprehensive Environmental Response, Compensations …

During the period of this project, the Holographic Detector for Clouds 2 (HOLODEC 2) instrument has advanced from a laboratory-proven instrument with some initial field testing to a fully flight-tested instrument capable of providing useful cloud microphysics measurements. This can be summarized as 'Technology Readiness Level 8: Technology is proven to work - Actual technology completed and qualified through test and demonstration.' As part of this project, improvements and upgrades have been made to the optical system, the instrument power control system, the data acquisition computer, the instrument control software, the data reconstruction and analysis software, and some of the basic algorithms for estimating basic microphysical variables like droplet diameter. Near the end of the project, the instrument flew on several research flights as part of the IDEAS 2011 project, and a small sample of data from the project is included as an example. There is one caveat in the technology readiness level stated above: the upgrades to the instrument power system were made after the flight testing, so they are not fully field proven. We anticipate that there will be an opportunity to fly the instrument as part of the IDEAS project in fall 2012.

This report serves as the combined annual report for post-closure activities for the following closed Corrective Action Units (CAUs): (1) CAU 90, Area 2 Bitcutter Containment; (2) CAU 91, Area 3 U-3fi Injection Well; (3) CAU 92, Area 6 Decon Pond Facility; (4) CAU 110, Area 3 WMD U-3ax/bl Crater; and (5) CAU 112, Area 23 Hazardous Waste Trenches. This report covers fiscal year 2011 (October 2010-September 2011). The post-closure requirements for these sites are described in Resource Conservation and Recovery Act Permit Number NEV HW0101 and summarized in each CAU-specific section in Section 1.0 of this report. Site inspections are conducted semiannually at CAUs 90 and 91 and quarterly at CAUs 92, 110, and 112. Additional inspections are conducted at CAU 92 if precipitation occurs in excess of 0.50 inches in a 24-hour period. Inspections include an evaluation of the condition of the units and identification of any deficiencies that may compromise the integrity of the units. The condition of covers, fencing, signs, gates, and locks is documented. In addition, soil moisture monitoring and subsidence surveys are conducted at CAU 110. The results of the inspections, summary of maintenance activities, results of vegetations surveys, and analysis of monitoring data …

Detailed safety analyses have been performed for the 20 MW D{sub 2}O moderated research reactor (NBSR) at the National Institute of Standards and Technology (NIST). The time-dependent analysis of the primary system is determined with a RELAP5 transient analysis model that includes the reactor vessel, the pump, heat exchanger, fuel element geometry, and flow channels for both the six inner and twenty-four outer fuel elements. A post-processing of the simulation results has been conducted to evaluate minimum critical heat flux ratio (CHFR) using the Sudo-Kaminaga correlation. Evaluations are performed for the following accidents: (1) the control rod withdrawal startup accident and (2) the maximum reactivity insertion accident. In both cases the RELAP5 results indicate that there is adequate margin to CHF and no damage to the fuel will occur because of sufficient coolant flow through the fuel channels and the negative scram reactivity insertion.

Resolution of the nation's high-level tank waste legacy requires the design, construction, and operation of large and technically complex one-of-a-kind processing waste treatment and vitrification facilities. While the ultimate limits for waste loading and melter efficiency have yet to be defined or realized, significant reductions in glass volumes for disposal and mission life may be possible with advancements in melter technologies and/or glass formulations. This test report describes the experimental results from a small-scale test using the research-scale melter (RSM) at Pacific Northwest National Laboratory (PNNL) to demonstrate the viability of iron-phosphate-based glass with a selected waste composition that is high in sulfate (4.37 wt% SO3). The primary objective of the test was to develop data to support a cost-benefit analysis related to the implementation of phosphate-based glasses for Hanford low-activity waste (LAW) and/or other high-level waste streams within the U.S. Department of Energy complex. The testing was performed by PNNL and supported by Idaho National Laboratory, Savannah River National Laboratory, Missouri University of Science and Technology, and Mo-Sci Corporation.

Nuclear fusion has the potential to satisfy the prodigious power that the world will demand in the future, but it has yet to be harnessed as a practical energy source. The entry of fusion as a viable, competitive source of power has been stymied by the challenge of finding an economical way to provide for the confinement and heating of the plasma fuel. It is the contention here that a simpler path to fusion can be achieved by creating fusion conditions in a different regime at small scale (~ a few cm). One such program now under study, referred to as Magnetized Target Fusion (MTF), is directed at obtaining fusion in this high energy density regime by rapidly compressing a compact toroidal plasmoid commonly referred to as a Field Reversed Configuration (FRC). To make fusion practical at this smaller scale, an efficient method for compressing the FRC to fusion gain conditions is required. In one variant of MTF a conducting metal shell is imploded electrically. This radially compresses and heats the FRC plasmoid to fusion conditions. The closed magnetic field in the target plasmoid suppresses the thermal transport to the confining shell, thus lowering the imploding power needed to compress …

To support the LLNL ARM infrastructure team Climate Modeling Best Estimate (CMBE) data development, the University of North Dakota (UND)'s group will provide the LLNL team the NASA CERES and ISCCP satellite retrieved cloud and radiative properties for the periods when they are available over the ARM permanent research sites. The current available datasets, to date, are as follows: the CERES/TERRA during 200003-200812; the CERES/AQUA during 200207-200712; and the ISCCP during 199601-200806. The detailed parameters list below: (1) CERES Shortwave radiative fluxes (net and downwelling); (2) CERES Longwave radiative fluxes (upwelling) - (items 1 & 2 include both all-sky and clear-sky fluxes); (3) CERES Layered clouds (total, high, middle, and low); (4) CERES Cloud thickness; (5) CERES Effective cloud height; (6) CERES cloud microphysical/optical properties; (7) ISCCP optical depth cloud top pressure matrix; (8) ISCCP derived cloud types (r.g., cirrus, stratus, etc.); and (9) ISCCP infrared derived cloud top pressures. (10) The UND group shall apply necessary quality checks to the original CERES and ISCCP data to remove suspicious data points. The temporal resolution for CERES data should be all available satellite overpasses over the ARM sites; for ISCCP data, it should be 3-hourly. The spatial resolution is the closest …