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Laboratory Directed Research & Development Program Activities For BNL-52351-2007 Laboratory Directed Research & Development Program Activities For FY 2007 Annual Report BROOKHAVEN NATIONAL LABORATORY BROOKHAVEN SCIENCE ASSOCIATES UPTON, NEW YORK 11973-5000 UNDER CONTRACT NO. DE-AC02-98CH10886 UNITED STATES DEPARTMENT OF ENERGY December 2007 Acknowledgments The Laboratory Directed Research and Development (LDRD) Program is managed by Leonard Newman, who serves as the Scientific Director, and by Kevin Fox, Special Assistant to the Assistant Laboratory Director for Finance (ALDF). Preparation of the FY 2007 report was coordinated and edited by Leonard Newman who wishes to thank Sabrina Parrish for her assistance in organizing, typing, and proofing the document. A special thank you is also extended to the Production Services Group for their help in publishing. Of course, a very special acknowledgement is extended to all of the authors of the project annual reports and to their assistants. Table of Contents Introduction ...................................................................................................................... 1 Project Summaries 3 Complex Thin Films and Nanomaterial Properties .........................................................................4 Heavy Ion Physics with the ATLAS Detector.................................................................................5 Behavior of Water on Chemically Modified Semiconductor Surfaces: Toward Photochemical Hydrogen Production..............................................................................6 Multifunctional Nanomaterials for Biology ....................................................................................8 Intense THz Source and Application to Magnetization Dynamics................................................10 Nanoscale Imaging of Whole Cells with Hard X-Ray Microscopy ..............................................12 Development of Methodologies for Analyzing Transcription Factor Binding in Whole Genomes........................................................................................................14 Positron Labeled Stem Cells for Non-Invasive PET Imaging Studies of In Vivo Trafficking and Biodistribution ....................................................................16 Novel Multi-Modality MRI and Transcranial Magnetic Stimulation To Study Brain Connectivity ......................................................................................................18 Feasibility of CZT for Next-Generation PET Performance...........................................................20 Biology on Massively Parallel Computers ....................................................................................22 Giant Proximity Effect in High-Temperature Superconductors ....................................................23 Study of High-Tc Nanostructures...................................................................................................25 Lattice Studies of QCD Thermodynamics on the QCDOC...........................................................27 Detector Development for Very Long Baseline Neutrino Experiments........................................29 Detector for High Quality Imagers of Electron Microscopy .........................................................31 Table of Contents Transparent Photocathode Development .......................................................................................33 Synthesis and Characterization of Band-Gap-Narrowed TiO2 Thin Films and Nanoparticles for Solar Energy Conversion ........................................................................35 Multiscale Analysis of In Vivo Nanoparticle Exposure.................................................................37 Development of Gadolinium-Loaded Liquid-Scintillators with Long-Term Chemical Stability for a New High-Precision Measurement of the Neutrino Mixing Angle, Theta-13 ....39 Electronic Properties of Carbon Nanotubes and Novel Multicomponent Nanomaterials.............41 Growth and Characterization of CdZnTe Crystals for Improved Nuclear Radiation Detectors .....................................................................................................................................43 Design, Synthesis and Characterization of a New Class of Hydrocarbon Polymers Containing Zwitter Ions and Nano-Structured Composites for High Temperature Membrane in PEM Fuel Cells ....................................................................................................45 Novel Materials for Hard X-Ray Optics........................................................................................47 Nano-Crystallography of Individual Nanotubes and Nanoparticles..............................................49 High-Temperature Superconducting Magnet Development..........................................................51 Epigenetics: Methamphetamine (MAP)-Induced Brain Dysfunction and Methylation of DNA...................................................................................................................53 Molecular Mechanism of Chromosomal Replication Initiation in Eukaryotic System.................55 Diversification of Isoflavonoid Biosynthesis ................................................................................57 Metabolic Flux Analysis in Arabidopsis Thaliana........................................................................59 Transformation and Fate of Nanoparticles in the Environment ....................................................61 Development of a Cloud Condensation Nucleus Separator...........................................................63 Aluminum Hydride – An Ideal Hydrogen Source for Small Fuel Cells........................................65 Gamma Ray Imager for National Security Applications...............................................................67 Table of Contents Neurogenomics: Collaboration Between the Biology Department and the Brookhaven Center for Translational Neuroimaging to Investigate Complex Disease States........................69 Nanoparticles Labeled Neural Stem Cells Tracking In Vivo by Magnetic Resonance Microscopy (MRM)..................................................................................................71 MicroCT Methods of Quantitative Adipose Imaging: Development of a Long-Term Assessment Technique for Studying Obesity in a Rodent Model ..............................................73 Photocatalytic Reduction of CO2 in Supercritical CO2 .................................................................75 QCD Thermodynamics at Non-Zero Temperature and Density....................................................77 Lattice QCD Simulations on BlueGene/L .....................................................................................79 Proof-of-Principal Laser System for ILC Positron Source............................................................80 Sensitive Searches for CP-Violation in Hadronic Systems ...........................................................82 Feasibility and Design Study for a Detector for e+p, e+A, p+p, p+A and A+A Collisions at BNL .......................................................................................................................83 A Novel and Compact Muon Telescope Detector for QCD Lab...................................................85 Design Optimization of a Reactor Neutrino Experiment...............................................................87 Development of Laser Beam Shaper for Low Emittance Electron Beams....................................89 Surface Engineered and Core Shell Nanowires: Nanoscale Building Blocks For Third Generation Photovoltaics ...........................................................................................91 Precision Assembly of Nano-Objects – Approaching Artificial Photosynthesis ..........................93 Photocatalytic Carbon Dioxide Reduction to Methanol using Metal Complexes with an NADH Model Ligand ....................................................................................................95 Structure of Mass-Size Selected Nanoparticles by Scanning Transmission Electron Microscopy...................................................................................................................97 Table of Contents Synthesis of Conjugated Polymers for Fundamental Questions in Solar Energy..........................99 Ultra-Thin Graphite Analog Compounds ....................................................................................101 Lipid-Coated Nanoparticles and Their Interactions with Lipid Membrane Surfaces.....................................................................................................................................103 Angle-Resolved Time-of-Flight Ion Scattering Spectroscopy from MBE-Grown Oxide Thin Film Surfaces....................................................................................................................105 Genome Analysis of Endophytic Bacteria that Promote Growth of Poplar For Biomass Production............................................................................................................107 Structural Features of the Oxygen Tolerant Hydrogenase from Thermatoga Neapolitana ..........................................................................................................109 Characterization of Enzymatic O-acylation to Facilitate Biomass and Bioenergy Production.................................................................................................................................111 Functional
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