FN Thomson Reuters Web of Science™ VR 1.0 PT S AU Sykes, R Yung, M Novaes, E Kirst, M Peter, G Davis, M AF Sykes, Robert Yung, Matthew Novaes, Evandro Kirst, Matias Peter, Gary Davis, Mark BE Mielenz, JR TI High-Throughput Screening of Plant Cell-Wall Composition Using Pyrolysis Molecular Beam Mass Spectroscopy SO BIOFUELS: METHODS AND PROTOCOLS SE Methods in Molecular Biology LA English DT Article; Book Chapter DE High-throughput screening; Lignin; Molecular beam mass spectrometry; Chemical composition; Cell-wall chemistry ID GLOBULUS WOOD LIGNIN; GAS-CHROMATOGRAPHY; SYRINGYL/GUAIACYL RATIO; CHEMICAL-CHANGES; LOBLOLLY-PINE; SPECTROMETRY; IDENTIFICATION; BIOMASS; TREE; BACTERIA AB We describe a high-throughput method for estimating cell-wall chemistry traits using analytical pyrolysis. The instrument used to perform the high-throughput cell-wall chemistry analysis consists of a commercially available pyrolysis unit and autosampler coupled to a Custom-built molecular beam mass spectrometer. The system is capable of analyzing approximately 42 biomass samples per hour. Lignin content and syringyl to guaiacol (S/G) ratios can be estimated directly from the spectra and differences in cell wall chemistry in large groups of samples can easily be identified using multivariate statistical data analysis methods. The utility of the system is demonstrated on a set of 800 greenhouse-grown poplar trees grown under two contrasting nitrogen treatments. High-throughput analytical pyrolysis was able to determine that the lignin content varied between 13 and 28% and the S/G ratio ranged from 0.5 to 1.5. There was more cell-wall chemistry variation in the plants grown under high nitrogen conditions than trees grown under nitrogen-deficiency conditions. Analytical pyrolysis allows the user to rapidly screen large numbers of samples at low cost, using very little sample material while producing reliable and reproducible results. C1 [Sykes, Robert; Yung, Matthew; Davis, Mark] Natl Renewable Energy Lab, Golden, CO USA. [Novaes, Evandro; Kirst, Matias; Peter, Gary] Univ Florida, Sch Forest Resources & Conservat, Gainesville, FL 32611 USA. RP Sykes, R (reprint author), Natl Renewable Energy Lab, Golden, CO USA. RI Novaes, Evandro/H-8710-2014; OI Novaes, Evandro/0000-0003-3803-0339; davis, mark/0000-0003-4541-9852 NR 24 TC 47 Z9 47 U1 0 U2 13 PU HUMANA PRESS INC PI TOTOWA PA 999 RIVERVIEW DR, STE 208, TOTOWA, NJ 07512-1165 USA SN 1064-3745 BN 978-1-60761-213-1 J9 METHODS MOL BIOL JI Methods Mol. Biol. PY 2009 VL 581 BP 169 EP 183 DI 10.1007/978-1-60761-214-8_12 PG 15 WC Biochemical Research Methods; Energy & Fuels SC Biochemistry & Molecular Biology; Energy & Fuels GA BMH10 UT WOS:000272323600012 PM 19768623 ER PT S AU Compere, AL Griffith, WL AF Compere, Alicia L. Griffith, William L. BE Mielenz, JR TI Preparation and Analysis of Biomass Lignins SO BIOFUELS: METHODS AND PROTOCOLS SE Methods in Molecular Biology LA English DT Article; Book Chapter DE Lignin; Biomass; Separation; Analysis ID DIETARY FIBER AB Lignin, comprised primarily of three randomly polymerized phenylpropenyl monomers, is, arguably, the second most common organic molecule an earth. In current biorefinery applications, lignin is burned, usually in concentrated pulping or hydrolysis liquor, as a source of process steam and both internal and exported electricity. The aromatic content of lignin makes it a potentially attractive feedstock for high-value aromatic chemicals, polymers, and carbon products (graphite, activated carbon, and carbon fiber). Revenue from production of lignin-based chemicals could play a major role in biorefinery profitability if cost-effective methods for lignin separation and purification can be developed. This chapter presents descriptions of methods for assessing and purifying biorefinery lignins so that they can be evaluated for use as feedstock for production of chemical products. Areas covered are: (1) initial evaluations of as-received lignin samples (visual, microscopic, separable organics); (2) analysis of common contaminants (bulk and filterable ash and particulate contaminants in liquid and dry lignin samples); (3) preparation of lignins for experimental use as chemical feedstock (prefiltration, filtration using bench-scale chemical apparatus and larger scale bag filters, one-step lignin precipitation, two-step carbohydrate and lignin precipitation, desalting of dry powdered or precipitated lignin, and lyophilization). These methods have been used successfully at the bench scale to produce the 1-50 kg amounts of wood and grass lignins typically required for bench-scale assessment as chemical feedstocks. C1 [Compere, Alicia L.; Griffith, William L.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Compere, AL (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. NR 14 TC 6 Z9 6 U1 0 U2 12 PU HUMANA PRESS INC PI TOTOWA PA 999 RIVERVIEW DR, STE 208, TOTOWA, NJ 07512-1165 USA SN 1064-3745 BN 978-1-60761-213-1 J9 METHODS MOL BIOL JI Methods Mol. Biol. PY 2009 VL 581 BP 185 EP 212 DI 10.1007/978-1-60761-214-8_13 PG 28 WC Biochemical Research Methods; Energy & Fuels SC Biochemistry & Molecular Biology; Energy & Fuels GA BMH10 UT WOS:000272323600013 PM 19768624 ER PT S AU Dowe, N AF Dowe, Nancy BE Mielenz, JR TI Assessing Cellulase Performance on Pretreated Lignocellulosic Biomass Using Saccharification and Fermentation-Based Protocols SO BIOFUELS: METHODS AND PROTOCOLS SE Methods in Molecular Biology LA English DT Article; Book Chapter DE Cellulases; Lignocellulose; Saccharification; Simultaneous saccharification and fermentation; Pretreatment; Biomass; Ethanol ID ETHANOL; TECHNOLOGY; GLUCOSE; XYLOSE; FUEL AB Cellulase enzyme is a key cost component in the production of fuels and chemicals from lignocellulosic biomass. Cellulolytic ability of the enzyme preparation is often measured by activity assays using model Substrates such as filter paper. Using lignocellulosic biomass as the Substrate to assess enzyme performance has the potential of being more process relevant. We describe two procedures that use washed pretreated cellulosic material to measure the efficacy of cellulase enzymes. First, a saccharification assay that measures glucose yield as a function of the amount of cellulase used in the process. And second, the simultaneous saccharification and fermentation (SSF) assay measures cellulase performance by the amount of ethanol produced from enzymatic hydrolysis of the cellulosic material. You call use both assays to screen cellulases under a variety of Substrate types, loadings, and process conditions. C1 Natl Renewable Energy Lab, Golden, CO USA. RP Dowe, N (reprint author), Natl Renewable Energy Lab, Golden, CO USA. NR 15 TC 4 Z9 4 U1 1 U2 9 PU HUMANA PRESS INC PI TOTOWA PA 999 RIVERVIEW DR, STE 208, TOTOWA, NJ 07512-1165 USA SN 1064-3745 BN 978-1-60761-213-1 J9 METHODS MOL BIOL JI Methods Mol. Biol. PY 2009 VL 581 BP 233 EP 245 DI 10.1007/978-1-60761-214-8_15 PG 13 WC Biochemical Research Methods; Energy & Fuels SC Biochemistry & Molecular Biology; Energy & Fuels GA BMH10 UT WOS:000272323600015 PM 19768626 ER PT J AU Plante, AF Magrini-Bair, K Vigil, M Paul, EA AF Plante, Alain F. Magrini-Bair, Kim Vigil, Merle Paul, Eldor A. TI Pyrolysis-molecular beam mass spectrometry to characterize soil organic matter composition in chemically isolated fractions from differing land uses SO BIOGEOCHEMISTRY LA English DT Article; Proceedings Paper CT 3rd International Conference on Mechanisms of Organic Matter Stabilization and Destabilization in Soils and Sediments CY SEP 23-26, 2007 CL Glenelg, AUSTRALIA DE Soil organic matter; Chemical fractionation; Humic acid; Pyrolysis; Mass spectrometry ID PARTICLE-SIZE FRACTIONS; LONG-TERM CULTIVATION; C-13 NMR-SPECTRA; HUMIC SUBSTANCES; ACID-HYDROLYSIS; CARBON POOLS; PRAIRIE SOILS; FOREST SOIL; WHOLE SOILS; ARABLE SOIL AB Today's questions concerning the role of soil organic matter (SOM) in soil fertility, ecosystem functioning and global change can only be addressed through knowledge of the controls on SOM stabilization and their interactions. Pyrolysis molecular beam mass spectrometry (py-MBMS) provides a powerful and rapid means of assessing the biochemical composition of SOM. However, characterization of SOM composition alone is insufficient to predict its dynamic behavior. Chemical fractionation is frequently used to isolate more homogeneous SOM components, but the composition of fractions is frequently unknown. We characterized biochemical SOM composition in two previously studied soils from the USA, under contrasting land uses: cultivated agriculture and native vegetation. Bulk soils, as well as chemically isolated SOM fractions (humic acid, humin and non-acid hydrolysable), were analyzed using py-MBMS. Principal components analysis (PCA) showed distinct differences in the SOM composition of isolated fractions. Py-MBMS spectra and PCA loadings were dominated by low molecular weight fragments associated with peptides and other N-containing compounds. The py-MBMS spectra were similar for native whole-soil samples under different vegetation, while cultivation increased heterogeneity. An approach based on previously published data on marker signals also suggests the importance of peptides in distinguishing samples. While the approach described here represents significant progress in the characterization of changing SOM composition, a truly quantitative analysis will only be achieved using multiple internal standards and by correcting for inorganic interference during py-MBMS analysis. Overall, we have provided proof of principle that py-MBMS can be a powerful tool to understand the controls on SOM dynamics, and further method development is underway. C1 [Plante, Alain F.] Univ Penn, Dept Earth & Environm Sci, Philadelphia, PA 19104 USA. [Magrini-Bair, Kim] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Vigil, Merle] ARS, USDA, Akron, CO 80720 USA. [Paul, Eldor A.] Colorado State Univ, Nat Resource Ecol Lab, Ft Collins, CO 80521 USA. RP Plante, AF (reprint author), Univ Penn, Dept Earth & Environm Sci, Hayden Hall,240 S 33rd St, Philadelphia, PA 19104 USA. EM aplante@sas.upenn.edu RI Plante, Alain/C-3498-2008 OI Plante, Alain/0000-0003-0124-6187 NR 57 TC 11 Z9 11 U1 2 U2 17 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0168-2563 J9 BIOGEOCHEMISTRY JI Biogeochemistry PD JAN PY 2009 VL 92 IS 1-2 BP 145 EP 161 DI 10.1007/s10533-008-9218-3 PG 17 WC Environmental Sciences; Geosciences, Multidisciplinary SC Environmental Sciences & Ecology; Geology GA 403WY UT WOS:000263113900011 ER PT J AU Nguyen, BT Lehmann, J Kinyangi, J Smernik, R Riha, SJ Engelhard, MH AF Nguyen, Binh Thanh Lehmann, Johannes Kinyangi, James Smernik, Ron Riha, Susan J. Engelhard, Mark H. TI Long-term black carbon dynamics in cultivated soil SO BIOGEOCHEMISTRY LA English DT Article; Proceedings Paper CT 3rd International Conference on Mechanisms of Organic Matter Stabilization and Destabilization in Soils and Sediments CY SEP 23-26, 2007 CL Glenelg, AUSTRALIA DE Biochar; Black carbon; Charcoal; FTIR; Long-term agriculture; XPS ID ORGANIC-MATTER; RAIN-FOREST; CHARCOAL; SEDIMENTS; MOBILITY; STATE; FIRE; NMR; TRANSFORMATION; ECOSYSTEMS AB Black carbon (BC) is a quantitatively important C pool in the global C cycle due to its relative recalcitrance compared with other C pools. However, mechanisms of BC oxidation and accompanying molecular changes are largely unknown. In this study, the long-term dynamics in quality and quantity of BC were investigated in cultivated soil using X-ray photoelectron spectroscopy (XPS), Fourier-transform infrared (FTIR) and nuclear magnetic resonance (NMR) techniques. BC particles and changes in BC stocks were obtained from soil collected in fields that were cleared from forest by fire at 8 different times in the past (2, 3, 5, 20, 30, 50, 80 and 100 years before sampling) in western Kenya. BC contents rapidly decreased from 12.7 to 3.8 mg C g(-1) soil during the first 30 years following deposition, after which they slowly decreased to a steady state at 3.5 mg C g(-1) soil. BC-derived C losses from the top 0.1 m over 100 years were estimated at 6,000 kg C ha(-1). The initial rapid changes in BC stocks resulted in a mean residence time of only around 8.3 years, which was likely a function of both decomposition as well as transport processes. The molecular properties of BC changed more rapidly on surfaces than in the interior of BC particles and more rapidly during the first 30 years than during the following 70 years. The Oc/C ratios (Oc is O bound to C) and carbonyl groups (C=O) increased over the first 10 and 30 years by 133 and 192%, respectively, indicating oxidation was an important process controlling BC quality. Al, Si, polysaccharides, and to a lesser extent Fe were found on BC particle surfaces within the first few years after BC deposition to soil. The protection by physical and chemical stabilization was apparently sufficient to not only minimize decomposition below detection between 30 and 100 years after deposition, but also physical export by erosion and vertical transport below 0.1 m. C1 [Nguyen, Binh Thanh; Lehmann, Johannes; Kinyangi, James] Cornell Univ, Dept Crop & Soil Sci, Ithaca, NY 14853 USA. [Smernik, Ron] Univ Adelaide, Sch Earth & Environm Sci, Adelaide, SA, Australia. [Riha, Susan J.] Cornell Univ, Dept Earth & Atmospher Sci, Ithaca, NY 14853 USA. [Engelhard, Mark H.] PNNL, Environm Mol Sci Lab, Richland, WA 99352 USA. RP Lehmann, J (reprint author), Cornell Univ, Dept Crop & Soil Sci, 909 Bradfield Hall, Ithaca, NY 14853 USA. EM CL273@cornell.edu RI Engelhard, Mark/F-1317-2010; Nguyen, Binh/D-1103-2011; Smernik, Ron/H-9905-2013; Lehmann, Johannes/H-2682-2014; OI Lehmann, Johannes/0000-0002-4701-2936; Smernik, Ronald/0000-0001-6033-5855; Engelhard, Mark/0000-0002-5543-0812 NR 45 TC 62 Z9 73 U1 5 U2 88 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0168-2563 J9 BIOGEOCHEMISTRY JI Biogeochemistry PD JAN PY 2009 VL 92 IS 1-2 BP 163 EP 176 DI 10.1007/s10533-008-9248-x PG 14 WC Environmental Sciences; Geosciences, Multidisciplinary SC Environmental Sciences & Ecology; Geology GA 403WY UT WOS:000263113900012 ER PT J AU Lokupitiya, E Denning, S Paustian, K Baker, I Schaefer, K Verma, S Meyers, T Bernacchi, CJ Suyker, A Fischer, M AF Lokupitiya, E. Denning, S. Paustian, K. Baker, I. Schaefer, K. Verma, S. Meyers, T. Bernacchi, C. J. Suyker, A. Fischer, M. TI Incorporation of crop phenology in Simple Biosphere Model (SiBcrop) to improve land-atmosphere carbon exchanges from croplands SO BIOGEOSCIENCES LA English DT Review ID SURFACE PARAMETERIZATION SIB2; GENERAL-CIRCULATION MODEL; MAX L MERRILL; TERRESTRIAL BIOPHYSICAL PARAMETERS; DRY MATTER ACCUMULATION; RAIN-FED MAIZE; WINTER-WHEAT; GLYCINE-MAX; HARVEST INDEX; STOMATAL CONDUCTANCE AB Croplands are man-made ecosystems that have high net primary productivity during the growing season of crops, thus impacting carbon and other exchanges with the atmosphere. These exchanges play a major role in nutrient cycling and climate change related issues. An accurate representation of crop phenology and physiology is important in land-atmosphere carbon models being used to predict these exchanges. To better estimate time-varying exchanges of carbon, water, and energy of croplands using the Simple Biosphere (SiB) model, we developed crop-specific phenology models and coupled them to SiB. The coupled SiB-phenology model (SiBcrop) replaces remotely-sensed NDVI information, on which SiB originally relied for deriving Leaf Area Index (LAI) and the fraction of Photosynthetically Active Radiation (fPAR) for estimating carbon dynamics. The use of the new phenology scheme within SiB substantially improved the prediction of LAI and carbon fluxes for maize, soybean, and wheat crops, as compared with the observed data at several AmeriFlux eddy covariance flux tower sites in the US mid continent region. SiBcrop better predicted the onset and end of the growing season, harvest, interannual variability associated with crop rotation, day time carbon uptake (especially for maize) and day to day variability in carbon exchange. Biomass predicted by SiBcrop had good agreement with the observed biomass at field sites. In the future, we will predict fine resolution regional scale carbon and other exchanges by coupling SiBcrop with RAMS (the Regional Atmospheric Modeling System). C1 [Lokupitiya, E.; Denning, S.; Baker, I.] Colorado State Univ, Dept Atmospher Sci, Ft Collins, CO 80523 USA. [Paustian, K.] Colorado State Univ, Dept Soil & Crop Sci, Ft Collins, CO 80523 USA. [Paustian, K.] Colorado State Univ, Nat Resource Ecol Lab, Ft Collins, CO 80523 USA. [Schaefer, K.] Univ Colorado, Natl Snow & Ice Data Ctr, Boulder, CO 80309 USA. [Verma, S.; Suyker, A.] Univ Nebraska, Sch Nat Resources, Lincoln, NE 68583 USA. [Meyers, T.] ATDD, ARL, NOAA, Oak Ridge, TN 37830 USA. [Bernacchi, C. J.] Univ Illinois, Dept Plant Biol, Champaign, IL 61820 USA. [Fischer, M.] Univ Calif Berkeley, Lawrence Berkeley Lab, Environm Energy Technol Div, Dept Atmospher Sci, Berkeley, CA 94720 USA. RP Lokupitiya, E (reprint author), Colorado State Univ, Dept Atmospher Sci, Ft Collins, CO 80523 USA. EM erandi@atmos.colostate.edu RI Meyers, Tilden/C-6633-2016; Paustian, Keith/L-7593-2016; OI Bernacchi, Carl/0000-0002-2397-425X FU National Institute for Climate Change Research (NICCR) [MTU 050516Z14]; Department of Energy (DoE) [DE-FG02-06ER64317, DE-AC02-05CH11231] FX This research was supported by the National Institute for Climate Change Research (NICCR), under Contract No MTU 050516Z14, and the Department of Energy (DoE) under Contract Nos DE-FG02-06ER64317 and DE-AC02-05CH11231. The winter wheat data were collected and made available through the US DoE as part of the Atmospheric Radiation Measurement Program. We would like to thank Joe Berry, Jim Collatz, Chris Williams, Lingxiao Zhang, and Steve Williams for their support on this work. NR 121 TC 63 Z9 64 U1 1 U2 31 PU COPERNICUS PUBLICATIONS PI KATHLENBURG-LINDAU PA MAX-PLANCK-STR 13, KATHLENBURG-LINDAU, 37191, GERMANY SN 1726-4170 J9 BIOGEOSCIENCES JI Biogeosciences PY 2009 VL 6 IS 6 BP 969 EP 986 PG 18 WC Ecology; Geosciences, Multidisciplinary SC Environmental Sciences & Ecology; Geology GA 464XN UT WOS:000267543100003 ER PT J AU Lokupitiya, E Denning, S Paustian, K Baker, I Schaefer, K Verma, S Meyers, T Bernacchi, CJ Suyker, A Fischer, M AF Lokupitiya, E. Denning, S. Paustian, K. Baker, I. Schaefer, K. Verma, S. Meyers, T. Bernacchi, C. J. Suyker, A. Fischer, M. TI Incorporation of crop phenology in Simple Biosphere Model (SiBcrop) to improve land-atmosphere carbon exchanges from croplands (vol 6, pg 969, 2009) SO BIOGEOSCIENCES LA English DT Correction AB No abstract available. C1 [Lokupitiya, E.; Denning, S.; Baker, I.] Colorado State Univ, Dept Atmospher Sci, Ft Collins, CO 80523 USA. [Paustian, K.] Colorado State Univ, Dept Soil & Crop Sci, Ft Collins, CO 80523 USA. [Paustian, K.] Colorado State Univ, Nat Resource Ecol Lab, Ft Collins, CO 80523 USA. [Schaefer, K.] Univ Colorado, Natl Snow & Ice Data Ctr, Boulder, CO 80309 USA. [Verma, S.; Suyker, A.] Univ Nebraska, Sch Nat Resources, Lincoln, NE 68583 USA. [Meyers, T.] ATDD, ARL, NOAA, Oak Ridge, TN 37830 USA. [Bernacchi, C. J.] Univ Illinois, Dept Plant Biol, Champaign, IL 61820 USA. [Fischer, M.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Energy Technol, Dept Atmospher Sci, Berkeley, CA 94720 USA. RP Lokupitiya, E (reprint author), Colorado State Univ, Dept Atmospher Sci, Ft Collins, CO 80523 USA. EM erandi@atmos.colostate.edu RI Paustian, Keith/L-7593-2016 NR 1 TC 3 Z9 3 U1 0 U2 5 PU COPERNICUS PUBLICATIONS PI KATHLENBURG-LINDAU PA MAX-PLANCK-STR 13, KATHLENBURG-LINDAU, 37191, GERMANY SN 1726-4170 J9 BIOGEOSCIENCES JI Biogeosciences PY 2009 VL 6 IS 6 BP 1103 EP 1103 PG 1 WC Ecology; Geosciences, Multidisciplinary SC Environmental Sciences & Ecology; Geology GA 464XN UT WOS:000267543100010 ER PT J AU Thornton, PE Doney, SC Lindsay, K Moore, JK Mahowald, N Randerson, JT Fung, I Lamarque, JF Feddema, JJ Lee, YH AF Thornton, P. E. Doney, S. C. Lindsay, K. Moore, J. K. Mahowald, N. Randerson, J. T. Fung, I. Lamarque, J. -F. Feddema, J. J. Lee, Y. -H. TI Carbon-nitrogen interactions regulate climate-carbon cycle feedbacks: results from an atmosphere-ocean general circulation model SO BIOGEOSCIENCES LA English DT Article ID NORTHERN HARDWOOD FORESTS; LAND-USE HISTORY; ELEVATED CO2; TERRESTRIAL ECOSYSTEMS; SYSTEM MODEL; LIMITATION; SEQUESTRATION; DEPOSITION; DIOXIDE; CCSM3 AB Inclusion of fundamental ecological interactions between carbon and nitrogen cycles in the land component of an atmosphere-ocean general circulation model (AOGCM) leads to decreased carbon uptake associated with CO2 fertilization, and increased carbon uptake associated with warming of the climate system. The balance of these two opposing effects is to reduce the fraction of anthropogenic CO2 predicted to be sequestered in land ecosystems. The primary mechanism responsible for increased land carbon storage under radiatively forced climate change is shown to be fertilization of plant growth by increased mineralization of nitrogen directly associated with increased decomposition of soil organic matter under a warming climate, which in this particular model results in a negative gain for the climate-carbon feedback. Estimates for the land and ocean sink fractions of recent anthropogenic emissions are individually within the range of observational estimates, but the combined land plus ocean sink fractions produce an airborne fraction which is too high compared to observations. This bias is likely due in part to an underestimation of the ocean sink fraction. Our results show a significant growth in the airborne fraction of anthropogenic CO2 emissions over the coming century, attributable in part to a steady decline in the ocean sink fraction. Comparison to experimental studies on the fate of radio-labeled nitrogen tracers in temperate forests indicates that the model representation of competition between plants and microbes for new mineral nitrogen resources is reasonable. Our results suggest a weaker dependence of net land carbon flux on soil moisture changes in tropical regions, and a stronger positive growth response to warming in those regions, than predicted by a similar AOGCM implemented without land carbon-nitrogen interactions. We expect that the between-model uncertainty in predictions of future atmospheric CO2 concentration and associated anthropogenic climate change will be reduced as additional climate models introduce carbon-nitrogen cycle interactions in their land components. C1 [Thornton, P. E.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Doney, S. C.] Woods Hole Oceanog Inst, Dept Marine Chem & Geochem, Woods Hole, MA 02543 USA. [Lindsay, K.; Lee, Y. -H.] Natl Ctr Atmospher Res, Climate & Global Dynam Div, Boulder, CO 80307 USA. [Moore, J. K.; Randerson, J. T.] Univ Calif Irvine, Dept Earth Syst Sci, Irvine, CA 92697 USA. [Mahowald, N.] Cornell Univ, Dept Earth & Atmospher Sci, Ithaca, NY 14850 USA. [Fung, I.] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. [Lamarque, J. -F.] NOAA, Div Chem Sci, Earth Syst Res Lab, Boulder, CO 80305 USA. [Feddema, J. J.] Natl Ctr Atmospher Res, Div Atmospher Chem, Boulder, CO 80307 USA. [Feddema, J. J.] Univ Kansas, Dept Geog, Lawrence, KS 66045 USA. RP Thornton, PE (reprint author), Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA. EM thorntonpe@ornl.gov RI Thornton, Peter/B-9145-2012; Doney, Scott/F-9247-2010; Feddema, Johannes/J-4400-2012; Mahowald, Natalie/D-8388-2013; Lamarque, Jean-Francois/L-2313-2014 OI Thornton, Peter/0000-0002-4759-5158; Doney, Scott/0000-0002-3683-2437; Feddema, Johannes/0000-0002-0800-0908; Mahowald, Natalie/0000-0002-2873-997X; Lamarque, Jean-Francois/0000-0002-4225-5074 FU NASA [W19,953]; National Center for Atmospheric Research (NCAR); US Department of Energy, Office of Science, Office of Biological and Environmental Research; National Science Foundation, Atmospheric Sciences Division, through the Carbon and Water Initiative; National Science Foundation FX We thank G. Bonan, D. Schimel, and E. Holland for helpful discussions throughout this effort. We also thank V. Arora, C. Jones, and two anonymous reviewers for their constructive comments on the manuscript. This work was supported in part by NASA Earth Science Enterprise, Terrestrial Ecology Program, grant # W19,953 to P. E. Thornton. Support was provided by the National Center for Atmospheric Research (NCAR) through the NCAR Community Climate System Modeling program, and through the NCAR Biogeosciences program. Additional support was provided by the US Department of Energy, Office of Science, Office of Biological and Environmental Research. I. Fung, S. Doney, N. Mahowald, and J. Randerson acknowledge support from National Science Foundation, Atmospheric Sciences Division, through the Carbon and Water Initiative. NCAR is sponsored by the National Science Foundation. NR 68 TC 230 Z9 233 U1 10 U2 120 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1726-4170 EI 1726-4189 J9 BIOGEOSCIENCES JI Biogeosciences PY 2009 VL 6 IS 10 BP 2099 EP 2120 PG 22 WC Ecology; Geosciences, Multidisciplinary SC Environmental Sciences & Ecology; Geology GA 513WN UT WOS:000271354900010 ER PT J AU Xiao, Z Dunn, E Singh, K Khan, IS Yannone, SM Cowan, MJ AF Xiao, Zheng Dunn, Elizabeth Singh, Kanal Khan, Imran S. Yannone, Steven M. Cowan, Morton J. TI A Non-Leaky Artemis-Deficient Mouse That Accurately Models the Human Severe Combined Immune Deficiency Phenotype, Including Resistance to Hematopoietic Stem Cell Transplantation SO BIOLOGY OF BLOOD AND MARROW TRANSPLANTATION LA English DT Article DE Severe combined immune deficiency; Hematopoietic stem cell transplantation; Knockout mouse; Artemis deficiency; Athabascan ID SEVERE COMBINED IMMUNODEFICIENCY; BONE-MARROW-TRANSPLANTATION; SPEAKING NATIVE-AMERICANS; STRAND BREAK REPAIR; V(D)J RECOMBINATION; CATALYTIC SUBUNIT; TARGETED DISRUPTION; CHROMOSOME 10P; RAG PROTEINS; GENE AB Two Artemis-deficient (mArt(-/-)) mouse models, generated independently on 129/SvJ backgrounds, have the expected TB(-)NK(+) severe combined immune deficiency (SCID) phenotype but fail to mimic the human disease because of CD4(+) T cell leakiness. Moreover, immune reconstitution after hematopoietic stem cell transplantation is achieved more readily in these leaky mouse models than in Artemis-deficient humans. To develop a more clinically relevant animal model, we backcrossed the mArt(-/-) mutation onto the C57B1/ 6 (B6) background (99.9%), which resulted in virtually no CD4(+) T cell leakiness compared with 129/SvJ mArt(+/-) mice (0.3% +/- 0.25% vs 19.5% +/- 15.1%, P < .001). The nonleaky mouse also was uniquely resistant to engraftment using allogeneic mismatched hematopoietic stem cells, comparable to what is seen in human Artemis deficiency. The genetic background also influenced Artemis-associated radiation sensitivity, with differing degrees of x-ray hypersensitivity evident in 129/SvJ and B6 backgrounds with both the mArt-/- and mArt(+/-) genotypes. Our results indicate that immunogenic and DNA repair phenotypes associated with Artemis deficiency are significantly altered by genetic background, which has important implications for the diagnosis and treatment of SCID. Moreover, the B6 mArt(-/-) mouse provides a more accurate model for the human disease and a more appropriate system for studying human Artemis deficiency and for developing improved transplantation and gene therapy regimens for the treatment of children with SCID. C1 [Xiao, Zheng; Dunn, Elizabeth; Singh, Kanal; Cowan, Morton J.] Univ Calif San Francisco, Childrens Hosp, Blood & Marrow Transplant Div, Dept Pediat, San Francisco, CA 94143 USA. [Khan, Imran S.; Yannone, Steven M.] Univ Calif Berkeley, Lawrence Berkeley Lab, Dept Mol Biol, Div Life Sci, Berkeley, CA 94720 USA. RP Cowan, MJ (reprint author), Univ Calif San Francisco, Childrens Hosp, Blood & Marrow Transplant Div, Dept Pediat, Room M659,505 Parnassus Ave, San Francisco, CA 94143 USA. EM mcowan@peds.ucsf.edu RI Yannone, Steven/G-1927-2011; OI Khan, Imran/0000-0003-4570-4143 FU National Institutes of Health [5 R01 HL058842-07, MOD 6-FY05-84]; Lawrence Berkeley National Laboratory; US Department of Energy Office of Science [DE-AC02-05CH11231]; US National Institutes of Health [CA104660] FX This work, was supported by National Institutes of Health Grants 5 R01 HL058842-07 and MOD 6-FY05-84. The work at Lawrence Berkeley National Laboratory was supported by US Department of Energy Office of Science Contract DE-AC02-05CH11231 and US National Institutes of Health Grant CA104660 (both to S.M.Y.). We thank Randa Ibeid, Jerry Chen, Jennifer Sasaki, and Shirley Lee for their valuable technical Support and Dr Lee Ann Baxter-Lowe, Liang Peng, and Charlyn Dames for their assistance with the immunoscope analysis. The first 2 authors contributed equally to the work reported in this article. Z.X. performed transplant experiments, anallzed and interpreted data, and drafted the manuscript; E.D. performed leaky mouse experiments, analyzed data, and helped draft the manuscript; K.S. performed ELISA and helped draft the manuscript; I.K. performed the radiation sensitivity assay; S.Y. analyzed, interpreted, and discussed data and helped draft the manuscript; M.C. designed research, analyzed and interpreted data, and drafted the manuscript. The authors declare no competing financial interests. NR 26 TC 15 Z9 15 U1 0 U2 1 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 1083-8791 J9 BIOL BLOOD MARROW TR JI Biol. Blood Marrow Transplant. PD JAN PY 2009 VL 15 IS 1 BP 1 EP 11 DI 10.1016/j.bbmt.2008.10.026 PG 11 WC Hematology; Immunology; Transplantation SC Hematology; Immunology; Transplantation GA 400NJ UT WOS:000262874700001 PM 19135937 ER PT B AU Frischknecht, AL Frink, LJD AF Frischknecht, Amalie L. Frink, Laura J. D. BE Faller, R Jue, T Longo, ML Risbud, SH TI MOLECULAR THEORY APPLIED TO LIPID BILAYERS AND LIPID-PROTEIN INTERACTIONS SO BIOMEMBRANE FRONTIERS: NANOSTRUCTURES, MODELS AND THE DESIGN OF LIFE, VOL 2 SE Handbook of Modern Biophysics LA English DT Proceedings Paper CT Workshop on Biomembrane Frontiers - Nanostructures, Models and the Design of Life CY MAR 20-21, 2008 CL Univ Calif, Davis, Davis, CA HO Univ Calif, Davis ID DENSITY-FUNCTIONAL THEORY; NONUNIFORM POLYATOMIC SYSTEMS; INTRINSIC MEMBRANE-PROTEINS; LATERAL PRESSURE PROFILE; INTEGRAL-EQUATION THEORY; COARSE-GRAINED MODEL; ANTIMICROBIAL PEPTIDES; SURFACE-TENSION; POLYMER MELTS; DIMENSIONAL CROSSOVER C1 [Frischknecht, Amalie L.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Frischknecht, AL (reprint author), Sandia Natl Labs, POB 5800,MS 1411, Albuquerque, NM 87185 USA. EM alfrisc@sandia.gov RI Frischknecht, Amalie/N-1020-2014 OI Frischknecht, Amalie/0000-0003-2112-2587 NR 107 TC 3 Z9 3 U1 0 U2 2 PU HUMANA PRESS INC PI TOTOWA PA 999 RIVERVIEW DR, STE 208, TOTOWA, NJ 07512-1165 USA BN 978-1-60761-313-8 J9 HANDB MOD BIOPHYS JI Handb Mod. Biophys. PY 2009 VL 2 BP 1 EP 39 DI 10.1007/978-1-60761-314-5_1 PG 39 WC Biophysics SC Biophysics GA BMV05 UT WOS:000273630400002 ER PT J AU Dohm, MT Seurynck-Servoss, SL Seo, J Zuckermann, RN Barron, AE AF Dohm, Michelle T. Seurynck-Servoss, Shannon L. Seo, Jiwon Zuckermann, Ronald N. Barron, Annelise E. TI Close Mimicry of Lung Surfactant Protein B by "Clicked" Dimers of Helical, Cationic Peptoids SO BIOPOLYMERS LA English DT Article DE lung surfactant; surfactant protein B; SP-B; click chemistry; peptoid; dimer; lipid monolayer; pulsating bubble surfactometry; protein-lipid interactions ID RESPIRATORY-DISTRESS-SYNDROME; CHIRAL SIDE-CHAINS; N-TERMINAL SEGMENT; PULMONARY SURFACTANT; SECONDARY STRUCTURE; AMINO-ACID; DETERGENT MICELLES; SYNTHETIC PEPTIDES; CHEMISTRY; ANALOGS AB A family of peptoid dimers developed to mimic SP-B is presented, where two amphipathic, cationic helices are linked by an achiral octameric chain. SP-B is a vital therapeutic protein in lung surfactant replacement therapy, but its large-scale isolation or chemical synthesis is impractical. Enhanced biomimicry of SP-B's disulfide-bonded structure has been previously attempted via disulfide-mediated dimerization of SP-B,2, and other peptide mimics, which improved surface activity relative to the monomers. Herein, the effects of disulfide- or "click"-mediated (1,3-dipolar cycloaddition) dimerization, as well as linker chemistry, oil the lipid-associated surfactant activity of a peptoid monomer are described. Results revealed that the 'clicked' peptoid dimer enhanced in vitro surface activity in a DPPC:POPG:PA lipid film relative to its disulfide-bonded and monomeric counterparts in both surface balance and pulsating bubble surfactometry studies. On the pulsating bubble surfactometer, the film containing the "clicked" peptoid dimer outperformed all presented peptoid monomers and dimers, and two SP-B derived peptides, attaining an adsorbed surface tension of 22 mN m(-1), and maximum and minimum cycling values of 42 mN m(-1) and near-zero, respectively. (C) 2009 Wiley Periodicals, Inc. Biopolymers (Pept Sci) 92: 538-553, 2009. C1 [Seurynck-Servoss, Shannon L.; Barron, Annelise E.] Northwestern Univ, Dept Chem & Biol Engn, Evanston, IL 60208 USA. [Dohm, Michelle T.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. [Seo, Jiwon; Barron, Annelise E.] Stanford Univ, Dept Bioengn, Stanford, CA 94305 USA. [Zuckermann, Ronald N.] Univ Calif Berkeley, Lawrence Berkeley Lab, Biol Nanostruct Facil, Berkeley, CA 94720 USA. RP Barron, AE (reprint author), Northwestern Univ, Dept Chem & Biol Engn, 2145 N Sheridan Rd, Evanston, IL 60208 USA. EM aebarron@stanford.edu RI Barron, Annelise/B-7639-2009; Zuckermann, Ronald/A-7606-2014; OI Zuckermann, Ronald/0000-0002-3055-8860; Dohm, Michelle/0000-0002-4961-501X FU U.S. National Institutes of Health [2 R01 HL67984]; U.S. National Science Foundation [BES-0101195]; Collaborative Research in Chemistry [CHE-0404704]; U.S. Department of Energy [DE-AC02-05CH11231] FX Contract grant number: DE-AC02-05CH11231 NR 67 TC 12 Z9 13 U1 2 U2 17 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0006-3525 J9 BIOPOLYMERS JI Biopolymers PY 2009 VL 92 IS 6 BP 538 EP 553 DI 10.1002/bip.21309 PG 16 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA 527KC UT WOS:000272364900008 PM 19777571 ER PT J AU Viamajala, S McMillan, JD Schell, DJ Elander, RT AF Viamajala, Sridhar McMillan, James D. Schell, Daniel J. Elander, Richard T. TI Rheology of corn stover slurries at high solids concentrations - Effects of saccharification and particle size SO BIORESOURCE TECHNOLOGY LA English DT Article DE Rheology; Biomass slurries; Pretreatment; High solids; Particle slurries ID LIGNOCELLULOSIC MATERIALS; ACID PRETREATMENT; FIBER SUSPENSIONS; DISTILLERS GRAIN; FLOW PROPERTIES; WATER; FERMENTATION; BEHAVIOR; HYDROLYSIS; FLUIDS AB The theological characteristics of untreated and dilute acid pretreated corn stover (CS) Slurries at high solids concentrations were studied under continuous shear using plate-plate type measurements. Slurry theological behavior was examined as a function of insoluble solids concentration (10-40%), extent of pretreatment (0-75% removal of xylan) and particle size (-20 and -80 mesh). Results show that CS slurries exhibit shear-thinning behavior describable using a Casson model. Further, results demonstrate that the apparent viscosity and yield stress increase with increasing solids concentration (which corresponds to a decrease in free water). Dilute acid pretreatment leads to lower viscosity and yield stresses at equivalent solids concentrations, as does smaller particle size. Taken together, these findings are consistent with the hypothesis that the availability of free water in the slurry plays a significant role in determining its theological behavior. In particular, as the free water content of the slurry decreases, e.g., with increasing solids concentration, the greater interaction among particles likely increases the apparent viscosity and yield stress properties of the slurry. The results also suggest that the availability of free water, and thereby Slurry theological properties, depend on the chemical composition of the corn stover as well as its physical characteristics such as particle size and porosity. Hydrophilic polymers within the cell wall, such as xylan or pectin, or larger pores within bigger particles, facilitate sequestration of water in the solid phase resulting in decreased availability of free water. Thus, dilute acid pretreated slurries, which contain smaller size particles having significantly lower xylan content than slurries Of untreated milled stover, exhibit Much lower viscosities and yield stresses than untreated slurries containing large particles at similar solid concentrations. (C) 2008 Elsevier Ltd. All rights reserved, C1 [Viamajala, Sridhar] Utah State Univ, Dept Biol & Irrigat Engn, Logan, UT 84322 USA. [McMillan, James D.; Schell, Daniel J.; Elander, Richard T.] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA. RP Viamajala, S (reprint author), Utah State Univ, Dept Biol & Irrigat Engn, 4105 Old Main Hill, Logan, UT 84322 USA. EM sviamajala@cc.usu.edu FU US Department of Energy (DOE) FX This work was performed at the National Renewable Energy Laboratory and funded by the US Department of Energy (DOE) Office of the Biomass Program. NR 35 TC 76 Z9 79 U1 10 U2 61 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0960-8524 EI 1873-2976 J9 BIORESOURCE TECHNOL JI Bioresour. Technol. PD JAN PY 2009 VL 100 IS 2 BP 925 EP 934 DI 10.1016/j.biortech.2008.06.070 PG 10 WC Agricultural Engineering; Biotechnology & Applied Microbiology; Energy & Fuels SC Agriculture; Biotechnology & Applied Microbiology; Energy & Fuels GA 374YX UT WOS:000261080700063 PM 18760597 ER PT S AU Gomez, AL Fruetel, JA Bambha, RP AF Gomez, Anthony L. Fruetel, Julia A. Bambha, Ray P. BE Razeghi, M Mohseni, H TI High sensitivity near-IR absorption measurements of nanoliter samples in a cavity enhanced fiber sensor SO BIOSENSING II SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Biosensing II CY AUG 04-06, 2009 CL San Diego, CA SP SPIE DE cavity enhanced absorption spectroscopy; near-IR; biosensor; particle detector; fiber optic; nanoliter ID RING-DOWN SPECTROSCOPY; INDEX MULTIMODE FIBER; SINGLE-MODE FIBER; LAUNCH TECHNIQUE; BANDWIDTH AB A compact fiber optic sensor is described using Incoherent Broad-Band Cavity Enhanced Absorption Spectroscopy for sensitive detection of nanoliter samples of aqueous chemicals and microorganisms in capillaries. Absorption was measured in a 70 mu m gap, comparable to the inside diameter of a capillary used for electrophoresis, between the ends of two short segments of multimode fiber. The other ends of the fibers were optically contacted to dielectric mirrors to form an 11-cm cavity resonator. Light from a superluminescent diode (lambda = 1054 nm, BW = 35 nm FWHM) was coupled into one end of the cavity, and transmission through the cavity was measured using a silicon photodiode. Dilute aqueous solutions of near infrared dye were used to determine the minimum detectable absorption change of 4x10(-6) for 10 second integration and unity signal-to-noise ratio, which is approximately two orders of magnitude more sensitive than previously published results for systems with comparable sample path lengths. C1 [Gomez, Anthony L.; Fruetel, Julia A.; Bambha, Ray P.] Sandia Natl Labs, Livermore, CA 94551 USA. RP Gomez, AL (reprint author), Sandia Natl Labs, POB 969,MS 9056, Livermore, CA 94551 USA. EM rpbambha@sandia.gov NR 18 TC 2 Z9 2 U1 0 U2 1 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-7687-6 J9 PROC SPIE PY 2009 VL 7397 AR 739706 DI 10.1117/12.826622 PG 8 WC Biotechnology & Applied Microbiology; Engineering, Biomedical; Optics; Physics, Applied SC Biotechnology & Applied Microbiology; Engineering; Optics; Physics GA BVQ85 UT WOS:000292381700006 ER PT J AU Lubertozzi, D Keasling, JD AF Lubertozzi, David Keasling, Jay D. TI Developing Aspergillus as a host for heterologous expression SO BIOTECHNOLOGY ADVANCES LA English DT Review DE Aspergillus; Heterologous; Expression; Secondary metabolites ID CARBON CATABOLITE REPRESSION; BIOSYNTHETIC GENE-CLUSTER; AGROBACTERIUM-MEDIATED TRANSFORMATION; N-ACETYLGLUCOSAMINYLTRANSFERASE-I; INTERGENERIC PROTOPLAST FUSION; DELTA-6-FATTY ACID DESATURASE; INTEGRASE INHIBITORY-ACTIVITY; TISSUE-PLASMINOGEN-ACTIVATOR; METABOLIC FLUX DISTRIBUTIONS; UNFOLDED-PROTEIN RESPONSE AB Filamentous fungi have long been used for production of a range of valuable products; with the advent of molecular biology, it became apparent that these fungi possess considerable potential as expression hosts for the production of heterologous proteins and small molecules. Aspergillus is an important genus, including well known species of economically significant molds, and widely used for basic genetic research. The development of a genetic engineering "toolkit" for Aspergillus, such as those existing for the simpler yeasts and bacteria. was delayed due to the added complexity of the filamentous fungi, and also to the lesser resources devoted to their study. History of the development of Aspergillus as an expression host, current state of the art and future directions are reviewed, touching on related research in other fungi when discussing the areas of greatest potential for future biotechnological applications, focusing on the large and diverse families of fungal secondary metabolites. (C) 2008 Elsevier Inc. All rights reserved. C1 [Keasling, Jay D.] Univ Calif Berkeley, Berkeley Ctr Synthet Biol, Dept Chem Engn, Berkeley, CA 94720 USA. [Keasling, Jay D.] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. [Keasling, Jay D.] Univ Calif Berkeley, Lawrence Berkeley Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Keasling, JD (reprint author), Univ Calif Berkeley, Berkeley Ctr Synthet Biol, Dept Chem Engn, 717 Potter St,Bldg 977,Mail Code 3224, Berkeley, CA 94720 USA. EM keasling@berkeley.edu RI Keasling, Jay/J-9162-2012 OI Keasling, Jay/0000-0003-4170-6088 NR 491 TC 103 Z9 114 U1 6 U2 51 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0734-9750 EI 1873-1899 J9 BIOTECHNOL ADV JI Biotechnol. Adv. PD JAN-FEB PY 2009 VL 27 IS 1 BP 53 EP 75 DI 10.1016/j.biotechadv.2008.09.001 PG 23 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA 396MO UT WOS:000262596000005 PM 18840517 ER PT J AU Kosourov, SN Seibert, M AF Kosourov, Sergey N. Seibert, Michael TI Hydrogen Photoproduction by Nutrient-Deprived Chlamydomonas reinhardtii Cells Immobilized Within Thin Alginate Films Under Aerobic and Anaerobic Conditions SO BIOTECHNOLOGY AND BIOENGINEERING LA English DT Article DE hydrogen photoproduction; green algae; alginate; immobilization; oxygen resistance; hydrogenase ID PYRUVATE FORMATE-LYASE; GREEN-ALGA; H-2 PRODUCTION; RHODOPSEUDOMONAS-PALUSTRIS; BIOCATALYTIC COATINGS; METABOLIC PATHWAYS; WASTE-WATER; OXYGEN; CULTURES; EXPRESSION AB A new technique for immobilizing H(2)-photoproducing green algae within a thin (<400 mu m) alginate film has been developed. Alginate films with entrapped sulfur/phosphorus-deprived Chlamydomonas reinhardtii, strain cc124, cells demonstrate (a) higher cell density (up to 2,000 mu g Chl mL(-1) of matrix), (b) kinetics of H(2) photoproduction similar to sulfur-deprived suspension cultures, (c) higher specific rates (up to 12.5 mu mol mg(-1) Chl h(-1)) of H(2) evolution, (d) light conversion efficiencies to H(2) of over 1% and (e) unexpectedly high resistance of the H(2)-photoproducing system to inactivation by atmospheric O(2). The algal cells, entrapped in alginate and then placed in vials containing 21% O(2) in the headspace, evolved up to 67% of the H(2) gas produced under anaerobic conditions. The results indicate that the lower susceptibility of the immobilized algal H(2)-producing system to inactivation by O(2) depends on two factors: (a) the presence of acetate in the medium, which supports higher rates of respiration and (b) the capability of the alginate polymer itself to effectively separate the entrapped cells from O(2) ill the liquid and headspace and restrict O(2) diffusion into the matrix. The strategy presented for immobilizing algal cells within thin polymeric matrices shows the potential for scale-up and possible future applications. Biotechnol. Bioeng. 2009;102: 50-58. (C) 2008 Wiley Periodicals, Inc. C1 [Kosourov, Sergey N.; Seibert, Michael] Natl Renewable Energy Lab, Chem & Biosci Ctr, Golden, CO 80401 USA. RP Seibert, M (reprint author), Natl Renewable Energy Lab, Chem & Biosci Ctr, 1617 Cole Blvd, Golden, CO 80401 USA. EM mike_seibert@nrel.gov RI Kosourov, Sergey/C-6682-2009; Kosourov, Sergey/A-1659-2016 OI Kosourov, Sergey/0000-0003-4025-8041; Kosourov, Sergey/0000-0003-4025-8041 FU Air Force Office of Scientific Research; NREL LDRD program FX The authors Would like to thank Dr. Maria Ghirardi, Dr. Anatoly Tsygankov, and Dr. Michael Flickenger for their Support and helpful discussions during the course of this study. This work was sponsored by the Air Force Office of Scientific Research (S.N.K. and M.S.) and the NREL LDRD program (M.S.). NR 47 TC 63 Z9 64 U1 4 U2 25 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0006-3592 J9 BIOTECHNOL BIOENG JI Biotechnol. Bioeng. PD JAN 1 PY 2009 VL 102 IS 1 BP 50 EP 58 DI 10.1002/bit.22050 PG 9 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA 385PL UT WOS:000261826000007 PM 18823051 ER PT J AU Liu, Z Bartlow, P Dilmore, RM Soong, Y Pan, ZW Koepsel, R Ataai, M AF Liu, Zhu Bartlow, Patrick Dilmore, Robert M. Soong, Yee Pan, Zhiwei Koepsel, Richard Ataai, Mohammad TI Production, Purification, and Characterization of a Fusion Protein of Carbonic Anhydrase from Neisseria gonorrhoeae and Cellulose Binding Domain from Clostridium thermocellum SO BIOTECHNOLOGY PROGRESS LA English DT Article DE carbon dioxide hydration; carbonic anhydrase; cellulose binding domain ID ESCHERICHIA-COLI; RECOMBINANT PROTEINS; SCAFFOLDING PROTEIN; CRYSTAL-STRUCTURE; EXPRESSION; AFFINITY; MODULES AB Carbon dioxide capture technologies have the potential to become an important climate change mitigation option through sequestration of gaseous CO, A new concept for CO2 capture involves use of immobilized carbonic anhydrase (CA) that catalyzes the reversible hydration of CO2 to HCO3- and H+. Cost-efficient production of the enzyme and an inexpensive immobilization system are critical for development of economically feasible CA-based CO2 capture processes. An artificial, bifunctional enzyme containing CA from Neisseria gonorrhoeae and a cellulose binding domain (CBD) from Clostridium thermocellum was constructed with a His(6) tag. The chimeric enzyme exhibited both CA activity and CBD binding affinity. This fusion enzyme is of particular interest due to its binding affinity for cellulose and retained CA activity, which could serve as the basis for improved technology to capture CO2 from flue gasses. (C) 2008 American Institute of Chemical Engineers Biotechnol. Prog., 25: 68-74, 2009 C1 [Liu, Zhu; Pan, Zhiwei; Koepsel, Richard; Ataai, Mohammad] Univ Pittsburgh, Dept Chem Engn, Pittsburgh, PA 15219 USA. [Bartlow, Patrick; Ataai, Mohammad] Univ Pittsburgh, Dept Bioengn, Pittsburgh, PA 15219 USA. [Dilmore, Robert M.; Soong, Yee] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. RP Ataai, M (reprint author), Univ Pittsburgh, Dept Chem Engn, Pittsburgh, PA 15219 USA. EM ataai@engr.pitt.edu OI Koepsel, Richard/0000-0002-6780-4914 FU DOE; National Energy Technology Laboratory FX This research was supported in part by DOE, National Energy Technology Laboratory. Thank you to Dr. Joel Kaar for outstanding technical assistance. NR 42 TC 11 Z9 11 U1 1 U2 6 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 8756-7938 EI 1520-6033 J9 BIOTECHNOL PROGR JI Biotechnol. Prog. PD JAN-FEB PY 2009 VL 25 IS 1 BP 68 EP 74 DI 10.1021/bp.80 PG 7 WC Biotechnology & Applied Microbiology; Food Science & Technology SC Biotechnology & Applied Microbiology; Food Science & Technology GA 413EY UT WOS:000263776900009 PM 19224556 ER PT J AU Carter, M Zhu, F Kotanko, P Kuhlmann, M Ramirez, L Heymsfield, SB Handelman, G Levin, NW AF Carter, M. Zhu, F. Kotanko, P. Kuhlmann, M. Ramirez, L. Heymsfield, S. B. Handelman, G. Levin, N. W. TI Assessment of Body Composition in Dialysis Patients by Arm Bioimpedance Compared to MRI and K-40 Measurements SO BLOOD PURIFICATION LA English DT Article DE Segmental bioimpedance; Magnetic resonance imaging; Skeletal muscle mass; Subcutaneous adipose tissue ID BIOELECTRICAL-IMPEDANCE ANALYSIS; CHRONIC KIDNEY-DISEASE; HEMODIALYSIS-PATIENTS; ADIPOSE-TISSUE; MUSCLE MASS; PERITONEAL-DIALYSIS; CELL MASS; VOLUME; SPECTROSCOPY; POTASSIUM AB This study used multi-frequency bioimpedance spectroscopy (BIS) of the arm and whole body to estimate muscle mass (MM) and subcutaneous adipose tissue (SAT) in 31 hemodialysis (HD) patients comparing these results with magnetic resonance imaging (MRI) and body potassium (K-40) as gold standards. Total body and arm MM (MMMRI) and SAT (SAT(MRI)) were measured by MRI. All measurements were made before dialysis treatment. Regression models with the arm (aBIS) and whole body (wBIS) resistances were established. Correlations between gold standards and the BIS model were high for the arm SAT (r(2) = 0.93, standard error of estimate (SEE) = 3.6 kg), and whole body SAT (r(2) = 0.92, SEE = 3.5 kg), and for arm MM (r(2) = 0.84, SEE = 2.28 kg) and whole body MM (r(2) = 0.86, SEE = 2.28 kg). Total body MM and SAT can be accurately predicted by arm BIS models with advantages of convenience and portability, and it should be useful to assess nutritional status in HD patients. Copyright (C) 2009 S. Karger AG, Basel C1 [Zhu, F.] Yorkville Dialysis Ctr, Renal Res Inst, New York, NY 10128 USA. [Ramirez, L.] Brookhaven Natl Lab, New York, NY USA. [Heymsfield, S. B.] St Lukes Roosevelt Hosp, New York, NY USA. RP Zhu, F (reprint author), Yorkville Dialysis Ctr, Renal Res Inst, 1555 3rd Ave 218, New York, NY 10128 USA. EM fzhu@rriny.com FU NIDDK NIH HHS [P30 DK026687-279012, P01 DK042618-14S1] NR 30 TC 5 Z9 6 U1 1 U2 5 PU KARGER PI BASEL PA ALLSCHWILERSTRASSE 10, CH-4009 BASEL, SWITZERLAND SN 0253-5068 J9 BLOOD PURIFICAT JI Blood Purif. PY 2009 VL 27 IS 4 BP 330 EP 337 DI 10.1159/000207200 PG 8 WC Hematology; Urology & Nephrology SC Hematology; Urology & Nephrology GA 432HE UT WOS:000265123300003 PM 19270452 ER PT J AU Xu, ZY Zhang, DD Hu, J Zhou, X Ye, X Reichel, KL Stewart, NR Syrenne, RD Yang, XH Gao, P Shi, WB Doeppke, C Sykes, RW Burris, JN Bozell, JJ Cheng, ZM Hayes, DG Labbe, N Davis, M Stewart, CN Yuan, JS AF Xu, Zhanyou Zhang, Dandan Hu, Jun Zhou, Xin Ye, Xia Reichel, Kristen L. Stewart, Nathan R. Syrenne, Ryan D. Yang, Xiaohan Gao, Peng Shi, Weibing Doeppke, Crissa Sykes, Robert W. Burris, Jason N. Bozell, Joseph J. Cheng, (Max) Zong-Ming Hayes, Douglas G. Labbe, Nicole Davis, Mark Stewart, C. Neal, Jr. Yuan, Joshua S. TI Comparative genome analysis of lignin biosynthesis gene families across the plant kingdom SO BMC BIOINFORMATICS LA English DT Article; Proceedings Paper CT 6th Annual Conference of the MidSouth-Computational-Biology-and-Bioinformatics-Society CY FEB 20-21, 2009 CL Mississippi State Univ, Starkville, MS SP MidSouth Computat Biol & Bioinformat Soc HO Mississippi State Univ ID CINNAMYL-ALCOHOL-DEHYDROGENASE; DOWN-REGULATION; ARABIDOPSIS-THALIANA; SYSTEMS BIOLOGY; GREEN PLANTS; CELL-WALLS; EVOLUTION; RICE; LIGNIFICATION; DIVERGENCE AB Background: As a major component of plant cell wall, lignin plays important roles in mechanical support, water transport, and stress responses. As the main cause for the recalcitrance of plant cell wall, lignin modification has been a major task for bioenergy feedstock improvement. The study of the evolution and function of lignin biosynthesis genes thus has two-fold implications. First, the lignin biosynthesis pathway provides an excellent model to study the coordinative evolution of a biochemical pathway in plants. Second, understanding the function and evolution of lignin biosynthesis genes will guide us to develop better strategies for bioenergy feedstock improvement. Results: We analyzed lignin biosynthesis genes from fourteen plant species and one symbiotic fungal species. Comprehensive comparative genome analysis was carried out to study the distribution, relatedness, and family expansion of the lignin biosynthesis genes across the plant kingdom. In addition, we also analyzed the comparative synteny map between rice and sorghum to study the evolution of lignin biosynthesis genes within the Poaceae family and the chromosome evolution between the two species. Comprehensive lignin biosynthesis gene expression analysis was performed in rice, poplar and Arabidopsis. The representative data from rice indicates that different fates of gene duplications exist for lignin biosynthesis genes. In addition, we also carried out the biomass composition analysis of nine Arabidopsis mutants with both MBMS analysis and traditional wet chemistry methods. The results were analyzed together with the genomics analysis. Conclusion: The research revealed that, among the species analyzed, the complete lignin biosynthesis pathway first appeared in moss; the pathway is absent in green algae. The expansion of lignin biosynthesis gene families correlates with substrate diversity. In addition, we found that the expansion of the gene families mostly occurred after the divergence of monocots and dicots, with the exception of the C4H gene family. Gene expression analysis revealed different fates of gene duplications, largely confirming plants are tolerant to gene dosage effects. The rapid expansion of lignin biosynthesis genes indicated that the translation of transgenic lignin modification strategies from model species to bioenergy feedstock might only be successful between the closely relevant species within the same family. C1 [Xu, Zhanyou; Hu, Jun; Syrenne, Ryan D.; Gao, Peng; Shi, Weibing; Yuan, Joshua S.] Texas A&M Univ, Dept Plant Pathol & Microbiol, College Stn, TX 77843 USA. [Xu, Zhanyou; Hu, Jun; Zhou, Xin; Gao, Peng; Shi, Weibing; Yuan, Joshua S.] Texas A&M Univ, Inst Plant Genom & Biotechnol, College Stn, TX USA. [Zhang, Dandan; Hu, Jun; Ye, Xia; Stewart, Nathan R.; Burris, Jason N.; Cheng, (Max) Zong-Ming; Stewart, C. Neal, Jr.] Univ Tennessee, Dept Plant Sci, Knoxville, TN USA. [Reichel, Kristen L.; Doeppke, Crissa; Sykes, Robert W.; Davis, Mark] Natl Renewable Energy Lab, Golden, CO USA. [Yang, Xiaohan] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Bozell, Joseph J.; Hayes, Douglas G.; Labbe, Nicole] Univ Tennessee, Dept Biosyst Engn & Soil Sci, Knoxville, TN USA. RP Yuan, JS (reprint author), Texas A&M Univ, Dept Plant Pathol & Microbiol, College Stn, TX 77843 USA. EM xuzhanyou@tamu.edu; ddzhang81@yahoo.com; jh5@utk.edu; xzhou82@gmail.com; xye5@utk.edu; Kristen.Reichel@nrel.gov; nstewar4@utk.edu; rds2@neo.tamu.edu; yangx@ornl.gov; gaopeng7tm@gmail.com; grayshwb@hotmail.com; Crissa_Doeppke@nrel.gov; Robert.Sykes@nrel.gov; jburris1@utk.edu; jbozell@utk.edu; zcheng@utk.edu; dhayes1@utk.edu; nlabbe@utk.edu; Mark_Davis@nrel.gov; nealstewart@utk.edu; syuan@tamu.edu RI Yang, Xiaohan/A-6975-2011 OI Yang, Xiaohan/0000-0001-5207-4210 NR 56 TC 76 Z9 81 U1 2 U2 29 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1471-2105 J9 BMC BIOINFORMATICS JI BMC Bioinformatics PY 2009 VL 10 SU 11 AR S3 DI 10.1186/1471-2105-10-S11-S3 PG 15 WC Biochemical Research Methods; Biotechnology & Applied Microbiology; Mathematical & Computational Biology SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Mathematical & Computational Biology GA 509YY UT WOS:000271056400003 PM 19811687 ER PT J AU Kellum, E Starr, H Arounleut, P Immel, D Fulzele, S Wenger, K Hamrick, MW AF Kellum, Ethan Starr, Harlan Arounleut, Phonepasong Immel, David Fulzele, Sadanand Wenger, Karl Hamrick, Mark W. TI Myostatin (GDF-8) deficiency increases fracture callus size, Sox-5 expression, and callus bone volume SO BONE LA English DT Article DE ActRIIB; BMP-2; Activin; Chondrogenesis; Osteogenesis ID MUSCLE MASS; BETA SUPERFAMILY; KNOCKOUT MICE; ACTIVIN-A; CELLS; ADIPOGENESIS; REGENERATION; REPAIR; RAT AB Myostatin (GDF-8) is a negative regulator of skeletal muscle growth and mice lacking myostatin show increased Muscle mass. We have previously shown that myostatin deficiency increases bone strength and biomineralization throughout the skeleton, and others have demonstrated that myostatin is expressed during the earliest phase of fracture repair. In order to determine the role of myostatin in fracture callus morphogenesis, we studied fracture healing in mice lacking myostatin. Adult wild-type mice (+/+), mice heterozygous for the myostatin mutation (+/-), and mice homozygous for the disrupted myostatin sequence (-/-) were included for study at two and four weeks following osteotomy of the fibula. Expression of Sox-5 and BMP-2 were significantly upregulated in the fracture callus of myostatin-deficient (-/-) mice compared to wild-type (+/+) mice at two weeks following osteotomy. Fracture callus size was significantly increased in mice lacking myostatin at both two and four weeks following osteotomy, and total osseous tissue area and callus strength in three-point bending were significantly greater in myostatin -/- mice compared to myostatin +/+ mice at four weeks post-osteotomy. Our data suggest that myostatin functions to regulate fracture callus size by inhibiting the recruitment and proliferation of progenitor cells in the fracture blastema. Myostatin deficiency increases blastema size during the early inflammatory phase of fracture repair, ultimately producing an ossified callus having greater bone volume and greater callus strength. While myostatin is most well known for its effects on muscle development, it is also clear that myostatin plays a significant, direct role in bone formation and regeneration. (C) 2008 Elsevier Inc. All rights reserved. C1 [Starr, Harlan; Arounleut, Phonepasong; Fulzele, Sadanand; Wenger, Karl; Hamrick, Mark W.] Med Coll Georgia, Dept Cellular Biol & Anat, Augusta, GA 30912 USA. [Kellum, Ethan; Hamrick, Mark W.] Med Coll Georgia, Dept Orthopaed Surg, Augusta, GA 30912 USA. [Fulzele, Sadanand; Wenger, Karl; Hamrick, Mark W.] Med Coll Georgia, Inst Mol Med & Genet, Augusta, GA 30912 USA. [Immel, David] Savannah River Natl Lab Aiken, Savannah, SC USA. RP Hamrick, MW (reprint author), Med Coll Georgia, Dept Cellular Biol & Anat, Laney Walker Blvd, Augusta, GA 30912 USA. EM mhamrick@mail.mcg.edu RI Hamrick, Mark/K-1131-2016 FU National Institutes of Health [AR 049717]; Office of Naval Research [N00014-08-1-0197] FX We are grateful to Kelli Agee and Dr. David Pashley for use of the Vitrodyne, and to Sumont Ponnala (Emory University), Stella Patterson (University of Georgia), and the late Cheryl Mims for assistance with data collection. Funding for this research was provided by the National Institutes of Health (AR 049717) and the Office of Naval Research (N00014-08-1-0197). Two anonymous reviewers provided helpful comments that improved the quality of the manuscript. NR 27 TC 38 Z9 41 U1 0 U2 1 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 8756-3282 J9 BONE JI Bone PD JAN PY 2009 VL 44 IS 1 BP 17 EP 23 DI 10.1016/j.bone.2008.08.126 PG 7 WC Endocrinology & Metabolism SC Endocrinology & Metabolism GA 395TV UT WOS:000262547300003 PM 18852073 ER PT B AU Peyruchaud, O Karin, NJ AF Peyruchaud, Olivier Karin, Norman J. BE Bronner, F FarachCarson, MC TI Lysophosphatidic Acid: Role in Bone and Bone Cancer SO BONE AND CANCER LA English DT Article; Book Chapter ID PROTEIN-COUPLED RECEPTOR; SPHINGOSINE 1-PHOSPHATE RECEPTOR; MC3T3-E1 OSTEOBLASTIC CELLS; BREAST-CARCINOMA CELLS; GROWTH-FACTOR; ENDOTHELIAL-CELLS; MOLECULAR-CLONING; SIGNALING PATHWAY; GENE-EXPRESSION; LPA RECEPTORS C1 [Peyruchaud, Olivier] Fac Med Laennec, INSERM, Unit 664, Lyon, France. [Karin, Norman J.] Pacific NW Natl Lab, Dept Biochem & Cell Biol, Richland, WA 99352 USA. RP Peyruchaud, O (reprint author), Fac Med Laennec, INSERM, Unit 664, Lyon, France. NR 133 TC 1 Z9 1 U1 0 U2 1 PU SPRINGER-VERLAG LONDON LTD PI GODALMING PA SWEETAPPLE HOUSE CATTESHALL RD FARNCOMBE, GODALMING GU7 1NH, SURREY, ENGLAND BN 978-1-84882-018-0 PY 2009 BP 73 EP 88 DI 10.1007/978-1-84882-019-7_5 PG 16 WC Oncology; Orthopedics SC Oncology; Orthopedics GA BKX25 UT WOS:000269520000005 ER PT J AU Simian, M Bissell, MJ Barcellos-Hoff, MH Shyamala, G AF Simian, Marina Bissell, Mina J. Barcellos-Hoff, Mary Helen Shyamala, Gopalan TI Estrogen and progesterone receptors have distinct roles in the establishment of the hyperplastic phenotype in PR-A transgenic mice SO BREAST CANCER RESEARCH LA English DT Article ID MAMMARY EPITHELIAL-CELLS; BRANCHING MORPHOGENESIS; BREAST CARCINOGENESIS; BASEMENT-MEMBRANE; GENE-EXPRESSION; CROSS-TALK; GLAND; PROTEINASES; MECHANISMS; TISSUE AB Introduction Expression of the A and B forms of progesterone receptor (PR) in an appropriate ratio is critical for mammary development. Mammary glands of PR-A transgenic mice, carrying an additional A form of PR as a transgene, exhibit morphological features associated with the development of mammary tumors. Our objective was to determine the roles of estrogen (E) and progesterone (P) in the genesis of mammary hyperplasias/preneoplasias in PR-A transgenics. Methods We subjected PR-A mice to hormonal treatments and analyzed mammary glands for the presence of hyperplasias and used BrdU incorporation to measure proliferation. Quantitative image analysis was carried out to compare levels of latency-associated peptide and transforming growth factor beta 1 (TGF beta 1) between PR-A and PR-B transgenics. Basement membrane disruption was examined by immunofluorescence and proteolytic activity by zymography. Results The hyperplastic phenotype of PR-A transgenics is inhibited by ovariectomy, and is reversed by treatment with E + P. Studies using the antiestrogen ICI 182,780 or antiprogestins RU486 or ZK 98,299 show that the increase in proliferation requires signaling through E/estrogen receptor alpha but is not sufficient to give rise to hyperplasias, whereas signaling through P/PR has little impact on proliferation but is essential for the manifestation of hyperplasias. Increased proliferation is correlated with decreased TGF beta 1 activation in the PR-A transgenics. Analysis of basement membrane integrity showed loss of laminin-5, collagen III and collagen IV in mammary glands of PR-A mice, which is restored by ovariectomy. Examination of matrix metalloproteases (MMPs) showed that total levels of MMP-2 correlate with the steady-state levels of PR, and that areas of laminin-5 loss coincide with those of activation of MMP-2 in PR-A transgenics. Activation of MMP-2 is dependent on treatment with E and P in ovariectomized wild-type mice, but is achieved only by treatment with P in PR-A mice. Conclusions These data establish a link between hormonal response, proliferation, modulation of MMP activity and maintenance of basement membrane integrity that depend on a balance in the expression levels of PR-A and PR-B isoforms. Notably, concomitant increased proliferation, due to inhibition of TGF. 1 activation, and loss of basement membrane integrity, via increased MMP-2 activity, appear to be prerequisites for the PR-A hyperplastic phenotype. C1 [Simian, Marina; Bissell, Mina J.; Barcellos-Hoff, Mary Helen] Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. RP Simian, M (reprint author), Inst Oncol Angel H Roffo, Res Area, Avda San Martin 5481,C1417DTB, Buenos Aires, DF, Argentina. EM marina.simian@galuzzi.com FU National Institutes of Health [RO1 AG022413]; US Department of Energy; OBER Office of Biological and Environmental Research [DE-AC02-05CH1123]; Distinguished Fellow Award and Low Dose Radiation Program; Office of Health and Environmental Research, Health Effects Division [03-76SF00098]; National Cancer Institute [5 R01CA064786, R01CA057621, U54CA126552, U54CA112970]; US Department of Defense [W81XWH0810736]; Susan G Komen for the Cure Foundation [BCTR 0600341]; CONICET FX Grant support was received from the National Institutes of Health (National Institute of Aging grant RO1 AG022413) to MHB-H and GS. MJB's laboratory is supported by grants from the US Department of Energy, the OBER Office of Biological and Environmental Research (DE-AC02-05CH1123), a Distinguished Fellow Award and Low Dose Radiation Program, and the Office of Health and Environmental Research, Health Effects Division (03-76SF00098), by National Cancer Institute awards 5 R01CA064786, R01CA057621, U54CA126552 and U54CA112970, and by the US Department of Defense (W81XWH0810736). MS is supported by a Susan G Komen for the Cure Foundation award (BCTR 0600341) and CONICET. NR 35 TC 9 Z9 10 U1 0 U2 0 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1465-5411 J9 BREAST CANCER RES JI Breast Cancer Res. PY 2009 VL 11 IS 5 AR R72 DI 10.1186/bcr2408 PG 11 WC Oncology SC Oncology GA 540OD UT WOS:000273342300017 PM 19788752 ER PT J AU Coffey, B Borgeson, S Selkowitz, S Apte, J Mathew, P Haves, P AF Coffey, Brian Borgeson, Sam Selkowitz, Stephen Apte, Joshua Mathew, Paul Haves, Philip TI Towards a very low-energy building stock: modelling the US commercial building sector to support policy and innovation planning SO BUILDING RESEARCH AND INFORMATION LA English DT Article DE building stock; climate change; efficiency; emissions; energy; low energy; new construction; planning; renovation; retrofit AB The origin, structure and continuing development of a model of time-varying energy consumption in the US commercial building stock is described. The model is based on a flexible structure that disaggregates the stock into various categories (e.g. by building type, climate, vintage and life cycle stage) and with attributes assigned to each of these (e.g. floor area and energy-use intensity by fuel type and end use) based on historical data and user-defined scenarios for future projections. In addition to supporting the interactive exploration of building stock dynamics, the model has been used to study the likely outcomes of specific policy and innovation scenarios targeting very low future energy consumption in the building stock. Model use has highlighted the scale of the challenge of meeting targets stated by various government and professional bodies, and the importance of considering both new construction and existing buildings. C1 [Coffey, Brian; Borgeson, Sam; Selkowitz, Stephen; Apte, Joshua; Mathew, Paul; Haves, Philip] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Coffey, B (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, 1 Cyclotron Rd,MS 90R3111, Berkeley, CA 94720 USA. EM BCoffey@lbl.gov RI Apte, Joshua/K-2570-2014 OI Apte, Joshua/0000-0002-2796-3478 NR 14 TC 10 Z9 10 U1 1 U2 12 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0961-3218 J9 BUILD RES INF JI Build. Res. Informat. PY 2009 VL 37 IS 5-6 BP 610 EP 624 AR PII 914935551 DI 10.1080/09613210903189467 PG 15 WC Construction & Building Technology SC Construction & Building Technology GA 494KQ UT WOS:000269812100012 ER PT S AU Wiringa, RB AF Wiringa, R. B. BE Danielewicz, P TI Recent Developments in Nuclear Quantum Monte Carlo SO BULK NUCLEAR PROPERTIES SE AIP Conference Proceedings LA English DT Proceedings Paper CT 5th Annual ANL/MSU/JINA/INT FRIB Thoery Workshop CY NOV 19-22, 2008 CL Michigan State Univ Natl Superconduct Cyclotron Lab, E Lansing, MI SP Natl Superconduct Cyclot Lab, Argonne Natl Lab, Joint Inst Nucl Astrophys, Inst Nucl Theory HO Michigan State Univ Natl Superconduct Cyclotron Lab DE nuclear quantum Monte Carlo ID LIGHT-NUCLEI; BREAKING AB Quantum Monte Carlo methods are applied to the ab initio calculation of the structure and reactions of light nuclei. C1 Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. RP Wiringa, RB (reprint author), Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. RI Wiringa, Robert/M-4970-2015 NR 18 TC 7 Z9 7 U1 0 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0664-3 J9 AIP CONF PROC PY 2009 VL 1128 BP 1 EP 10 PG 10 WC Astronomy & Astrophysics; Physics, Nuclear SC Astronomy & Astrophysics; Physics GA BKG55 UT WOS:000268027600001 ER PT S AU Klahn, T Roberts, CD Blaschke, DB Sandin, F AF Klaehn, T. Roberts, C. D. Blaschke, D. B. Sandin, F. BE Danielewicz, P TI Neutron Stars and the High Density Equation of State SO BULK NUCLEAR PROPERTIES SE AIP Conference Proceedings LA English DT Proceedings Paper CT 5th Annual ANL/MSU/JINA/INT FRIB Thoery Workshop CY NOV 19-22, 2008 CL Michigan State Univ Natl Superconduct Cyclotron Lab, E Lansing, MI SP Natl Superconduct Cyclot Lab, Argonne Natl Lab, Joint Inst Nucl Astrophys, Inst Nucl Theory HO Michigan State Univ Natl Superconduct Cyclotron Lab DE neutron stars; nuclear matter; quark matter; equation of state; QCD phase transition ID DYSON-SCHWINGER EQUATIONS; X-RAY BINARIES; QUARK MATTER; FINITE-TEMPERATURE; NUCLEON MATTER; QCD; OSCILLATIONS; MODEL; MASS; DECONFINEMENT AB One of the key ingredients to understand the properties of neutrons stars(1) (NS) is the equation of state at finite densities far beyond nuclear saturation. Investigating the phase structure of quark matter that might be realized in the core of NS inspires theory and observation. We discuss recent results of our work to point out our view on challenges and possibilities in this evolving field by means of a few examples. C1 [Klaehn, T.; Roberts, C. D.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. [Blaschke, D. B.] Univ Wroclaw, Inst Theoret Phys, PL-50204 Wroclaw, Poland. [Blaschke, D. B.] JINR Dubna, Bogoliubov Lab Theoret Phys, Dubna 141980, Russia. [Sandin, F.] Univ Liege, Dept AGO, IFPA, B-4000 Sart Tilman Par Liege, Belgium. RP Klahn, T (reprint author), Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. OI Roberts, Craig/0000-0002-2937-1361 FU Department of Energy, Office of Nuclear Physics [DE-AC02-06CH11357]; Polish Ministry for Research and Higher Education [N N 202 0953 33 (DBB)]; CompStar; ESF Research Networking Programme (DBB,FS); Belgian fund for scientific research FNRS (FS) FX We acknowledge useful communications with and the support of E. F. Brown, H. Chen, I.C. Cloet, P. Danielewicz, Y.-X. Liu, M.C. Miller, and R. Rutledge. We are grateful to the organizers of the Fifth ANUINT/MSU/JINA FRIB Theory Workshop. This work was supported by: the Department of Energy, Office of Nuclear Physics, contract no. DE-AC02-06CH11357 (TK,CDR); the Polish Ministry for Research and Higher Education, grant no. N N 202 0953 33 (DBB); CompStar, an ESF Research Networking Programme (DBB,FS); the Belgian fund for scientific research FNRS (FS). NR 62 TC 1 Z9 1 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0664-3 J9 AIP CONF PROC PY 2009 VL 1128 BP 175 EP + PG 4 WC Astronomy & Astrophysics; Physics, Nuclear SC Astronomy & Astrophysics; Physics GA BKG55 UT WOS:000268027600019 ER PT B AU Aragon, CR Poon, SS Monroy-Hernandez, A Aragon, D AF Aragon, Cecilia R. Poon, Sarah S. Monroy-Hernandez, Andres Aragon, Diana GP ACM TI A Tale of Two Online Communities: Fostering Collaboration and Creativity in Scientists and Children SO C & C 09: PROCEEDINGS OF THE 2009 ACM SIGCHI CONFERENCE ON CREATIVITY AND COGNITION LA English DT Proceedings Paper CT ACM SIGCHI Conference on Creativity and Cognition 2009 CY OCT 27-30, 2009 CL Berkeley, CA SP ACM SIGCHI, ACIM SIGMM, ACM SIGART, ACM SIGGRAPH, ACM SIGCAS, ACM SIGSOFT, BIGDOG Interact, Natl Sci Fdn, Ctr Digital Music, Creat & Cognit Studies, Taylor & Francis Grp DE Collective creativity; social creativity; computer-supported cooperative work; computer-mediated communication AB There has been much recent interest in the development of tools to foster remote collaboration and shared creative work. An open question is: what are the guidelines for this process? What are the key socio-technical preconditions required for a geographically distributed group to collaborate effectively on creative work, and are they different from the conditions of a decade or two ago? In an attempt to answer these questions, we conducted empirical studies of two seemingly very different online communities, both requiring effective collaboration and creative work: an international collaboration of astrophysicists studying supernovae to learn more about the expansion rate of the universe, and a group of children, ages 8-15, from different parts of the world, creating and sharing animated stories and video games on the Scratch online community developed at MIT. Both groups produced creative technical work jointly and were considered successful in their communities. Data included the analysis of thousands of lines from chat and comment logs over a period of several months, and interviews with community members. We discovered some surprising commonalities and some intriguing possibilities, and suggest guidelines for successful creative collaborations. Specifically, systems that support social creativity must facilitate sharing and play, and their design must consider the effects of repurposing, augmentation and behavior adaptation. C1 [Aragon, Cecilia R.; Poon, Sarah S.] Lawrence Berkeley Natl Lab, Berkeley, CA USA. EM CRAragon@lbl.gov; SSPoon@lbl.gov; andresmh@media.mit.edu; diana.b.aragon@gmail.com NR 51 TC 6 Z9 6 U1 1 U2 4 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 1515 BROADWAY, NEW YORK, NY 10036-9998 USA BN 978-1-60558-403-4 PY 2009 BP 9 EP 18 PG 10 WC Computer Science, Information Systems; Computer Science, Theory & Methods; Education & Educational Research SC Computer Science; Education & Educational Research GA BQL39 UT WOS:000281245100005 ER PT B AU Xu, T AF Xu, T. BE Wang, YX TI Validation of reactive transport models for CO(2) geological sequestration SO CALIBRATION AND RELIABILITY IN GROUNDWATER MODELING: MANAGING GROUNDWATER AND THE ENVIRONMENT LA English DT Proceedings Paper CT 7th International Conference on Calibration and Reliability in Groundwater Modeling CY SEP 20-23, 2009 CL Wuhan, PEOPLES R CHINA SP China Univ Geosci, China Geol Survey, Xian Ctr Geol Survey, Natl Nat Sci Fdn China, Int Res Ctr Karst, Int Commiss Groundwater ID CARBON-DIOXIDE; SANDSTONE; SIMULATION; INJECTION AB A reduction in the release rate of carbon dioxide (CO(2)) to the atmosphere is considered as an essential first step in the control of global warming. One way of achieving this is to inject CO(2) into structural reservoirs in deep permeable geologic formations. Carbon dioxide is retained in geologic formations in three ways. First, CO(2) can be trapped as a gas or supercritical fluid under a low-permeability caprock. This process, commonly referred to as hydrodynamic trapping, will be, in the short term, the most important method of retention. Second, CO(2) can dissolve into the groundwater, a process referred to as a solubility trapping. Third, CO(2) can react directly or indirectly with minerals in the geologic formation leading to the precipitation of secondary carbonate minerals. This so-called 'mineral trapping', is potentially attractive because it could immobilize CO(2) for very long periods of time. Numerical modeling of hydrogeochemical processes is necessary to investigate long-term CO(2) injection in deep saline aquifers, because aluminosilicate mineral alteration is very slow under ambient deep-aquifer conditions and is not amenable to experimental study. Reactive transport modeling can solve many problems and answer questions related to CO(2) geological sequestration, including fate and transport of injected CO(2), storage security or caprock integrate, and impact of potential leakage on the groundwater quality. Validation of reactive transport models could be different from conventional model validation methods for groundwater flow and solute transport. Issues on model validations are important if CO(2) injection technology is to be implemented safely, efficiently, and predictably. In this paper I will discuss ways to validate reactive transport models for long-term CO2 geological sequestration. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Xu, T (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. NR 10 TC 0 Z9 0 U1 0 U2 1 PU CHINA UNIV GEOSCIENCES PRESS PI WUHAN PA 388 LUMO ROAD, WUHAN, HUBEI 430074, PEOPLES R CHINA BN 978-7-5625-2417-5 PY 2009 BP 469 EP 471 PG 3 WC Geosciences, Multidisciplinary; Water Resources SC Geology; Water Resources GA BRB18 UT WOS:000282291900115 ER PT B AU Zhou, Q Birkholzer, JT Leetaru, H Mehnert, E Lin, YF AF Zhou, Q. Birkholzer, J. T. Leetaru, H. Mehnert, E. Lin, Y. F. BE Wang, YX TI Integrated modeling of basin-scale impacts on groundwater resources and plume-scale transport behavior of geologic carbon sequestration in the illinois sedimentary basin SO CALIBRATION AND RELIABILITY IN GROUNDWATER MODELING: MANAGING GROUNDWATER AND THE ENVIRONMENT LA English DT Proceedings Paper CT 7th International Conference on Calibration and Reliability in Groundwater Modeling CY SEP 20-23, 2009 CL Wuhan, PEOPLES R CHINA SP China Univ Geosci, China Geol Survey, Xian Ctr Geol Survey, Natl Nat Sci Fdn China, Int Res Ctr Karst, Int Commiss Groundwater AB A basin-scale multiphase flow model was developed to assess the impact of geologic carbon sequestration (GCS) in the deep saline, Illinois Basin on groundwater resources in northern Illinois. The model covered the Mt. Simon Sandstone as storage formation and the overlying Eau Claire aquitard as caprock. A hypothetical scenario, with 20 storage sites in a most suitable core injection area and an annual rate of five million tonnes of CO(2) for injection over 50 years at each site, was employed. The integrated modeling of basin-scale groundwater flow and of two-phase CO(2)-brine flow within CO(2) plumes was conducted using the parallel TOUGH2/ECO2N simulator and a 3D unstructured mesh of 1.25 million gridblocks with local refinement. Simulation results indicate various favorable conditions for safe storage of large volumes of CO(2) in Mt. Simon, including a deep high-permeability and high-porosity arkosic unit used for CO(2) injection, and secondary seals in Mt. Simon for significant retardation of upward CO(2) migration. The simulated CO(2) plume behavior is supported by observations in natural gas storage fields in the basin, as an analog to GCS. The simulation results also indicate that (1)significant pressure buildup (similar to 35 bar) in the core injection area is produced, but still ensuring caprock geomechanical integrity, (2) moderate pressure buildup (as high as 1 bar) occurs in northern Illinois and might have an impact on brine intrusion into shallow freshwater aquifers, and (3)no direct impact of brine migration within the updip storage formation in northern Illinois. In comparison, the basin-scale environmental impact of GCS is less significant than that of the long-term intensive groundwater extraction from overlying freshwater aquifers in the metro-Chicago region. C1 [Zhou, Q.; Birkholzer, J. T.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Zhou, Q (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. RI Birkholzer, Jens/C-6783-2011 OI Birkholzer, Jens/0000-0002-7989-1912 NR 2 TC 0 Z9 0 U1 0 U2 4 PU CHINA UNIV GEOSCIENCES PRESS PI WUHAN PA 388 LUMO ROAD, WUHAN, HUBEI 430074, PEOPLES R CHINA BN 978-7-5625-2417-5 PY 2009 BP 477 EP 480 PG 4 WC Geosciences, Multidisciplinary; Water Resources SC Geology; Water Resources GA BRB18 UT WOS:000282291900117 ER PT J AU Beiersdorfer, P AF Beiersdorfer, Peter TI Precision energy-level measurements and QED of highly charged ions SO CANADIAN JOURNAL OF PHYSICS LA English DT Article; Proceedings Paper CT Symposium on Atomic Physics - A Tribute to Walter Johnson CY APR 04-05, 2008 CL Univ Notre Dame, Notre Dame, IN HO Univ Notre Dame ID 1S LAMB-SHIFT; HELIUM-LIKE IONS; ABSOLUTE WAVELENGTH MEASUREMENT; HYDROGEN-LIKE ATOMS; X-RAY TRANSITIONS; GROUND-STATE; ONE-ELECTRON; LYMAN-ALPHA; QUANTUM ELECTRODYNAMICS; 2S(1/2)-2P(3/2) LEVELS AB A review is given of measurements involving the K-shell (np -> 1s) transitions of hydrogenlike ions. In many experiments carried out, for example, on electron-beam ion traps and tokamaks, the calculated energies of the Lyman-series lines are utilized as calibration standards for measuring the energies of lines from more complex ions. Examples given include measurements of the transition energies of L-shell lines in neonlike ions. The Lyman lines of low-Z ions are also used as a bootstrap for measuring the contributions of quantum electrodynamics (QED) in very high-Z ions, such as U(81+) and U(89+). The lowest energy member of the Lyman series, Lyman-alpha, is commonly the target of absolute-energy measurements so as to test the reliability of the calculations of atomic structure in general and of the 1s QED terms in particular. A review of 42 measurements of 1s QED measurements indicates an apparent bias toward wanting to agree with calculations. C1 Lawrence Livermore Natl Lab, High Temp & Astrophys Div, Livermore, CA 94550 USA. RP Beiersdorfer, P (reprint author), Lawrence Livermore Natl Lab, High Temp & Astrophys Div, Livermore, CA 94550 USA. EM beiersdorfer@llnl.gov NR 64 TC 11 Z9 11 U1 1 U2 5 PU NATL RESEARCH COUNCIL CANADA-N R C RESEARCH PRESS PI OTTAWA PA BUILDING M 55, OTTAWA, ON K1A 0R6, CANADA SN 0008-4204 J9 CAN J PHYS JI Can. J. Phys. PD JAN PY 2009 VL 87 IS 1 BP 9 EP 14 DI 10.1139/P08-071 PG 6 WC Physics, Multidisciplinary SC Physics GA 431II UT WOS:000265054400004 ER PT J AU Savukov, I AF Savukov, I. TI Diverse, successful, and fascinating relativistic many-body perturbation theory SO CANADIAN JOURNAL OF PHYSICS LA English DT Article; Proceedings Paper CT Symposium on Atomic Physics - A Tribute to Walter Johnson CY APR 04-05, 2008 CL Univ Notre Dame, Notre Dame, IN HO Univ Notre Dame ID TRANSITION AMPLITUDES; IONS AB This paper is dedicated to Walter R. Johnson, my former adviser at the University of Notre Dame, whose extensive work defined a fruitful and exciting theoretical method of atomic physics-relativistic many-body perturbation theory (RMBPT) and who inspired many atomic theorists to work productively in this field of research. Some examples of RMBPT successful applications described below have been developed in our close collaboration. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Savukov, I (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. EM isavukov@lanl.gov OI Savukov, Igor/0000-0003-4190-5335 NR 14 TC 0 Z9 0 U1 0 U2 1 PU NATL RESEARCH COUNCIL CANADA-N R C RESEARCH PRESS PI OTTAWA PA BUILDING M 55, OTTAWA, ON K1A 0R6, CANADA SN 0008-4204 J9 CAN J PHYS JI Can. J. Phys. PD JAN PY 2009 VL 87 IS 1 BP 35 EP 39 DI 10.1139/P08-121 PG 5 WC Physics, Multidisciplinary SC Physics GA 431II UT WOS:000265054400007 ER PT J AU Pagel, JM Matthews, DC Kenoyer, A Hamlin, DK Wilbur, DS Fisher, DR Gopal, AK Lin, YK Saganic, L Appelbaum, FR Press, OW AF Pagel, John M. Matthews, Dana C. Kenoyer, Aimee Hamlin, Donald K. Wilbur, Daniel S. Fisher, Darrell R. Gopal, Ajay K. Lin, Yukang Saganic, Laura Appelbaum, Frederick R. Press, Oliver W. TI Pretargeted Radioimmunotherapy Using Anti-CD45 Monoclonal Antibodies to Deliver Radiation to Murine Hematolymphoid Tissues and Human Myeloid Leukemia SO CANCER RESEARCH LA English DT Article ID HEMATOPOIETIC-CELL TRANSPLANTATION; STREPTAVIDIN FUSION PROTEIN; ACUTE MYELOGENOUS LEUKEMIA; NON-HODGKINS-LYMPHOMA; PHASE-I; THERAPY; Y-90; CYCLOPHOSPHAMIDE; RADIOTHERAPY; IRRADIATION AB Radioimmunotherapy (BIT) for treatment of hematologic malignancies frequently fails because of disease recurrence. We therefore conducted pretargeted (P)RIT studies to augment the efficacy in mice of therapy using a pretargeted antihuman (h)CD45 antibody (Ab)-streptavidin (SA) conjugate followed by a biotinylated clearing agent and radiolabeled 1,4,7,10-tetraazacylodode cane N,N',N '',N'''-tetraacetic (DOTA)-biotin. Tumor-to-blood ratios at 24 hours were 20:1 using pretargeted anti-hCD45 RIT and <1:1 with conventional BIT. In vivo imaging studies confirmed that the PRIT approach provided high-contrast tumor images with minimal blood-pool activity, whereas directly labeled anti-hCD45 Ab produced distinct tumor images but the blood pool retained a large amount of labeled Ab for a prolonged time. Therapy experiments showed that (90)Y-DOTA-biotin significantly prolonged survival of mice treated with pretargeted anti-hCD45 Ab-SA compared with mice treated with conventional RIT using (90)Y-labeled anti-hCD45 Ab at 200 mu Ci. Because human CD45 antigens are confined to xenograft tumor cells in this model, and all murine tissues are devoid of hCD45 and will not bind anti-hCD45 Ab, we also compared one-step and PRIT using an anti-murine (m)CD45 Ab where the target antigen is present on normal hematopoietic tissues. After 24 h, 27.3% +/- 2.8% of the injected dose of activity was delivered per gram (% ID/g) of lymph node using (131)I-A20-Ab compared with 40.0 +/- 5.4% ID/g for pretargeted (111)In-DOTA-biotin. These data suggest that pretargeted methods for delivering RIT may be superior to conventional BIT when targeting CD45 for the treatment of leukemia and may allow for the intensification of therapy, while minimizing toxicities. [Cancer Res 2009;69(1):185-92] C1 [Pagel, John M.; Kenoyer, Aimee; Gopal, Ajay K.; Lin, Yukang; Saganic, Laura; Appelbaum, Frederick R.; Press, Oliver W.] Fred Hutchinson Canc Res Ctr, Seattle, WA 98109 USA. [Pagel, John M.; Gopal, Ajay K.; Appelbaum, Frederick R.; Press, Oliver W.] Univ Washington, Dept Med, Seattle, WA USA. [Hamlin, Donald K.; Wilbur, Daniel S.] Univ Washington, Dept Radiat Oncol, Seattle, WA 98195 USA. [Matthews, Dana C.] Univ Washington, Dept Pediat, Seattle, WA 98195 USA. [Fisher, Darrell R.] Pacific NW Natl Lab, Richland, WA USA. RP Pagel, JM (reprint author), Fred Hutchinson Canc Res Ctr, 1100 Fairview Ave N,M-S D5-380, Seattle, WA 98109 USA. EM jpagel@fhcrc.org FU NIH [RO1 CA109663, PO1 CA44991, K08 CA095448]; Frederick Kullman and Penny E. Petersen Memorial Funds; James and Shirley Raisbeck; Lymphoma Research Foundation; Damon Runyon Cancer Foundation FX The costs of publication of this article were defrayed in part by the payment of page charges. This article must therefore be hereby marked advertisement in accordance with 18 U.S.C. Section 17,34 solely to indicate this fact. NR 29 TC 14 Z9 16 U1 0 U2 3 PU AMER ASSOC CANCER RESEARCH PI PHILADELPHIA PA 615 CHESTNUT ST, 17TH FLOOR, PHILADELPHIA, PA 19106-4404 USA SN 0008-5472 J9 CANCER RES JI Cancer Res. PD JAN 1 PY 2009 VL 69 IS 1 BP 185 EP 192 DI 10.1158/0008-5472.CAN-08-2513 PG 8 WC Oncology SC Oncology GA 391ZQ UT WOS:000262273100025 PM 19118002 ER PT S AU Casten, RF Bonatsos, D McCutchan, EA AF Casten, R. F. Bonatsos, Dennis McCutchan, E. A. BE Blazhev, A Jolie, J Warr, N Zilges, A TI Empirical signatures of quantum phase transitions and universal properties of critical point descriptions and dynamical symmetries SO CAPTURE GAMMA-RAY SPECTROSCOPY AND RELATED TOPICS SE AIP Conference Proceedings LA English DT Proceedings Paper CT 13th International Symposium on Capture Gamma-Ray Spectroscopy and Related Topics CY AUG 25-29, 2008 CL Univ Cologne, Inst Nucl Phys, Cologne, GERMANY HO Univ Cologne, Inst Nucl Phys DE quantum phase transitional regions; geometric and boson models; critical point descriptions; X(5) and E(5) ID INTERACTING-BOSON MODEL; NUCLEI; REGIONS AB Recently, a new signature for quantum phase transitional regions has been discussed. This signature, based on degeneracies of yrast and intrinsic excitations, can distinguish first and second order phase transitions, and is valid not only at or near the analytic critical points described by X(5) and E(5), but along the phase transitional line connecting them as well. In addition, a study of a number of recent analytic solutions to the Bohr Hamiltonian and of the dynamical symmetries of the IBA Hamiltonian has revealed a set of extremely simple and general analytic formulas that describe the energies of 0(+) states. For the case of flat-bottomed geometrical potentials, the formula depends solely on the number of relevant dimensions. For the IBA (large boson number limit) a single formula describes all three dynamical symmetries. C1 [Casten, R. F.] Yale Univ, Wright Nucl Struct Lab, New Haven, CT 06520 USA. [Bonatsos, Dennis] Natl Ctr Sci Res Demokritos, Inst Nucl Phys, GR-15310 Athens, Greece. [McCutchan, E. A.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Casten, RF (reprint author), Yale Univ, Wright Nucl Struct Lab, New Haven, CT 06520 USA. FU U. S. DOE [DE-FG02-91ER-40609]; DOE Office of Nuclear Physics [DE-AC02-06CH11357] FX This work was supported by U. S. DOE Grant No. DE-FG02-91ER-40609 and by the DOE Office of Nuclear Physics under Contract No. DE-AC02-06CH11357. NR 19 TC 0 Z9 0 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0623-0 J9 AIP CONF PROC PY 2009 VL 1090 BP 21 EP + PG 2 WC Physics, Applied; Spectroscopy SC Physics; Spectroscopy GA BJC14 UT WOS:000264672000003 ER PT S AU Siem, S Agvaanluvsan, U Burger, A Guttormsen, M Larsen, AC Mitchell, G Nyhus, HT Chankova, R Rekstad, J Schiller, A Syed, NUH Toft, HK Tveten, GM Voinov, A AF Siem, S. Agvaanluvsan, U. Burger, A. Guttormsen, M. Larsen, A. C. Mitchell, G. Nyhus, H. T. Chankova, R. Rekstad, J. Schiller, A. Syed, N. U. H. Toft, H. K. Tveten, G. M. Voinov, A. BE Blazhev, A Jolie, J Warr, N Zilges, A TI Level densities and radiative strength functions SO CAPTURE GAMMA-RAY SPECTROSCOPY AND RELATED TOPICS SE AIP Conference Proceedings LA English DT Proceedings Paper CT 13th International Symposium on Capture Gamma-Ray Spectroscopy and Related Topics CY AUG 25-29, 2008 CL Univ Cologne, Inst Nucl Phys, Cologne, GERMANY HO Univ Cologne, Inst Nucl Phys DE Level density; gamma-ray strength function; Pygmy resonance; scissors mode ID NUCLEI; CONTINUUM; SPECTRA; SN-116; YB-172 AB This paper presents a summary of the latest results from experiments performed at the Oslo Cyclotron. The Oslo group has developed a technique to extract simultaneously the level density and radiative strength function from primary gamma-ray spectra. A small (pygmy) resonance in the radiative strength function has been observed at around 3 MeV in several deformed rare earth nuclei. This resonance is shown to be of M1 character and the origin is thought to be the scissors mode. This resonance vanishes for the spherical Sm nuclei, as expected, since the scissors mode is dependent on deformation. Experiments performed in Oslo found the resonance in Dy isotopes to be twice as wide as the width extracted in an indirect way by comparing simulations with two-step cascade spectra from neutron capture experiments. In Sn-116,Sn-117 an increase in the slope of the radiative strength function around E-gamma = 4.5 MeV indicates the onset of resonance-like structures in both nuclei, resulting in a significant enhancement of the radiative strength functions compared to standard models in the energy region 4.5 < E-gamma < 7.7 MeV. Another interesting phenomenon is the unexpected enhancement of the gamma-strength function below 4 MeV which has been observed in Fe, Mo, V, and Sc isotopes. The level density and radiative strength function of Mo-96 have been reanalyzed, and the enhanced gamma strength for E-gamma < 3 - 4 MeV is confirmed. This enhancement is presently not understood and remains a challenge for theoretical models. C1 [Siem, S.; Burger, A.; Guttormsen, M.; Larsen, A. C.; Nyhus, H. T.; Rekstad, J.; Syed, N. U. H.; Toft, H. K.; Tveten, G. M.] Univ Oslo, Dept Phys, POB 1048 Blindern, N-0316 Oslo, Norway. [Agvaanluvsan, U.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Mitchell, G.; Chankova, R.] North Carolina State Univ, Dept Phys, Raleigh, NC 27695 USA. [Mitchell, G.; Chankova, R.] Triangle Univ Nucl Lab, Durham, NC 27708 USA. [Schiller, A.; Voinov, A.] Ohio Univ, Dept Phys & Astron, Athens, OH 45701 USA. RP Siem, S (reprint author), Univ Oslo, Dept Phys, POB 1048 Blindern, N-0316 Oslo, Norway. RI Larsen, Ann-Cecilie/C-8742-2014; OI Larsen, Ann-Cecilie/0000-0002-2188-3709; Tveten, Gry Merete/0000-0002-6942-8254 FU Norwegian Research Council (NFR); National Nuclear Security Administration under the Stewardship Science Academic Alliances program through DOE Research [DE-FG52-06NA26194]; U.S. Department of Energy [DE-FG02-97-ER41042] FX Financial support from the Norwegian Research Council (NFR) is gratefully acknowledged. part of this research was sponsored by the National Nuclear Security Administration under the Stewardship Science Academic Alliances program through DOE Research Grant no. DE-FG52-06NA26194. U. A. and G.E.M. also acknowledge suport from U.S. Department of Energy Grant No. DE-FG02-97-ER41042. NR 24 TC 2 Z9 2 U1 0 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0623-0 J9 AIP CONF PROC PY 2009 VL 1090 BP 66 EP + PG 2 WC Physics, Applied; Spectroscopy SC Physics; Spectroscopy GA BJC14 UT WOS:000264672000010 ER PT S AU Coquard, L Ahn, T Rainovski, G Pietralla, N Leske, J Moller, O Moller, T Carpenter, M Janssens, RVF Lister, CJ Zhu, S Bettermann, L Rother, W AF Coquard, L. Ahn, T. Rainovski, G. Pietralla, N. Leske, J. Moeller, O. Moller, T. Carpenter, M. Janssens, R. V. F. Lister, C. J. Zhu, S. Bettermann, L. Rother, W. BE Blazhev, A Jolie, J Warr, N Zilges, A TI Evolution of the one-phonon mixed-symmetry 2(1,ms)(+) state in even-even Xe isotopes from inverse-kinematics Coulomb excitation SO CAPTURE GAMMA-RAY SPECTROSCOPY AND RELATED TOPICS SE AIP Conference Proceedings LA English DT Proceedings Paper CT 13th International Symposium on Capture Gamma-Ray Spectroscopy and Related Topics CY AUG 25-29, 2008 CL Univ Cologne, Inst Nucl Phys, Cologne, GERMANY HO Univ Cologne, Inst Nucl Phys DE IBM; Mixed Symmetry States; Coulomb excitation ID INTERACTING BOSON MODEL; COLLECTIVE NUCLEAR-STATES; XENON; LIMIT AB Coulomb excitation experiments in inverse kinematics on beams of stable Xe-134 132,Xe-130,Xe-128,Xe-126,Xe-124 ions impinging on a carbon target at energies of 82% of the respective Coulomb barriers have been performed. The one-phonon 2(1,ms)(+) states have been tracked and identified in Xe-134,Xe-132,Xe-130,Xe-128 from the 2(i,ms)(+) -> 2(1)(+) M1 strength distributions and from 0(1)(+) -> 2(i,ms)(+) E2 strength distributions responsible for the one-step Coulomb excitation processes. The evolution of the one-phonon 2(1,ms)(+) state within the seven even-even stable Xe isotopes is here presented. C1 [Coquard, L.; Ahn, T.] Tech Univ Darmstadt, Inst Kernphys, Petersenstr 30, D-64289 Darmstadt, Germany. [Ahn, T.] Yale Univ, AW Wright Nucl Struct Lab, New Haven, CT 06520 USA. [Rainovski, G.] Sofia Univ St Kliment Ohridski, Fac Phys, BU-1164 Sofia, Bulgaria. [Pietralla, N.; Leske, J.; Moeller, O.; Moller, T.] Tech Univ Darmstadt, Inst Kernphys, Petersenstr 30, D-64289 Darmstadt, Germany. [Carpenter, M.; Janssens, R. V. F.; Lister, C. J.; Zhu, S.] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. [Bettermann, L.; Rother, W.] Univ Cologne, Inst Kern Phys, D-50937 Cologne, Germany. RP Coquard, L (reprint author), Tech Univ Darmstadt, Inst Kernphys, Petersenstr 30, D-64289 Darmstadt, Germany. RI Carpenter, Michael/E-4287-2015; Ahn, Tan/C-9158-2016; Rainovski, Georgi/A-3450-2008 OI Carpenter, Michael/0000-0002-3237-5734; Ahn, Tan/0000-0003-2249-7399; Rainovski, Georgi/0000-0002-1729-0249 FU U.S. Department of Energy, Office of Nuclear Physics [DE-ACO2-06CH11357]; DFG [Pi 393/2-1, SFB 634] FX We would like to thank the staff at ANL for their support during the experiments and L. Bettermann [32], A. Paves, V. Werner, and F. Iachello for discussions. This work was partially supported by the U.S. Department of Energy, Office of Nuclear Physics, under Contract No. DE-ACO2-06CH11357 and by the DFG under grant No. Pi 393/2-1 and under No. SFB 634. NR 31 TC 0 Z9 0 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0623-0 J9 AIP CONF PROC PY 2009 VL 1090 BP 140 EP + PG 2 WC Physics, Applied; Spectroscopy SC Physics; Spectroscopy GA BJC14 UT WOS:000264672000023 ER PT S AU Kondev, FG Ahmad, I Carpenter, MP Chiara, CJ Greene, JP Janssens, RVF Kellett, MA Khoo, TL Lauritsen, T Lister, CJ Moore, EF Nichols, AL Seweryniak, D Zhu, S AF Kondev, F. G. Ahmad, I. Carpenter, M. P. Chiara, C. J. Greene, J. P. Janssens, R. V. F. Kellett, M. A. Khoo, T. L. Lauritsen, T. Lister, C. J. Moore, E. F. Nichols, A. L. Seweryniak, D. Zhu, S. BE Blazhev, A Jolie, J Warr, N Zilges, A TI Studies of Nuclear Structure and Decay Properties of Actinide Nuclei SO CAPTURE GAMMA-RAY SPECTROSCOPY AND RELATED TOPICS SE AIP Conference Proceedings LA English DT Proceedings Paper CT 13th International Symposium on Capture Gamma-Ray Spectroscopy and Related Topics CY AUG 25-29, 2008 CL Univ Cologne, Inst Nucl Phys, Cologne, GERMANY HO Univ Cologne, Inst Nucl Phys DE nuclear structure; decay data; half-lives; alpha-particle and gamma-ray emission probabilities ID HALF-LIFE; EMISSION PROBABILITIES; ALPHA-DECAY; CM-246; LIVES; SPECTROSCOPY; NUCLIDES; ENERGY; CF-249 AB The identification of single-particle states in heavy actinide nuclei by means of studying their decay schemes plays a seminal role in understanding the structure of the heaviest elements and testing the predictive power of modern theoretical models. The heaviest odd-mass nuclides available in sufficient quantity for detailed decay spectroscopic studies are 20-h Fm-255 (for neutrons) and 20-d Es-253 (for protons). Decay spectra of these isotopes, together with those for the odd-odd 276-d Es-254 nuclide, were measured using a variety of a-particle and gamma-ray spectroscopy techniques. Well-defined decay data are also essential pre-requisites for the detection and accurate characterization of fissile radionuclides. The parameters of greatest relevance include actinide half-lives, branching fractions, and a-particle and gamma-ray energies and emission probabilities. Their quantification to good accuracy provides the means of monitoring their presence, behavior and transport in nuclear facilities as well as any clandestine movement and usage. As a consequence of recommendations made at recent IAEA research coordination meetings on "Updated Decay Data Library for Actinides", measurements were under-taken to determine specific decay data of the more inadequately defined radionuclides. C1 [Kondev, F. G.; Ahmad, I.; Carpenter, M. P.; Chiara, C. J.; Greene, J. P.; Janssens, R. V. F.; Khoo, T. L.; Lauritsen, T.; Lister, C. J.; Moore, E. F.; Seweryniak, D.; Zhu, S.] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. [Kellett, M. A.] IAEA, Dept Nucl Sci & Appl, Nucl Data Sect, Div Phys & Chem Sci, A-1400 Vienna, Austria. RP Kondev, FG (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM kondev@anl.gov RI Carpenter, Michael/E-4287-2015 OI Carpenter, Michael/0000-0002-3237-5734 FU U.S. Department of Energy, Office of Nuclear Physics [DE-AC'02-06CH11357]; Coordinated Research Project "Updated Decay Data Library for Ac-tinkles" FX This work was supported by the U.S. Department of Energy, Office of Nuclear Physics, under Contract No. DE-AC'02-06CH11357 and was undertaken in part with the assis-tance of the Nuclear Data Section of the International Atomic Energy Agency under the auspices of the Coordinated Research Project "Updated Decay Data Library for Ac-tinkles". We are indebted for the use of the 243cm, 249a; 253,254Ds , .., and 255FM samples to the Office of Basic Energy Sciences, U.S. Department of Energy, through the Transplu-tonium Element Production Program facilities at Oak Ridge National Laboratory NR 29 TC 2 Z9 2 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0623-0 J9 AIP CONF PROC PY 2009 VL 1090 BP 199 EP + PG 3 WC Physics, Applied; Spectroscopy SC Physics; Spectroscopy GA BJC14 UT WOS:000264672000035 ER PT S AU Devlin, M Taddeucci, TN Hale, GM Haight, RC O'Donnell, JM AF Devlin, M. Taddeucci, T. N. Hale, G. M. Haight, R. C. O'Donnell, J. M. BE Blazhev, A Jolie, J Warr, N Zilges, A TI Differential Cross Section Measurements for the (6)Li(n,t)alpha Reaction in the Few MeV Region SO CAPTURE GAMMA-RAY SPECTROSCOPY AND RELATED TOPICS SE AIP Conference Proceedings LA English DT Proceedings Paper CT 13th International Symposium on Capture Gamma-Ray Spectroscopy and Related Topics CY AUG 25-29, 2008 CL Univ Cologne, Inst Nucl Phys, Cologne, GERMANY HO Univ Cologne, Inst Nucl Phys DE (6)Li(n,t) differential cross section; R-matrix ID CALIBRATION; DETECTOR AB New measured differential cross sections of tritons and alpha particles following the (6)Li(n,t)alpha reaction are reported for incident neutron energies between 0.2 and approximately 20 MeV. The neutrons were produced by spallation at the WNR facility at the Los Alamos Neutron Science CEnter (LANSCE), with the incident neutron energy determined by the time-of-flight method. Four E-Delta E telescopes were used at eight laboratory angles. These data have been incorporated into a prior R-matrix fit for the compound (7)Li system, and result in an (n,t) reaction cross section that is 4% to 10% higher than previous evaluations in the 1-3 MeV incident neutron energy region. C1 [Devlin, M.; Taddeucci, T. N.; Hale, G. M.; Haight, R. C.; O'Donnell, J. M.] Los Alamos Natl Lab, Los Alamos, NM 87544 USA. RP Devlin, M (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87544 USA. EM devlin@lanl.gov RI Devlin, Matthew/B-5089-2013 OI Devlin, Matthew/0000-0002-6948-2154 NR 12 TC 4 Z9 4 U1 0 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0623-0 J9 AIP CONF PROC PY 2009 VL 1090 BP 215 EP 219 PG 5 WC Physics, Applied; Spectroscopy SC Physics; Spectroscopy GA BJC14 UT WOS:000264672000037 ER PT S AU Jandel, M Bredeweg, TA Stoyer, MA Wu, CY Fowler, MM Becker, JA Bond, EM Couture, A Haight, RC Haslett, RJ Henderson, RA Keksis, AL O'Donnell, JM Rundberg, RS Ullmann, JL Vieira, DJ Wilhelmy, JB Wouters, JA AF Jandel, M. Bredeweg, T. A. Stoyer, M. A. Wu, C. Y. Fowler, M. M. Becker, J. A. Bond, E. M. Couture, A. Haight, R. C. Haslett, R. J. Henderson, R. A. Keksis, A. L. O'Donnell, J. M. Rundberg, R. S. Ullmann, J. L. Vieira, D. J. Wilhelmy, J. B. Wouters, J. A. BE Blazhev, A Jolie, J Warr, N Zilges, A TI Neutron capture and neutron-induced fission experiments on americium isotopes with DANCE SO CAPTURE GAMMA-RAY SPECTROSCOPY AND RELATED TOPICS SE AIP Conference Proceedings LA English DT Proceedings Paper CT 13th International Symposium on Capture Gamma-Ray Spectroscopy and Related Topics CY AUG 25-29, 2008 CL Univ Cologne, Inst Nucl Phys, Cologne, GERMANY HO Univ Cologne, Inst Nucl Phys DE Neutron capture; Neutron-induced fission; Cross sections AB Neutron capture cross section data on Am isotopes were measured using the Detector for Advanced Neutron Capture Experiments (DANCE) at Los Alamos National Laboratory. The neutron capture cross section was determined for Am-241 for neutron energies between thermal and 320 keV. Preliminary results were also obtained for Am-243 for neutron energies between 10 eV and 250 keV. The results on concurrent neutron-induced fission and neutron-capture measurements on Am-242m will be presented where the fission events were actively triggered during the experiments. In these experiments, a Parallel-Plate Avalanche Counter (PPAC) detector that surrounds the target located in the center of the DANCE array was used as a fission-tagging detector to separate (n,gamma) events from (n,f) events. The first direct observation of neutron capture on Am-242m in the resonance region in between 2 and 9 eV of the neutron energy was obtained. C1 [Jandel, M.; Bredeweg, T. A.; Fowler, M. M.; Bond, E. M.; Couture, A.; Haight, R. C.; Keksis, A. L.; O'Donnell, J. M.; Rundberg, R. S.; Ullmann, J. L.; Vieira, D. J.; Wilhelmy, J. B.; Wouters, J. A.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. [Stoyer, M. A.; Wu, C. Y.; Becker, J. A.; Haslett, R. J.; Henderson, R. A.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Jandel, M (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM mjandel@lanl.gov FU U.S. Department of Energy at Los Alamos National Laboratory by the Los Alamos National Security LLC [DE-AC52-06NA25396]; Lawrence Livermore National Laboratory; Lawrence Livermore National Security, LLC [DE-AC52-07NA27344] FX This work benefited from the use of the LANSCE accelerator facility. Work was performed under the auspices of the U.S. Department of Energy at Los Alamos National Laboratory by the Los Alamos National Security, LLC under Contract No. DE-AC52-06NA25396 and at Lawrence Livermore National Laboratory by the Lawrence Livermore National Security, LLC under Contract No. DE-AC52-07NA27344 NR 8 TC 2 Z9 2 U1 0 U2 1 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0623-0 J9 AIP CONF PROC PY 2009 VL 1090 BP 220 EP + PG 2 WC Physics, Applied; Spectroscopy SC Physics; Spectroscopy GA BJC14 UT WOS:000264672000038 ER PT S AU Rainovski, G Pietralla, N Ahn, T Coquard, L Lister, CJ Janssens, RVF Carpenter, MP Zhu, S Bettermann, L Rother, W Jolie, J AF Rainovski, G. Pietralla, N. Ahn, T. Coquard, L. Lister, C. J. Janssens, R. V. F. Carpenter, M. P. Zhu, S. Bettermann, L. Rother, W. Jolie, J. BE Blazhev, A Jolie, J Warr, N Zilges, A TI Off-yrast collectivity of the O(6) like nucleus Xe-124 SO CAPTURE GAMMA-RAY SPECTROSCOPY AND RELATED TOPICS SE AIP Conference Proceedings LA English DT Proceedings Paper CT 13th International Symposium on Capture Gamma-Ray Spectroscopy and Related Topics CY AUG 25-29, 2008 CL Univ Cologne, Inst Nucl Phys, Cologne, GERMANY HO Univ Cologne, Inst Nucl Phys DE Coulomb excitation reactions; Measured B(E2); Comparison with IBM-1 calculations ID STATES AB Excited states in Xe-124 have been studied via the C-12(Xe-124,Xe-124*) Coulomb excitation reaction. Relative cross-sections have been determined from the gamma-ray yields observed with Gammasphere. The E2 strengths between the low-spin states in Xe-124 have been determined. The results clearly show the realization of the O(5) symmetry even for the off-yrast states with high tau, while the O(6) symmetry seems to be already broken. C1 [Rainovski, G.] Sofia Univ St Kliment Ohridski, Fac Phys, Sofia 1164, Bulgaria. [Pietralla, N.; Ahn, T.; Coquard, L.] Tech Univ Darmstadt, Inst Kernphysik, D-64289 Darmstadt, Germany. [Ahn, T.] SUNY Stony Brook, Dept Phys & Astrom, Stony Brook, NY 11794 USA. [Lister, C. J.; Janssens, R. V. F.; Carpenter, M. P.; Zhu, S.] Argonne Natl Lab, Argonne, IL 60439 USA. [Bettermann, L.; Rother, W.; Jolie, J.] Univ Cologne, Inst Kernphysik, D-50937 Cologne, Germany. RP Rainovski, G (reprint author), Sofia Univ St Kliment Ohridski, Fac Phys, Sofia 1164, Bulgaria. EM rig@phys.uni-sofia.bg; pietralla@ikp.tu-darmstadt.de; coquard@ikp.tu-darmstadt.de; linus@ikp.uni-koeln.de; wrother@ikp.uni-koeln.de; jolie@ikp.uni-koeln.de RI Carpenter, Michael/E-4287-2015; Ahn, Tan/C-9158-2016; Rainovski, Georgi/A-3450-2008 OI Carpenter, Michael/0000-0002-3237-5734; Ahn, Tan/0000-0003-2249-7399; Rainovski, Georgi/0000-0002-1729-0249 FU US NSF [PHY-0245018]; US DoE; Office of Nuclear Physics [DE-ACO2-06CH11357, DE-R302-04ER41334]; Bulgarian NSF [VUF-06/05]; German-Bulgarian exchange program [D/06/05918, DAAD-09]; DEG [SFS 634, Pi 393/2-1] FX This work is supported by the US NSF within contract PHY-0245018, by the US DoE, Office of Nuclear Physics, under contract DE-ACO2-06CH11357 and grant DE-R302-04ER41334, by the Bulgarian NSF within contract VUF-06/05, by the German-Bulgarian exchange program under grants D/06/05918 and DAAD-09 and by the DEG under grants SFS 634 and Pi 393/2-1. NR 20 TC 1 Z9 1 U1 0 U2 1 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0623-0 J9 AIP CONF PROC PY 2009 VL 1090 BP 263 EP + PG 2 WC Physics, Applied; Spectroscopy SC Physics; Spectroscopy GA BJC14 UT WOS:000264672000045 ER PT S AU Stetcu, I Liu, CP Friar, JL Hayes, AC Navratil, R AF Stetcu, I. Liu, C. -P Friar, J. L. Hayes, A. C. Navratil, R. BE Blazhev, A Jolie, J Warr, N Zilges, A TI Nuclear electric dipole moment of He-3 SO CAPTURE GAMMA-RAY SPECTROSCOPY AND RELATED TOPICS SE AIP Conference Proceedings LA English DT Proceedings Paper CT 13th International Symposium on Capture Gamma-Ray Spectroscopy and Related Topics CY AUG 25-29, 2008 CL Univ Cologne, Inst Nucl Phys, Cologne, GERMANY HO Univ Cologne, Inst Nucl Phys DE electric dipole moment; parity and time-reversal violation; nucleon-nucleon interactions ID ION STORAGE-RINGS; NEUTRON AB In the no-core shell model (NCSM) framework, we calculate the He-3 electric dipole moment (EDM) generated by parity- and time-reversal violation in the nucleon-nucleon interaction. While the results are somehow sensitive to the interaction model chosen for the strong two- and three-body interactions, we demonstrate the pion-exchange dominance to the EDM of He-3, if the coupling constants for pi, rho and omega-exchanges are of comparable magnitude, as expected. Finally, our results suggest that a measurement of He-3 EDM would be complementary to the currently planned neutron and deuteron experiments, and would constitute a powerful constraint to the models of the pion P- and T-violating interactions. C1 [Stetcu, I.; Friar, J. L.; Hayes, A. C.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Liu, C. -P] Univ Wisconsin, Dept Phys, Madison, WI 53706 USA. [Liu, C. -P] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. [Navratil, R.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Stetcu, I (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM istet@lanl.gov FU Wisconsin Alumni Research Foundation; US DOE [DE-FG02-08ER41531, DE-AC05-00OR22725]; LLNL [DE-AC52-07NA27344]; US DOE/SC/NP [SCW0498]; US Department of Energy [DE-FG02-87ER40371] FX I.S. thanks W. Leidemann, S. Quaglioni and S. Bacca for useful discussions. J.L.F. greatly appreciates insights provided by P. Herczeg and U. van Kolck. The work of I.S., C.P.L., J.L.F. and A.C.H. was performed under the auspices of the US DOE. C.P.L. acknowledges partial support from the Wisconsin Alumni Research Foundation and US DOE under contract Nos. DE-FG02-08ER41531 (UWisc) and DE-AC05-00OR22725 (ORNL). Prepared by LLNL under contract No. DE-AC52-07NA27344. Support from the US DOE/SC/NP (Work Proposal No. SCW0498), and from the US Department of Energy Grant DE-FG02-87ER40371 is acknowledged. NR 25 TC 0 Z9 0 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0623-0 J9 AIP CONF PROC PY 2009 VL 1090 BP 273 EP + PG 2 WC Physics, Applied; Spectroscopy SC Physics; Spectroscopy GA BJC14 UT WOS:000264672000047 ER PT S AU Garrett, PE Kulp, WD Wood, JL Allmond, JM Bandyopadhyay, D Christen, S Choudry, SN Cline, D Dashdorj, D Dewald, A Fitzler, A Fransen, C Hayes, AB Hua, H Jessen, K Jolie, J Kloezer, A Kudejova, P Kumar, A Lesher, SR Linnemann, A Lisetskiy, A Martin, D Masur, M McEllistrem, MT Moller, O Mynk, MG Mckay, CJ Orce, JN Pejovic, P Pissulla, T Regis, JM Schiller, A Teng, R Tonev, D Wu, CY Yates, SW AF Garrett, P. E. Kulp, W. D. Wood, J. L. Allmond, J. M. Bandyopadhyay, D. Christen, S. Choudry, S. N. Cline, D. Dashdorj, D. Dewald, A. Fitzler, A. Fransen, C. Hayes, A. B. Hua, H. Jessen, K. Jolie, J. Kloezer, A. Kudejova, P. Kumar, A. Lesher, S. R. Linnemann, A. Lisetskiy, A. Martin, D. Masur, M. McEllistrem, M. T. Moeller, O. Mynk, M. G. McKay, C. J. Orce, J. N. Pejovic, P. Pissulla, T. Regis, J. -M. Schiller, A. Teng, R. Tonev, D. Wu, C. Y. Yates, S. W. BE Blazhev, A Jolie, J Warr, N Zilges, A TI Investigation of Sm-152 by Complementary Reactions SO CAPTURE GAMMA-RAY SPECTROSCOPY AND RELATED TOPICS SE AIP Conference Proceedings LA English DT Proceedings Paper CT 13th International Symposium on Capture Gamma-Ray Spectroscopy and Related Topics CY AUG 25-29, 2008 CL Univ Cologne, Inst Nucl Phys, Cologne, GERMANY HO Univ Cologne, Inst Nucl Phys DE rotational levels; octupole band; hexadecapole band; transitional nuclei ID DEFORMED-NUCLEI; STATES AB Understanding the nuclear structure of Sm-152, along with other N = 90 isotones, has long posed a challenge. A rapid transition in shape between the spherical N = 88 Sm-150 and well-deformed N = 92 Sm-154 is observed, along with strong evidence for shape coexistence. Competing ideas have been put forward over the decades, with the most recent being that N = 90 is at the critical point of a shape phase transition. Until recently, the lack of high-precision data has not allowed the competing models to be extensively tested. In a coordinated program of investigation, a series of complementary experiments, which include high-statistics beta decay, multi-step Coulomb excitation, the Nd-150(alpha,2n) reaction, and the (n,n'gamma) reaction, have been performed for Sm-152. These experiments have revealed the existence of a pairing-isomer band, a hexadecapole band, the lack of multi-phonon beta vibrational bands, and the repetition of structures built on the first excited K-pi=0(+) as built on the ground state. The status of these coordinated studies is examined. C1 [Garrett, P. E.] Univ Guelph, Dept Phys, Guelph, ON N1G 2W1, Canada. [Kulp, W. D.; Wood, J. L.; Allmond, J. M.] Georgia Inst Technol, Dept Phys, Atlanta, GA 30332 USA. [Bandyopadhyay, D.; Choudry, S. N.; Lesher, S. R.; Mynk, M. G.; McKay, C. J.; Orce, J. N.] Univ Kentucky, Dept Phys & Astron, Lexington, KY 40506 USA. [Christen, S.; Dewald, A.; Fitzler, A.; Fransen, C.; Jessen, K.; Jolie, J.; Kloezer, A.; Kudejova, P.; Linnemann, A.; Lisetskiy, A.; Martin, D.; Masur, M.; Moeller, O.; Pissulla, T.; Regis, J. -M.; Tonev, D.] Univ Cologne, Inst Kernphys, D-50937 Cologne, Germany. [Cline, D.; Hua, H.; Kumar, A.; Teng, R.; Wu, C. Y.] Univ Rochester, Dept Phys, Nucl Struct Res Lab, Rochester, NY 14627 USA. [Dashdorj, D.] North Carolina State Univ, Dept Phys, Raleigh, NC 27695 USA. [Schiller, A.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Yates, S. W.] Univ Kentucky, Dept Chem, Lexington, KY 40506 USA. RP Garrett, PE (reprint author), Univ Guelph, Dept Phys, Guelph, ON N1G 2W1, Canada. OI Kudejova, Petra/0000-0003-1485-3672; Allmond, James Mitchell/0000-0001-6533-8721 FU Natural Sciences and Engineering Research Council of Canada (NSERC); US Department of Energy [DE-F002- 96ER40958]; National Science Foundation [PHY-0244847, PHY-0652415]; Deutsche Forschungsge-meinschaft [JO-391/3-2] FX This work was supported in part by the Natural Sciences and Engineering Research Council of Canada (NSERC), the US Department of Energy under grant DE-F002- 96ER40958 (Georgia Tech.), the National Science Foundation under grants PHY-0244847 (Rochester) and PHY-0652415 (Kentucky), and the Deutsche Forschungsge-meinschaft under grant JO-391/3-2. NR 22 TC 0 Z9 0 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0623-0 J9 AIP CONF PROC PY 2009 VL 1090 BP 391 EP + PG 2 WC Physics, Applied; Spectroscopy SC Physics; Spectroscopy GA BJC14 UT WOS:000264672000071 ER PT S AU Koehler, PE Bredeweg, TA Guber, KH Harvey, JA O'Donnell, JM Reifarth, R Rundberg, RS Ullmann, JL Vieira, DJ Wiarda, D Wouters, JM AF Koehler, P. E. Bredeweg, T. A. Guber, K. H. Harvey, J. A. O'Donnell, J. M. Reifarth, R. Rundberg, R. S. Ullmann, J. L. Vieira, D. J. Wiarda, D. Wouters, J. M. BE Blazhev, A Jolie, J Warr, N Zilges, A TI Non-Statistical Effects in Neutron Capture SO CAPTURE GAMMA-RAY SPECTROSCOPY AND RELATED TOPICS SE AIP Conference Proceedings LA English DT Proceedings Paper CT 13th International Symposium on Capture Gamma-Ray Spectroscopy and Related Topics CY AUG 25-29, 2008 CL Univ Cologne, Inst Nucl Phys, Cologne, GERMANY HO Univ Cologne, Inst Nucl Phys DE Neutron Capture; Non-Statistical Effects ID SPIN ASSIGNMENT; GAMMA; SPECTROSCOPY; RESONANCES; TH-232 AB There have been many reports of non-statistical effects in neutron-capture measurements. However, reports of deviations of reduced-neutron-width (Gamma(0)(n)) distributions from the expected Porter-Thomas (PT) shape largely have been ignored. Most of these deviations have been reported for odd-A nuclides. Because reliable spin (J) assignments have been absent for most resonances for such nuclides, it is possible that reported deviations from PT might be due to incorrect J assignments. We recently developed a new method for measuring spins of neutron resonances by using the DANCE detector at the Los Alamos Neutron Science Center (LANSCE). Measurements made with a Sm-147 sample allowed us to determine spins of almost all known resonances below 1 keV. Furthermore, analysis of these data revealed that the Gamma(0)(n) distribution was in good agreement with PT for resonances below 350 eV, but in disagreement with PT for resonances between 350 and 700 eV. Our previous (n,alpha) measurements had revealed that the cc strength function also changes abruptly at this energy. There currently is no known explanation for these two non-statistical effects. Recently, we have developed another new method for determining the spins of neutron resonances. To implement this technique required a small change (to record pulse-height information for coincidence events) to a much simpler apparatus: A pair of C6D6 gamma-ray detectors which we have employed for many years to measure neutron-capture cross sections at the Oak Ridge Electron Linear Accelerator (ORELA). Measurements with a Mo-95 sample revealed that not only does the method work very well for determining spins, but it also makes possible parity assignments. Taken together, these new techniques at LANSCE and ORELA could be very useful for further elucidation of non-statistical effects. C1 [Koehler, P. E.; Guber, K. H.; Harvey, J. A.; Wiarda, D.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Bredeweg, T. A.; O'Donnell, J. M.] Los Alamos Natl Lab, Los Alamos, NM USA. [Reifarth, R.] GSI Darmstadt, Darmstadt, Germany. RP Koehler, PE (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM koehlerpe@ornl.gov OI Koehler, Paul/0000-0002-6717-0771 FU U.S. Department of Energy [DE-AC05-00OR22725]; University of California [W-7405-ENG-36] FX This work was supported in parted by the U.S. Department of Energy under Contract No. DE-AC05-00OR22725 WITH UT-Battelle,LLC. This work has benefited from the use of the LANSCE facility at Los Alamos National Laboratory, which was funded by the U.S. Department of Energy and operated by the University of California under Contract W-7405-ENG-36. NR 21 TC 3 Z9 3 U1 0 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0623-0 J9 AIP CONF PROC PY 2009 VL 1090 BP 424 EP + PG 2 WC Physics, Applied; Spectroscopy SC Physics; Spectroscopy GA BJC14 UT WOS:000264672000077 ER PT S AU Urban, W Faust, H Jentschel, M Koster, U Kremepel, J Materna, T Mutti, P Soldner, T Genevey, J Pinston, JA Simpson, G Rzaca-Urban, T Zlomaniec, A Lukasiewicz, M Sieja, K Nowacki, F Dorvaux, O Gall, BJP Roux, B Dare, JA Durell, JL Smith, AG Varley, BJ Tsekhanovich, I Jolie, J Linnemann, A Scherillo, A Orlandi, R Smith, JF Ahmad, I AF Urban, W. Faust, H. Jentschel, M. Koester, U. Kremepel, J. Materna, Th. Mutti, P. Soldner, T. Genevey, J. Pinston, J. A. Simpson, G. Rzaca-Urban, T. Zlomaniec, A. Lukasiewicz, M. Sieja, K. Nowacki, F. Dorvaux, O. Gall, B. J. P. Roux, B. Dare, J. A. Durell, J. L. Smith, A. G. Varley, B. J. Tsekhanovich, I. Jolie, J. Linnemann, A. Scherillo, A. Orlandi, R. Smith, J. F. Ahmad, I. BE Blazhev, A Jolie, J Warr, N Zilges, A TI Isomers in Fission Fragments SO CAPTURE GAMMA-RAY SPECTROSCOPY AND RELATED TOPICS SE AIP Conference Proceedings LA English DT Proceedings Paper CT 13th International Symposium on Capture Gamma-Ray Spectroscopy and Related Topics CY AUG 25-29, 2008 CL Univ Cologne, Inst Nucl Phys, Cologne, GERMANY HO Univ Cologne, Inst Nucl Phys DE Fission Fragments; Isomers; Nuclear Structure; Neutron-rich Nuclei; Nuclear Deformation ID NEUTRON-RICH NUCLEI; HIGH-FLUX REACTOR; A-SIMILAR-TO-100 REGION; SHAPE COEXISTENCE; BARIUM ISOTOPES; ZR NUCLEI; DEFORMATION; PRODUCTS; GRENOBLE; STATES AB The structure of neutron-rich nuclei produced as secondary fission fragments was investigated using the EUROGAM and GAMMASPHERE ACS arrays, the LOHENGRIN fission-fragment mass separator and the FIR fission-fragment identifier. Fission products were populated in spontaneous fission of Cm-248 and Cf-252 and in thermal neutron-induced fission of U-233, U-235 and Pu-241 at ILL Grenoble. Particularly useful in such studies are isomeric states, well populated in fission due to their yrast character, easy to detect due to their long half lives and easy to interpret because of their relatively simple composition. We discuss their role in studies of neutron-rich nuclei, giving examples of isomers found in our recent experiments. A special type of K-isomers, resulting from 'crossing' of extruder and intruder orbitals plays a role in the mechanism of a sudden onset of deformation in the A=100 and A=150 regions. We present evidence for these isomers in both regions. Possible further studies in this field are proposed. C1 [Urban, W.; Faust, H.; Jentschel, M.; Koester, U.; Kremepel, J.; Materna, Th.; Mutti, P.; Soldner, T.] Inst Max Von Laue Paul Langevin, BP 156, F-38042 Grenoble 9, France. [Genevey, J.; Pinston, J. A.; Simpson, G.] Univ Grenoble 1, CNRS, IN2P3, F-38026 St Martin Dheres, France. [Rzaca-Urban, T.; Zlomaniec, A.; Lukasiewicz, M.] Univ Warsaw, Fac Phys, PL-00681 Warsaw, Poland. [Sieja, K.] Gesell Schwerionenforsch mbH, D-64291 Darmstadt, Germany. [Nowacki, F.; Dorvaux, O.; Gall, B. J. P.; Roux, B.] Inst Pluridisciplinaire, F-67037 Strasbourg, France. [Dare, J. A.; Durell, J. L.; Smith, A. G.; Varley, B. J.; Tsekhanovich, I.] Univ Manchester, Dept Phys & Astron, Manchester M13 9PL, Lancs, England. [Jolie, J.; Linnemann, A.] Univ Cologne, Inst Kernphys, D-50937 Cologne, Germany. [Scherillo, A.] Rutherford Appleton Lab, Didcot, Oxon OX11 0QX, England. [Orlandi, R.; Smith, J. F.] Univ West Scotland, Paisley PA1 2BE, Renfrew, Scotland. [Ahmad, I.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Urban, W (reprint author), Inst Max Von Laue Paul Langevin, BP 156, F-38042 Grenoble 9, France. EM urban@ill.fr; jentsch@ill.fr; materna@ill.fr; jolie@ikp.uni-koeln.de NR 49 TC 1 Z9 1 U1 0 U2 1 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0623-0 J9 AIP CONF PROC PY 2009 VL 1090 BP 494 EP + PG 3 WC Physics, Applied; Spectroscopy SC Physics; Spectroscopy GA BJC14 UT WOS:000264672000088 ER PT S AU Pain, SD Bardayan, DW Blackmon, JC Chae, KY Chipps, KA Cizewski, JA Hatarik, R Johnson, MS Jones, KL Kapler, R Kozub, RL Matei, C Moazen, BH Nesaraja, CD O'Malley, P Smith, MS Thomas, JS AF Pain, S. D. Bardayan, D. W. Blackmon, J. C. Chae, K. Y. Chipps, K. A. Cizewski, J. A. Hatarik, R. Johnson, M. S. Jones, K. L. Kapler, R. Kozub, R. L. Matei, C. Moazen, B. H. Nesaraja, C. D. O'Malley, P. Smith, M. S. Thomas, J. S. BE Blazhev, A Jolie, J Warr, N Zilges, A TI Development of the ORRUBA Silicon Detector Array SO CAPTURE GAMMA-RAY SPECTROSCOPY AND RELATED TOPICS SE AIP Conference Proceedings LA English DT Proceedings Paper CT 13th International Symposium on Capture Gamma-Ray Spectroscopy and Related Topics CY AUG 25-29, 2008 CL Univ Cologne, Inst Nucl Phys, Cologne, GERMANY HO Univ Cologne, Inst Nucl Phys DE Transfer reactions; neutron-rich nuclei; r-process; silicon detectors AB High quality radioactive beams have recently made possible the measurement of (d,p) reactions on unstable nuclei in inverse kinematics, which can yield information on the development of single-neutron structure away from stability, and are of astrophysical interest due to the proximity to suggested r-process paths. The Oak Ridge Rutgers University Barrel Array (ORRUBA) is a new high solid-angular coverage array, composed of two rings of silicon detectors, optimized for measuring (d,p) reactions. A partial implementation has been used to measure (d,p) reactions on nuclei around the N=82 shell closure. C1 [Pain, S. D.; Cizewski, J. A.; Hatarik, R.; O'Malley, P.; Thomas, J. S.] Rutgers State Univ, Dept Phys & Astron, New Brunswick, NJ 08903 USA. [Pain, S. D.; Bardayan, D. W.; Blackmon, J. C.; Nesaraja, C. D.] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. [Chae, K. Y.; Jones, K. L.; Kapler, R.; Moazen, B. H.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Chipps, K. A.] Colorado Sch Mines, Dept Phys, Golden, CO 80401 USA. [Johnson, M. S.; Matei, C.] Oak Ridge Associated Univ, Oak Ridge, TN 37830 USA. [Kozub, R. L.] Tennessee Technol Univ, Dept Phys, Cookeville, TN 38505 USA. RP Pain, SD (reprint author), Rutgers State Univ, Dept Phys & Astron, New Brunswick, NJ 08903 USA. EM painsd@ornl.gov; hatarikr@ornl.gov RI Jones, Katherine/B-8487-2011; Matei, Catalin/B-2586-2008; Pain, Steven/E-1188-2011 OI Jones, Katherine/0000-0001-7335-1379; Matei, Catalin/0000-0002-2254-3853; Nesaraja, Caroline/0000-0001-5571-8341; Pain, Steven/0000-0003-3081-688X FU U.S. Department of Energy [DE-FG52-03NA00143, DE-ACO5-000R22725, DE-FG02-96ER4095, DE-FG03-93-ER409835, DE-FG03-93ER40789]; National Science Foundation; LDRD program of ORNL FX This work was supported in part by the U.S. Department of Energy under contract numbers DE-FG52-03NA00143 (Rutgers, ORAU), DE-ACO5-000R22725 (ORNL), DE-FG02-96ER40955 (TTU), DE-FG03-93-ER40983 (UTK), DE-FG03-93ER40789 (Mines); the National Science Foundation; and the LDRD program of ORNL. NR 7 TC 0 Z9 0 U1 0 U2 1 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0623-0 J9 AIP CONF PROC PY 2009 VL 1090 BP 570 EP + PG 2 WC Physics, Applied; Spectroscopy SC Physics; Spectroscopy GA BJC14 UT WOS:000264672000102 ER PT J AU Bosman, M Keast, VJ Watanabe, M McCulloch, DG Shakerzadeh, M Teo, EHT Tay, BK AF Bosman, M. Keast, V. J. Watanabe, M. McCulloch, D. G. Shakerzadeh, M. Teo, E. H. T. Tay, B. K. TI Quantitative, nanoscale mapping Of sp(2) percentage and crystal orientation in carbon multilayers SO CARBON LA English DT Article ID TETRAHEDRAL AMORPHOUS-CARBON; CROSS-SECTIONAL STRUCTURE; MULTIVARIATE-ANALYSIS; SPECTRUM IMAGES; THIN-FILM; ENERGY; ACQUISITION AB Experimental and analytical techniques are introduced for the quantitative, nanoscale mapping of chemical bonding information in carbon-based materials. With these techniques, the spatial orientation of graphitic crystallites in tetrahedrally bonded amorphous carbon was imaged. Simultaneously, the percentage of sp(2-) and sp(3)-bonded carbon could be mapped quantitatively, all with spatial resolution of just a few nanometers. Two electron energy-loss spectroscopy (EELS) techniques were compared: low-loss mapping of the plasmon energy and core-loss mapping of the carbon ionization edge. The recently developed EELS acquisition routine of binned gain averaging was applied, together with multivariate statistical analysis, providing a robust method for obtaining real-space, two-dimensional bonding maps. (C) 2008 Elsevier Ltd. All rights reserved. C1 [Bosman, M.] ASTAR, Inst Microelect, Singapore 117685, Singapore. [Keast, V. J.] Univ Newcastle, Sch Math & Phys Sci, Callaghan, NSW 2308, Australia. [Watanabe, M.] Lawrence Berkeley Natl Lab, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA. [McCulloch, D. G.] RMIT Univ, Sch Appl Sci, Melbourne, Vic 3001, Australia. [Shakerzadeh, M.; Teo, E. H. T.; Tay, B. K.] Nanyang Technol Univ, Sch Elect & Elect Engn, Singapore 639798, Singapore. RP Bosman, M (reprint author), ASTAR, Inst Microelect, 11 Sci Pk Rd, Singapore 117685, Singapore. EM michel.bosman@gmail.com RI Tay, Beng Kang/A-5077-2011; McCulloch, Dougal/G-7039-2012; Teo, Hang Tong Edwin/E-9437-2015 OI Tay, Beng Kang/0000-0002-3776-3648; Teo, Hang Tong Edwin/0000-0003-0528-1764 NR 21 TC 19 Z9 19 U1 0 U2 16 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0008-6223 J9 CARBON JI Carbon PD JAN PY 2009 VL 47 IS 1 BP 94 EP 101 DI 10.1016/j.carbon.2008.09.033 PG 8 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 390DC UT WOS:000262143500012 ER PT J AU Upton, MH Klie, RF Hill, JP Gog, T Casa, D Ku, W Zhu, Y Sfeir, MY Misewich, J Eres, G Lowndes, D AF Upton, M. H. Klie, R. F. Hill, J. P. Gog, T. Casa, D. Ku, W. Zhu, Y. Sfeir, M. Y. Misewich, J. Eres, G. Lowndes, D. TI Effect of number of walls on plasmon behavior in carbon nanotubes SO CARBON LA English DT Article ID ENERGY-LOSS SPECTROSCOPY AB We investigate the physical parameters controlling the low-energy screening in carbon nanotubes via electron energy loss spectroscopy and inelastic X-ray scattering. Two plasmon-like features are observed, one near 9eV (the so-called pi plasmon) and one near 20 eV (the so-called pi + sigma plasmon). At large nanotube diameters, the pi + sigma plasmon energies are found to depend on the number of walls and not on the radius or chiral vector. The observed shift with number of walls indicates a change in the strength of the screening and in the effective interaction at inter-atomic distances; thus this result suggests a mechanism. for tuning the properties of nanotubes. Published by Elsevier Ltd. C1 [Upton, M. H.] Argonne Natl Lab, Adv Photon Source, IXS XOR, Argonne, IL 60439 USA. [Klie, R. F.] Univ Illinois, Dept Phys, Chicago, IL 60607 USA. [Hill, J. P.; Ku, W.; Zhu, Y.; Sfeir, M. Y.; Misewich, J.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. [Gog, T.; Casa, D.] Argonne Natl Lab, Adv Photon Source, CMC XOR, Argonne, IL 60439 USA. [Eres, G.; Lowndes, D.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37830 USA. RP Upton, MH (reprint author), Argonne Natl Lab, Adv Photon Source, IXS XOR, 9700 S Cass Ave,Bldg 438, Argonne, IL 60439 USA. EM mhupton@aps.anl.gov RI Hill, John/F-6549-2011; Casa, Diego/F-9060-2016; Eres, Gyula/C-4656-2017; OI Eres, Gyula/0000-0003-2690-5214; Sfeir, Matthew/0000-0001-5619-5722 NR 27 TC 9 Z9 9 U1 0 U2 11 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0008-6223 J9 CARBON JI Carbon PD JAN PY 2009 VL 47 IS 1 BP 162 EP 168 DI 10.1016/j.carbon.2008.09.044 PG 7 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 390DC UT WOS:000262143500020 ER PT S AU Post, WM Amonette, JE Birdsey, R Garten, CT Izaurralde, RC Jardine, PM Jastrow, J Lal, R Marland, G McCarl, BA Thomson, AM West, TO Wullschleger, SD Metting, FB AF Post, Wilfred M. Amonette, James E. Birdsey, Richard Garten, Charles T., Jr. Izaurralde, R. Cesar Jardine, Philip M. Jastrow, Julie Lal, Rattan Marland, Gregg McCarl, Bruce A. Thomson, Allison M. West, Tristram O. Wullschleger, Stan D. Metting, F. Blaine BE McPherson, BJ Sundquist, ET TI Terrestrial Biological Carbon Sequestration: Science for Enhancement and Implementation SO CARBON SEQUESTRATION AND ITS ROLE IN THE GLOBAL CARBON CYCLE SE Geophysical Monograph Series LA English DT Article; Book Chapter ID SOIL ORGANIC-MATTER; LAND-USE CHANGE; BLACK CARBON; HUMIC SUBSTANCES; USE EFFICIENCY; FOREST CARBON; UNITED-STATES; META ANALYSIS; CROP PLANTS; STABILIZATION AB The purpose of this chapter is to review terrestrial biological carbon sequestration and evaluate the potential carbon storage capacity if present and new techniques are more aggressively utilized. Photosynthetic CO2 capture from the atmosphere and storage of the C in aboveground and belowground biomass and in soil organic and inorganic forms can be exploited for safe and affordable greenhouse gas (GHG) mitigation [Watson et al., 2000]. Nevertheless, C sequestration in the terrestrial biosphere has not been seriously pursued since its introduction in the Kyoto Protocol over a decade ago. Concerns have been raised that C sequestration in the biosphere is finite and not permanent, that it is difficult to measure and monitor, that there would be "carbon leakage" outside of the mitigation activity, and that any attention paid to environmental sequestration would be a distraction from the central issue of reducing GHG emissions from energy production and use. International accord and success in reducing emissions from the energy system are not coming easily, and concerns about climate change are growing. It is time to reevaluate all available options that might not be permanent yet have the potential to buy time, bridging to a future when new energy system technologies and a transformed energy infrastructure can fully address the climate challenge. Terrestrial sequestration is one option large enough to make a contribution in the coming decades using proven land management methods and with the possibility that new technologies could significantly enhance the opportunity. C1 [Post, Wilfred M.; Garten, Charles T., Jr.; Jardine, Philip M.; Marland, Gregg; West, Tristram O.; Wullschleger, Stan D.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Birdsey, Richard] US Forest Serv, No Global Change Res Program, Newtown Sq, PA 19073 USA. [Amonette, James E.; Metting, F. Blaine] Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99352 USA. [McCarl, Bruce A.] Texas A&M Univ, Dept Agr Econ, College Stn, TX 77843 USA. [Lal, Rattan] Ohio State Univ, Sch Nat Resources, Columbus, OH 43210 USA. [Jastrow, Julie] Argonne Natl Lab, Div Environm Res, Argonne, IL 60439 USA. [Izaurralde, R. Cesar; Thomson, Allison M.] Pacific NW Natl Lab, Joint Global Change Res Inst, College Pk, MD 20740 USA. [Marland, Gregg] Int Inst Appl Syst Anal, A-2361 Laxenburg, Austria. RP Post, WM (reprint author), Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA. EM postwmiii@ornl.gov NR 131 TC 8 Z9 8 U1 0 U2 7 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0065-8448 BN 978-0-87590-448-1 J9 GEOPHYS MONOGR SER PY 2009 VL 183 BP 73 EP 88 DI 10.1029/2008GM000753 D2 10.1029/GM183 PG 16 WC Geochemistry & Geophysics; Meteorology & Atmospheric Sciences SC Geochemistry & Geophysics; Meteorology & Atmospheric Sciences GA BOG53 UT WOS:000276577500006 ER PT S AU Fessenden, JE Stauffer, PH Viswanathan, HS AF Fessenden, Julianna E. Stauffer, Philip H. Viswanathan, Hari S. BE McPherson, BJ Sundquist, ET TI Natural Analogs of Geologic CO2 Sequestration: Some General Implications for Engineered Sequestration SO CARBON SEQUESTRATION AND ITS ROLE IN THE GLOBAL CARBON CYCLE SE Geophysical Monograph Series LA English DT Article; Book Chapter ID BENEATH MAMMOTH MOUNTAIN; YELLOWSTONE VOLCANIC SYSTEM; CARBON-DIOXIDE; MAGMATIC CO2; NEW-MEXICO; NATIONAL-PARK; NOBLE-GASES; NEW-ZEALAND; TREE-KILL; CALIFORNIA AB Carbon dioxide emissions from geologic systems occur primarily from geothermal release of carbon in rock or subsurface biologic reservoirs. These systems can be very useful natural analogs for evaluating the impact of carbon dioxide leaks from engineered geologic storage reservoirs used to sequester CO2. We describe three natural analog sites that illustrate very different leak scenarios that could occur at such engineered repositories. The Mammoth Mountain site, located in California, provides an example of diffuse CO2 seepage. Crystal Geyser, Utah, is an example of a highly focused, episodic leakage geyser. Bravo Dome, NM, is an example of a CO2 reservoir where no leakage has been observed. We discuss monitoring techniques, technology placement, and modeling approaches that can be used at these natural analog sites to gain further insight into the viability of geologic CO2 sequestration. C1 [Fessenden, Julianna E.; Stauffer, Philip H.; Viswanathan, Hari S.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Fessenden, JE (reprint author), Los Alamos Natl Lab, MS D462, Los Alamos, NM 87545 USA. EM julianna@lanl.gov OI Stauffer, Philip/0000-0002-6976-221X NR 87 TC 5 Z9 5 U1 0 U2 2 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0065-8448 BN 978-0-87590-448-1 J9 GEOPHYS MONOGR SER PY 2009 VL 183 BP 135 EP 146 DI 10.1029/2006GM000384 D2 10.1029/GM183 PG 12 WC Geochemistry & Geophysics; Meteorology & Atmospheric Sciences SC Geochemistry & Geophysics; Meteorology & Atmospheric Sciences GA BOG53 UT WOS:000276577500011 ER PT S AU Doughty, C Myer, LR AF Doughty, Christine Myer, Larry R. BE McPherson, BJ Sundquist, ET TI Scoping Calculations on Leakage of CO2 in Geologic Storage: The Impact of Overburden Permeability, Phase Trapping, and Dissolution SO CARBON SEQUESTRATION AND ITS ROLE IN THE GLOBAL CARBON CYCLE SE Geophysical Monograph Book Series LA English DT Article; Book Chapter ID GOVERNING MULTIPHASE FLOW; CARBON-DIOXIDE; AQUIFER DISPOSAL; SALINE AQUIFERS; POROUS-MEDIA; SIMULATION; RESERVOIR; SEQUESTRATION; TRANSPORT; MODEL AB The purpose of this chapter is to examine fundamental aspects of potential leakage of CO2 from geological sequestration reservoirs. Numerical simulations of fluid and heat flow are conducted to evaluate the rate at which a plume of CO2 moves upward through the subsurface and the amounts of dissolution and phase trapping (called "residual gas trapping" in other chapters) that occur along the way. A quantity of CO2 is injected into a 1000-m deep, 100-m thick permeable formation saturated with saline water, where it forms an immiscible, supercritical fluid phase and partially dissolves in the aqueous phase. As the supercritical CO2 moves upward, it smoothly transitions into a gas. Between the injection interval and the ground surface, the overburden is assumed to be homogeneous. For overburden vertical permeabilities of 100 md (similar to 10(-13) m(2)), 10 md (similar to 10(-14) m(2)), and 1 md (similar to 10(-15) m(2)), using a numerical simulator that incorporates hysteretic relative permeability and capillary pressure functions, 1000-year simulations are conducted. For each permeability, simulations are carried out for a range of maximum residual gas saturations (S-grmax) which plays a key role in phase trapping and is poorly known for aqueous/CO2 systems. The time required for the CO2 plume to reach the surface increases with decreasing overburden permeability and increasing S-grmax. Tradeoffs exist between three key mechanisms for CO2 trapping: stratigraphic trapping, phase trapping, and dissolution trapping. Low overburden permeability promotes stratigraphic trapping but hinders phase or residual gas trapping and dissolution trapping by keeping the CO2 plume compact. High overburden permeability enables the plume to move upward more readily, but any attendant spreading promotes phase and dissolution trapping. A large value of S-grmax promotes phase trapping but hinders dissolution trapping by minimizing contact between brine and immiscible (free-phase) CO2. Additional simulations, including a high-permeability conduit in an otherwise low-permeability overburden, provide insights into the effects of geologic heterogeneity, which can greatly shorten the time required to reach the surface. C1 [Doughty, Christine; Myer, Larry R.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Doughty, C (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, 1 Cyclotron Rd,MS 90-1116, Berkeley, CA 94720 USA. EM cadoughty@lbl.gov RI Doughty, Christine/G-2389-2015 NR 33 TC 7 Z9 7 U1 0 U2 2 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0065-8448 BN 978-0-87590-448-1 J9 GEOPHYS MONOGR SER PY 2009 VL 183 BP 217 EP 237 DI 10.1029/2005GM000343 D2 10.1029/GM183 PG 21 WC Geochemistry & Geophysics; Meteorology & Atmospheric Sciences SC Geochemistry & Geophysics; Meteorology & Atmospheric Sciences GA BOG53 UT WOS:000276577500017 ER PT S AU Kaszuba, JP Janecky, DR AF Kaszuba, John P. Janecky, David R. BE McPherson, BJ Sundquist, ET TI Geochemical Impacts of Sequestering Carbon Dioxide in Brine Formations SO CARBON SEQUESTRATION AND ITS ROLE IN THE GLOBAL CARBON CYCLE SE Geophysical Monograph Series LA English DT Article; Book Chapter ID AQUIFER DISPOSAL; SYSTEM H2O-CO2-NACL; SEDIMENTARY BASINS; HIGH TEMPERATURES; GEOLOGIC SYSTEMS; GREENHOUSE GASES; PHASE-RELATIONS; HIGH-PRESSURES; CLIMATE-CHANGE; RANGELY FIELD AB The purpose of this chapter is to lay out potential geochemical impacts of geologic sequestration. Injection of supercritical carbon dioxide into a brine formation shifts rock-dominated reaction systems to fluid-dominated systems controlled by acid-generating reactions and mixed-fluid equilibria. Increased carbonic acid content in the brine reduces the pH of in situ brine by approximately 1.5-4 pH units, depending on brine chemistry, formation lithology, and temperature, to a pH value between 3.5 and 4. Alkalinity is also produced by reaction of carbonic acid with reservoir minerals, but alkalinity of in situ brine cannot overcome the acidity produced by dissolution of supercritical carbon dioxide fluid. Analysis suggests that displacement of brine as injection proceeds will lead to separation from supercritical carbon dioxide fluid and loss of saturated carbon dioxide, wherein alkalinity can neutralize the acidity, yielding near-neutral to alkaline pH. Silica concentrations and dissolution rates will become enhanced, whereas silica precipitation is inhibited by acidic brine. Acidified brine will also react with both reservoir rock and caprock, enriching the brine in metal cations and creating alkalinity. As silica-supersaturated, metal-laden brine migrates into areas without carbon dioxide, in situ monitoring can be used to indicate repository performance. Return of silica-supersaturated brine to a rock-dominated reaction system buffered to neutral pH conditions may enhance precipitation of quartz, chalcedony, or amorphous silica. Reaction kinetics among supercritical carbon dioxide, brine, and rock are comparable to rates in systems containing gaseous carbon dioxide. C1 [Kaszuba, John P.; Janecky, David R.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Kaszuba, JP (reprint author), Univ Wyoming, Dept Geol & Geophys, Laramie, WY 82071 USA. EM john.kaszuba@uwyo.edu NR 33 TC 12 Z9 12 U1 0 U2 6 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0065-8448 BN 978-0-87590-448-1 J9 GEOPHYS MONOGR SER PY 2009 VL 183 BP 239 EP 247 DI 10.1029/2006GM000353 D2 10.1029/GM183 PG 9 WC Geochemistry & Geophysics; Meteorology & Atmospheric Sciences SC Geochemistry & Geophysics; Meteorology & Atmospheric Sciences GA BOG53 UT WOS:000276577500018 ER PT S AU Monea, M Knudsen, R Worth, K Chalaturnyk, R White, D Wilson, M Plasynski, S McIlvried, HG Srivastava, RD AF Monea, Mike Knudsen, Ray Worth, Kyle Chalaturnyk, Rick White, Don Wilson, Malcolm Plasynski, Sean McIlvried, Howard G. Srivastava, Rameshwar D. BE McPherson, BJ Sundquist, ET TI Considerations for Monitoring, Verification, and Accounting for Geologic Storage of CO2 SO CARBON SEQUESTRATION AND ITS ROLE IN THE GLOBAL CARBON CYCLE SE Geophysical Monograph Series LA English DT Article; Book Chapter ID SEQUESTRATION-PARTNERSHIPS PROGRAM AB Growing concern over the impact of increasing concentrations of greenhouse gases (GHGs), especially carbon dioxide (CO2), in the atmosphere has led to suggested mitigation techniques. One proposal that is attracting widespread attention is carbon capture and storage (CCS). This mitigation approach involves capture of CO2 and permanent storage in geologic formations, such as oil and gas reservoirs, deep saline formations, and unmineable coal seams. Critical to the successful implementation of this approach is the development of a robust monitoring, verification, and accounting (MVA) program. Defining the site characteristics of a proposed geologic storage project is the first step in developing a monitoring program. Following site characterization, the second step involves developing hypothetical models describing important mechanisms that control the behavior of injected CO2. A wide array of advanced monitoring technologies is currently being evaluated by the Weyburn-Midale Project, the Frio Project, and the U.S. Department of Energy's Regional Carbon Sequestration Partnerships Program. These efforts are evaluating and determining which monitoring techniques are most effective and economic for specific geologic situations, information that will be vital in guiding future projects. Although monitoring costs can run into millions of dollars, they are typically only a small part of the overall cost of a CO2 storage project. Ultimately, a robust MVA program will be critical in establishing CCS as a viable GHG mitigation strategy. C1 [Monea, Mike; Knudsen, Ray; Worth, Kyle] Petr Technol Res Ctr, Regina, SK S4S 7J7, Canada. [Plasynski, Sean] US DOE, Pittsburgh, PA USA. [McIlvried, Howard G.; Srivastava, Rameshwar D.] Sci Applicat Int Corp, Pittsburgh, PA 15251 USA. [Wilson, Malcolm] Univ Regina, Regina, SK S4S 0A2, Canada. [White, Don] Geol Survey Canada, Ottawa, ON K1A 0E8, Canada. [Chalaturnyk, Rick] Univ Alberta, Edmonton, AB T6G 2R3, Canada. RP Monea, M (reprint author), Canada Capital Energy Corp CCEC, 1900 1881 Scarth St, Regina, SK S4P 4K9, Canada. EM sean.plasynski@netl.doe.gov NR 31 TC 4 Z9 5 U1 1 U2 1 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0065-8448 BN 978-0-87590-448-1 J9 GEOPHYS MONOGR SER PY 2009 VL 183 BP 303 EP 316 DI 10.1029/2006GM000484 D2 10.1029/GM183 PG 14 WC Geochemistry & Geophysics; Meteorology & Atmospheric Sciences SC Geochemistry & Geophysics; Meteorology & Atmospheric Sciences GA BOG53 UT WOS:000276577500023 ER PT S AU Cook, RB Post, WM Hook, LA McCord, RA AF Cook, Robert B. Post, Wilfred M. Hook, Leslie A. McCord, Raymond A. BE McPherson, BJ Sundquist, ET TI A Conceptual Framework for Management of Carbon Sequestration Data and Models SO CARBON SEQUESTRATION AND ITS ROLE IN THE GLOBAL CARBON CYCLE SE Geophysical Monograph Series LA English DT Article; Book Chapter ID LAND-USE CHANGE; SOIL CARBON; META ANALYSIS; METAANALYSIS; EXCHANGE; NITROGEN; DIOXIDE; SPECIFICATIONS; SENSITIVITY; ECOSYSTEMS AB The purpose of this chapter is to provide an overview of data management options and recommendations for different forms of carbon sequestration, based on results of previous major data system efforts. Data management systems are essential for preserving the primary information from carbon sequestration observations, experiments, and management activities, and making them available for others to build upon. This chapter outlines a conceptual framework for carbon sequestration data management, a first step in capturing the information that can lead to archives organized in a way that is useful for synthesis and integration activities. This framework will also inform carbon resource managers about sequestration processes and efficacy from local to global scales. C1 [Cook, Robert B.; Post, Wilfred M.; Hook, Leslie A.; McCord, Raymond A.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Cook, RB (reprint author), Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA. EM cookrb@ornl.gov OI McCord, Raymond/0000-0002-9182-4288; Cook, Robert/0000-0001-7393-7302 NR 45 TC 1 Z9 1 U1 0 U2 0 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0065-8448 BN 978-0-87590-448-1 J9 GEOPHYS MONOGR SER PY 2009 VL 183 BP 325 EP 333 DI 10.1029/2008GM000713 D2 10.1029/GM183 PG 9 WC Geochemistry & Geophysics; Meteorology & Atmospheric Sciences SC Geochemistry & Geophysics; Meteorology & Atmospheric Sciences GA BOG53 UT WOS:000276577500025 ER PT J AU Delbem, ACB Sassaki, KT Vieira, AEM Rodrigues, E Bergamaschi, M Stock, SR Cannon, ML Xiao, X De Carlo, F Delbem, ACB AF Delbem, A. C. B. Sassaki, K. T. Vieira, A. E. M. Rodrigues, E. Bergamaschi, M. Stock, S. R. Cannon, M. L. Xiao, X. De Carlo, F. Delbem, A. C. B. TI Comparison of Methods for Evaluating Mineral Loss: Hardness versus Synchrotron Microcomputed Tomography SO CARIES RESEARCH LA English DT Article DE Bovine enamel; Hardness; In vitro; Synchrotron microcomputed tomography ID IN-VITRO EVALUATION; ADVANCED-PHOTON-SOURCE; X-RAY MICROTOMOGRAPHY; LOW FLUORIDE CONTENT; ENAMEL LESIONS; CARIOUS LESIONS; TOOTH ENAMEL; BOVINE; DEMINERALIZATION; MICROHARDNESS AB This study analyzed degrees of demineralization in bovine enamel using synchrotron microcomputed tomography (SMCT) and hardness measurements (Knoop hardness number, KHN). For 5 days, 40 bovine enamel blocks were individually subjected to a pH cycling model and treatment with fluoride dentifrices (placebo, 275, 550 and 1,100 mu g F/g) diluted in deionized water twice a day. Surface hardness number and cross-sectional profiles of hardness and mineral concentration (by SMCT) were determined. Integrated hardness (KHN x mu m) for sound and demineralized specimens was calculated and subtracted to give the integrated loss of hardness (Delta KHN) for the lesions. Increasing fluoride concentration in the dentifrices led to higher values for surface hardness after pH cycling and mineral concentration (g(HAp) cm(-3)), and lower values for Delta KHN (p < 0.05). From the present results, it may be concluded that hardness measurements revealed demineralization in all groups, which was lower in groups treated with dentifrice with a higher F concentration. SMCT and hardness measurements gave similar results in areas with higher demineralization, but diverged in areas with lower demineralization. Copyright (C) 2009 S. Karger AG, Basel C1 [Delbem, A. C. B.] Sao Paulo State Univ, UNESP, Fac Odontol Aracatuba, Disciplina Odontopediat,Dept Pediat Dent, BR-16015050 Aracatuba, SP, Brazil. [Stock, S. R.] Northwestern Univ, Feinberg Sch Med, Evanston, IL 60208 USA. [Cannon, M. L.] Childrens Mem Med Ctr, Chicago, IL USA. [Xiao, X.; De Carlo, F.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Delbem, A. C. B.] USP, ICMC, Dept Comp Syst, Sao Carlos, SP, Brazil. RP Delbem, ACB (reprint author), Sao Paulo State Univ, UNESP, Fac Odontol Aracatuba, Disciplina Odontopediat,Dept Pediat Dent, Rua Jose Bonifacio 1193, BR-16015050 Aracatuba, SP, Brazil. EM adelbem@foa.unesp.br RI Delbem, Alberto/E-8621-2012; Rodrigues, Eliana/E-4463-2013; Delbem, Alexandre/A-9287-2008 OI Delbem, Alberto/0000-0002-8159-4853; Rodrigues, Eliana/0000-0001-5503-4257; Delbem, Alexandre/0000-0003-1810-1742 FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX The authors thank Sara Lee Household and Body Care Research (The Netherlands) and Natura Cosmeticos S/A for manufacturing the fluoride dentifrices. Use of the Advanced Photon Source was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. NR 32 TC 18 Z9 20 U1 1 U2 9 PU KARGER PI BASEL PA ALLSCHWILERSTRASSE 10, CH-4009 BASEL, SWITZERLAND SN 0008-6568 J9 CARIES RES JI Caries Res. PY 2009 VL 43 IS 5 BP 359 EP 365 DI 10.1159/000231573 PG 7 WC Dentistry, Oral Surgery & Medicine SC Dentistry, Oral Surgery & Medicine GA 497UE UT WOS:000270087400006 PM 19648747 ER PT S AU Elliott, SR Aalseth, CE Akashi-Ronquest, M Amman, M Amsbaugh, JF Avignone, FT Back, HO Baktash, C Barabash, AS Barbeau, P Beene, JR Bergevin, M Bertrand, FE Boswell, M Brudanin, V Bugg, W Burritt, TH Chan, YD Cianciolo, TV Collar, J Creswick, R Cromaz, M Detwiler, JA Doe, PJ Dunmore, JA Efremenko, Y Egorov, V Ejiri, H Ely, J Esterline, J Farach, H Farmer, T Fast, J Finnerty, P Fujikawa, B Gehman, VM Greenberg, C Guiseppe, VE Gusey, K Hallin, AL Hazama, R Henning, R Hime, A Hossbach, T Hoppe, E Howe, MA Hurley, D Hyronimus, B Johnson, RA Keillor, M Keller, C Kephart, J Kidd, M Kochetov, O Konovalov, SI Kouzes, RT Lesko, KT Leviner, L Luke, P MacMullin, S Marino, MG McDonald, AB Mei, DM Miley, HS Myers, AW Nomachi, M Odom, B Orrell, J Poon, AWP Prior, G Radford, DC Reeves, JH Rielage, K Riley, N Robertson, RGH Rodriguez, L Rykaczewski, KP Schubert, AG Shima, T Shirchenko, M Timkin, V Thompson, R Tornow, W Tull, C Van Wechel, TD Vanyushin, I Varner, RL Vetter, K Warner, R Wilkerson, JF Wouters, JM Yakushev, E Young, AR Yu, CH Yumatov, V Yin, ZB AF Elliott, S. R. Aalseth, C. E. Akashi-Ronquest, M. Amman, M. Amsbaugh, J. F. Avignone, F. T., III Back, H. O. Baktash, C. Barabash, A. S. Barbeau, P. Beene, J. R. Bergevin, M. Bertrand, F. E. Boswell, M. Brudanin, V. Bugg, W. Burritt, T. H. Chan, Y-D. Cianciolo, T. V. Collar, J. Creswick, R. Cromaz, M. Detwiler, J. A. Doe, P. J. Dunmore, J. A. Efremenko, Yu. Egorov, V. Ejiri, H. Ely, J. Esterline, J. Farach, H. Farmer, T. Fast, J. Finnerty, P. Fujikawa, B. Gehman, V. M. Greenberg, C. Guiseppe, V. E. Gusey, K. Hallin, A. L. Hazama, R. Henning, R. Hime, A. Hossbach, T. Hoppe, E. Howe, M. A. Hurley, D. Hyronimus, B. Johnson, R. A. Keillor, M. Keller, C. Kephart, J. Kidd, M. Kochetov, O. Konovalov, S. I. Kouzes, R. T. Lesko, K. T. Leviner, L. Luke, P. MacMullin, S. Marino, M. G. McDonald, A. B. Mei, D-M. Miley, H. S. Myers, A. W. Nomachi, M. Odom, B. Orrell, J. Poon, A. W. P. Prior, G. Radford, D. C. Reeves, J. H. Rielage, K. Riley, N. Robertson, R. G. H. Rodriguez, L. Rykaczewski, K. P. Schubert, A. G. Shima, T. Shirchenko, M. Timkin, V. Thompson, R. Tornow, W. Tull, C. Van Wechel, T. D. Vanyushin, I. Varner, R. L. Vetter, K. Warner, R. Wilkerson, J. F. Wouters, J. M. Yakushev, E. Young, A. R. Yu, C-H. Yumatov, V. Yin, Z-B. BE Avignone, F Creswick, R Kubodera, K Purohit, M TI The MAJORANA Project SO CAROLINA INTERNATIONAL SYMPOSIUM ON NEUTRINO PHYSICS SE Journal of Physics Conference Series LA English DT Proceedings Paper CT Carolina International Symposium on Neutrino Physics CY MAY 15-17, 2008 CL Univ S Carolina, Dept Phys, Columbia, NC SP S Carolina EPSCoR IDeA Program, Oak Ridge Assoc Univ HO Univ S Carolina, Dept Phys ID DOUBLE-BETA-DECAY; NEUTRINO MASS; DETECTOR; EVENTS AB Building a 0 nu beta beta experiment with the ability to probe neutrino mass in the inverted hierarchy region requires the combination of a large detector mass sensitive to 0 nu beta beta, on the order of 1-tonne, and unprecedented background levels, on the order of or less than I count per year in the 0 nu beta beta signal region. The MAJORANA Collaboration proposes a design based on using high-purity enriched Ge-76 crystals deployed in ultra, low background electroformed Cu cryostats and using modern analysis techniques that should be capable of reaching the required sensitivity while also being scalable to a 1-tonne size. To demonstrate feasibility, the collaboration plans to construct a prototype system, the MAJORANA DEMONSTRATOR, consisting of 30 kg of 86% enriched Ge-76 detectors and 30 kg of natural or isotope-76-depleted Ge detectors. We plan to deploy and evaluate two different Ge detector technologies, one based on a p-type configuration and the other on n-type. C1 [Elliott, S. R.; Aalseth, C. E.; Akashi-Ronquest, M.; Amman, M.; Amsbaugh, J. F.; Avignone, F. T., III; Back, H. O.; Baktash, C.; Barabash, A. S.; Barbeau, P.; Beene, J. R.; Bergevin, M.; Bertrand, F. E.; Boswell, M.; Brudanin, V.; Bugg, W.; Burritt, T. H.; Chan, Y-D.; Cianciolo, T. V.; Collar, J.; Creswick, R.; Cromaz, M.; Detwiler, J. A.; Doe, P. J.; Dunmore, J. A.; Efremenko, Yu.; Egorov, V.; Ejiri, H.; Ely, J.; Esterline, J.; Farach, H.; Farmer, T.; Fast, J.; Finnerty, P.; Fujikawa, B.; Gehman, V. M.; Greenberg, C.; Guiseppe, V. E.; Gusey, K.; Hallin, A. L.; Hazama, R.; Henning, R.; Hime, A.; Hossbach, T.; Hoppe, E.; Howe, M. A.; Hurley, D.; Hyronimus, B.; Johnson, R. A.; Keillor, M.; Keller, C.; Kephart, J.; Kidd, M.; Kochetov, O.; Konovalov, S. I.; Kouzes, R. T.; Lesko, K. T.; Leviner, L.; Luke, P.; MacMullin, S.; Marino, M. G.; McDonald, A. B.; Mei, D-M.; Miley, H. S.; Myers, A. W.; Nomachi, M.; Odom, B.; Orrell, J.; Poon, A. W. P.; Prior, G.; Radford, D. C.; Reeves, J. H.; Rielage, K.; Riley, N.; Robertson, R. G. H.; Rodriguez, L.; Rykaczewski, K. P.; Schubert, A. G.; Shima, T.; Shirchenko, M.; Timkin, V.; Thompson, R.; Tornow, W.; Tull, C.; Van Wechel, T. D.; Vanyushin, I.; Varner, R. L.; Vetter, K.; Warner, R.; Wilkerson, J. F.; Wouters, J. M.; Yakushev, E.; Young, A. R.; Yu, C-H.; Yumatov, V.; Yin, Z-B.] Los Alamos Natl Lab, Div Phys, Los Alamos, NM 87545 USA. RP Elliott, SR (reprint author), Los Alamos Natl Lab, Div Phys, Los Alamos, NM 87545 USA. EM elliotts@lanl.gov RI Hallin, Aksel/H-5881-2011; radford, David/A-3928-2015; Barabash, Alexander/S-8851-2016; OI Odom, Brian/0000-0002-3992-8864; Keillor, Martin/0000-0001-7828-5868; Wilkerson, John/0000-0002-0342-0217; Marino, Michael/0000-0003-1226-6036; Rielage, Keith/0000-0002-7392-7152 NR 27 TC 12 Z9 12 U1 0 U2 6 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2009 VL 173 AR 012007 DI 10.1088/1742-6596/173/1/012007 PG 9 WC Physics, Multidisciplinary; Physics, Nuclear SC Physics GA BMT75 UT WOS:000273557500007 ER PT S AU Kayser, B AF Kayser, Boris BE Avignone, F Creswick, R Kubodera, K Purohit, M TI Are Neutrinos Their Own Antiparticles? SO CAROLINA INTERNATIONAL SYMPOSIUM ON NEUTRINO PHYSICS SE Journal of Physics Conference Series LA English DT Proceedings Paper CT Carolina International Symposium on Neutrino Physics CY MAY 15-17, 2008 CL Univ S Carolina, Dept Phys, Columbia, NC SP S Carolina EPSCoR/IDeA Proram, Oak Ridge Assoc Univ HO Univ S Carolina, Dept Phys ID DOUBLE-BETA-DECAY AB We explain the relationship between Majorana neutrinos, which are their own antiparticles, and Majorana neutrino masses. We point out that Majorana masses would make the neutrinos very distinctive particles, and explain why many theorists strongly suspect that neutrinos do have Majorana masses. The promising approach to confirming this suspicion is to seek neutrinoless double beta decay. We introduce a toy model that illustrates why this decay requires nonzero neutrino masses, even when there are both right-handed and left-handed weak currents. C1 Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Kayser, B (reprint author), Fermilab Natl Accelerator Lab, MS 106,POB 500, Batavia, IL 60510 USA. EM boris@fnal.gov NR 5 TC 2 Z9 2 U1 0 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2009 VL 173 AR 012013 DI 10.1088/1742-6596/173/1/012013 PG 8 WC Physics, Multidisciplinary; Physics, Nuclear SC Physics GA BMT75 UT WOS:000273557500013 ER PT S AU Louis, WC AF Louis, William C. BE Avignone, F Creswick, R Kubodera, K Purohit, M TI Searching for Physics Beyond the Standard Model with Accelerator Neutrino Experiments SO CAROLINA INTERNATIONAL SYMPOSIUM ON NEUTRINO PHYSICS SE Journal of Physics Conference Series LA English DT Proceedings Paper CT Carolina International Symposium on Neutrino Physics CY MAY 15-17, 2008 CL Univ S Carolina, Dept Phys, Columbia, NC SP S Carolina EPSCoR/IDeA Proram, Oak Ridge Assoc Univ HO Univ S Carolina, Dept Phys ID LSND EXPERIMENT; OSCILLATIONS AB The MiniBooNE experiment at Fermilab was designed to test the LSND evidence for (nu) over bar (mu) -> (nu) over bar (e). oscillations [1]. The first MiniBooNE oscillation result in neutrino mode [2] shows no significant excess of events at higher energies (E(nu) > 475 MeV), although a sizeable excess is observed at lower energies (E(nu) < 475 MeV). The lack of a significant excess at higher energies allows MiniBooNE to rule out simple 2 - nu oscillations as an explanation of the LSND signal. However, the low-energy excess is presently unexplained. Additional antineutrino data and NuMI data may allow the collaboration to determine whether the excess is due, for example, to a neutrino neutral-current radiative interaction [3] or to neutrino oscillations involving sterile neutrinos [4, 5, 6]. If the excess is consistent with being due to sterile neutrinos, then future experiments at FNAL (NficroBooNE & BooNE) or ORNL (OscSNS) could confirm their existence. C1 LANL, Div Phys, Los Alamos, NM 87545 USA. RP Louis, WC (reprint author), LANL, Div Phys, Los Alamos, NM 87545 USA. EM louis@lanl.gov OI Louis, William/0000-0002-7579-3709 NR 18 TC 0 Z9 0 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2009 VL 173 AR 012017 DI 10.1088/1742-6596/173/1/012017 PG 9 WC Physics, Multidisciplinary; Physics, Nuclear SC Physics GA BMT75 UT WOS:000273557500017 ER PT S AU Serpico, PD AF Serpico, Pasquale D. BE Avignone, F Creswick, R Kubodera, K Purohit, M TI Neutrinos and Cosmology: a Lifetime relationship SO CAROLINA INTERNATIONAL SYMPOSIUM ON NEUTRINO PHYSICS SE Journal of Physics Conference Series LA English DT Proceedings Paper CT Carolina International Symposium on Neutrino Physics CY MAY 15-17, 2008 CL Univ S Carolina, Dept Phys, Columbia, NC SP S Carolina EPSCoR/IDeA Proram, Oak Ridge Assoc Univ HO Univ S Carolina, Dept Phys ID MASSIVE NEUTRINOS; FIRAS; DECAY AB We consider the example of neutrino decays to illustrate the profound relation between laboratory neutrino physics and cosmology. Two case studies are presented: In the first one, we show how the high precision cosmic microwave background spectral data collected by the FIRAS instrument on board of COBE, when combined with Lab data, have greatly changed bounds on the radiative neutrino lifetime. In the second case, we speculate on the consequence for neutrino physics of the cosmological detection of neutrino masses even as small as similar to 0.06 eV, the lower limit guaranteed by neutrino oscillation experiments. We show that a detection at that level would improve by many orders of magnitude the existing limits on neutrino lifetime, and as a consequence on some models of neutrino secret interactions. C1 Fermilab Natl Accelerator Lab, Ctr Particle Astrophys, Batavia, IL 60510 USA. RP Serpico, PD (reprint author), Fermilab Natl Accelerator Lab, Ctr Particle Astrophys, POB 500, Batavia, IL 60510 USA. EM serpico@fnal.gov NR 32 TC 0 Z9 0 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2009 VL 173 AR 012018 DI 10.1088/1742-6596/173/1/012018 PG 10 WC Physics, Multidisciplinary; Physics, Nuclear SC Physics GA BMT75 UT WOS:000273557500018 ER PT S AU Rohrer, B AF Rohrer, Brandon BE McGinty, L Wilson, DC TI S-Learning: A Model-Free, Case-Based Algorithm for Robot Learning and Control SO CASE-BASED REASONING RESEARCH AND DEVELOPMENT, PROCEEDINGS SE Lecture Notes in Artificial Intelligence LA English DT Proceedings Paper CT 8th International Conference on Case-Based Reasoning CY JUL 20-23, 2009 CL Seattle, WA SP Boeing Co, DARPA, IPTO, Empolis, US Naval Res Lab, Verdande Technol ID SPACES AB A model-free, case-based learning and control algorithm called S-learning is described as implemented in a simulation of a light-seeking mobile robot. S-learning demonstrated learning of robotic and environmental structure sufficient to allow it to achieve its goal (reaching a light source). No modeling information about the task or calibration information about the robot's actuators and sensors were used in S-learning's planning. The ability of S-learning to make movement plans was completely dependent on experience it gained as it explored. Initially it. had no experience and was forced to wander randomly. With increasing exposure to the task, S-learning achieved its goal with more nearly optimal paths. The fact that this approach is model-free and case-based implies that it may be applied to many other systems, perhaps even to systems of much greater complexity. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Rohrer, B (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM brrohre@sandia.gov NR 14 TC 1 Z9 1 U1 0 U2 1 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-642-02997-4 J9 LECT NOTES ARTIF INT PY 2009 VL 5650 BP 285 EP 297 PG 13 WC Computer Science, Artificial Intelligence; Computer Science, Theory & Methods SC Computer Science GA BLX75 UT WOS:000271335600021 ER PT J AU Ji, YY Toops, TJ Crocker, M AF Ji, Yaying Toops, Todd J. Crocker, Mark TI Effect of Ceria on the Sulfation and Desulfation Characteristics of a Model Lean NO (x) Trap Catalyst SO CATALYSIS LETTERS LA English DT Article DE Lean NO(x) trap; NO(x) adsorber; Sulfation; Desulfation; Ceria ID STORAGE-REDUCTION CATALYST; IN-SITU FTIR; PT/BA/AL2O3 CATALYST; NSR CATALYSTS; SULFUR; REGENERATION; SO2; DEACTIVATION; SPECTROSCOPY; RESISTANCE AB The effect of ceria addition on the sulfation and desulfation characteristics of a model Ba-based lean NO (x) trap (LNT) catalyst was studied. According to DRIFTS and NO (x) storage capacity measurements, ceria is able to store sulfur during catalyst exposure to SO(2), thereby helping to limit sulfation of the main (Ba) NO (x) storage phase and maintain NO (x) storage capacity. Temperature programmed desulfation experiments revealed that desulfation of a model ceria-containing catalyst occurred in two stages, corresponding to sulfur elimination from the ceria phase at 450 A degrees C, followed by sulfur loss from the Ba phase at 650 A degrees C. Significantly, the ceria-containing catalyst displayed relatively lower sulfur evolution from the Ba phase than its non-ceria analog, confirming that the presence of ceria lessened the degree of sulfur accumulation on the Ba phase. C1 [Ji, Yaying; Crocker, Mark] Univ Kentucky, Ctr Appl Energy Res, Lexington, KY 40511 USA. [Toops, Todd J.] Fuels Engines & Emiss Res Ctr, Oak Ridge Natl Lab, Knoxville, TN 37932 USA. RP Crocker, M (reprint author), Univ Kentucky, Ctr Appl Energy Res, 2540 Res Pk Dr, Lexington, KY 40511 USA. EM crocker@caer.uky.edu RI Crocker, Mark/A-2704-2008 FU U.S. Department of Energy [DE-FC26-5NT42631] FX This publication was prepared with the support of the U.S. Department of Energy, under Award No. DE-FC26-5NT42631. However, any opinions, findings, conclusions, or recommendations expressed herein are those of the authors and do not necessarily reflect the views of the DOE. NR 43 TC 14 Z9 15 U1 3 U2 24 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1011-372X J9 CATAL LETT JI Catal. Lett. PD JAN PY 2009 VL 127 IS 1-2 BP 55 EP 62 DI 10.1007/s10562-008-9759-z PG 8 WC Chemistry, Physical SC Chemistry GA 385AX UT WOS:000261786400010 ER PT B AU Jacobson, SE Abrams, L Jones, G Zhang, L White, JF AF Jacobson, Stephen E. Abrams, Lloyd Jones, Glover Zhang, Lei White, James F. BE Prunier, ML TI Novel Hydrogenolysis Route to Perfluoroalkyl Ethane Thiols SO CATALYSIS OF ORGANIC REACTIONS SE Chemical Industries LA English DT Proceedings Paper CT 22nd Conference on Catalysis of Organic Reactions CY MAR 30-APR 03, 2008 CL Richmond, VA SP Organ React Catalysis Soc, Avantium, BASF Catalysis LLC, Eli Lilly, Evonik Degussa Corp, WR Grace, Davison Catalysts, Parr Instrument, Air Prod, Amgen, Eastman, Umicore, Bristol Myers Squibb, DuPont, Headwaters, HEI, Lummus Technol, OMG, Seton Hall Univ, Sud Chem ID CATALYSTS; CARBON; PLATINUM AB We have Studied the hydrogenolysis of 2-(perfluorohexyl)ethane thiocyanate to 2-(perfluorohexyl)ethane thiol. it was discovered that perfluoroalkyl thiocyanates can be reduced to thiols and co-product hydrogen cyanide with molecular hydrogen in the presence of a carbon-supported palladium-tin catalyst. This result is Surprising since it is known that palladium and other groups 8 to 10 metal catalysts are poisoned by the product thiol, traces of hydrogen Sulfide byproduct, and the hydrogen cyanide co-product. For that reason, we characterized the catalyst to understand why it was so robust under conditions that Would normally poison such a catalyst. The effects of tin/palladium ratio, temperature, pressure, and recycling were Studied and correlated with catalyst characterization. The catalysts were characterized by chemisorption titrations, in situ X-Ray Diffraction (XRD), and Electron Spectroscopy for Chemical Analysis (ESCA). Chemisorption studies with hydrogen Sulfide show lack of adsorption at higher Sn/Pd ratios. Carbon monoxide chemisorption indicates an increase in adsorption with increasing palladium concentration. One form of palladium is transformed to a new phase at 140 degrees C by measurement of in situ variable temperature XRD. ESCA Studies of the catalysts show that the presence of tin concentration increases the surface palladium concentration. ESCA data also indicates that recycled catalysts show no palladium sulfide formation at the surface but palladium cyanide is present. C1 [Jacobson, Stephen E.; Abrams, Lloyd; Jones, Glover; Zhang, Lei] DuPont Co Inc, Contribut 8847, Wilmington, DE 19880 USA. [White, James F.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Jacobson, SE (reprint author), DuPont Co Inc, Contribut 8847, Wilmington, DE 19880 USA. EM stephen.e.jacobson@usa.dupont.com NR 16 TC 0 Z9 0 U1 0 U2 1 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 978-1-4200-7076-7 J9 CHEM IND-SER PY 2009 VL 123 BP 135 EP + PG 3 WC Chemistry, Applied; Chemistry, Organic; Chemistry, Physical SC Chemistry GA BLT07 UT WOS:000270967300015 ER PT B AU Holladay, JE White, JF Peterson, TH Frye, JG Oberg, AA Peerboom, L Miller, DJ Zacher, AH AF Holladay, Johnathan E. White, James F. Peterson, Thomas H. Frye, John G. Oberg, Aaron A. Peerboom, Lars Miller, Dennis J. Zacher, Alan H. BE Prunier, ML TI New Catalysts for the Hydrogenolysis of Glycerol and Sugar Alcohols SO CATALYSIS OF ORGANIC REACTIONS SE Chemical Industries LA English DT Proceedings Paper CT 22nd Conference on Catalysis of Organic Reactions CY MAR 30-APR 03, 2008 CL Richmond, VA SP Organ React Catalysis Soc, Avantium, BASF Catalysis LLC, Eli Lilly, Evonik Degussa Corp, WR Grace, Davison Catalysts, Parr Instrument, Air Prod, Amgen, Eastman, Umicore, Bristol Myers Squibb, DuPont, Headwaters, HEI, Lummus Technol, OMG, Seton Hall Univ, Sud Chem ID HYDROGENATION; RUTHENIUM; GLYCOLS; SULFUR AB Development of value-added products from glycerol can help the total economics of an oilseed biorefinery. Propylene glycol is one such product. This chapter will present the development of catalysts that can convert glycerol to propylene glycol in high yields. Our work has focused on a class of catalysts based on Re, which as a co-metal imparts important character to the catalysts. C1 [Holladay, Johnathan E.; White, James F.; Peterson, Thomas H.; Frye, John G.; Oberg, Aaron A.; Zacher, Alan H.] Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA. RP Holladay, JE (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA. EM Alan.Zacher@pnl.gov FU United States Department of Energy; Pacific Northwest National Laboratory (PNNL); U.S. Department of Energy [DE-AC06-76RL01830] FX This work was supported by the United States Department of Energy at the Pacific Northwest National Laboratory (PNNL), a multiprogram national laboratory operated by Battelle for the U.S. Department of Energy under Contract DE-AC06-76RL01830. We acknowledge Tom Binder and Paul Bloom at ADM and Maureen Bricker, James Vassilakis, Simon Bare, Sharry Lynch, Laura Leonard, Todd ruse, and Jennifer Holmgren at UOP with special thanks. NR 19 TC 0 Z9 0 U1 0 U2 3 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 978-1-4200-7076-7 J9 CHEM IND-SER PY 2009 VL 123 BP 303 EP + PG 3 WC Chemistry, Applied; Chemistry, Organic; Chemistry, Physical SC Chemistry GA BLT07 UT WOS:000270967300034 ER PT B AU Holladay, JE Brown, HM Appel, AM Zhang, ZC AF Holladay, Johnathan E. Brown, Heather M. Appel, Aaron M. Zhang, Z. Conrad BE Prunier, ML TI Novel Hydride Transfer Catalysis for Carbohydrate Conversions SO CATALYSIS OF ORGANIC REACTIONS SE Chemical Industries LA English DT Proceedings Paper CT 22nd Conference on Catalysis of Organic Reactions CY MAR 30-APR 03, 2008 CL Richmond, VA SP Organ React Catalysis Soc, Avantium, BASF Catalysis LLC, Eli Lilly, Evonik Degussa Corp, WR Grace, Davison Catalysts, Parr Instrument, Air Prod, Amgen, Eastman, Umicore, Bristol Myers Squibb, DuPont, Headwaters, HEI, Lummus Technol, OMG, Seton Hall Univ, Sud Chem ID SUPERCRITICAL WATER; IONIC LIQUIDS; D-FRUCTOSE; DEHYDRATION; KINETICS; GLYCERALDEHYDE; DECOMPOSITION; SUCROSE; GLUCOSE AB 5-(Hydroxymethyl)furfural, (HMF), an important versatile sugar derivative has been synthesized from glucose using catalytic amounts of CrCl(2) in 1-ethyl-3-methylimidizolium chloride. Glycerol and glyceraldehyde were tested as sugar model compounds. Glycerol is unreactive and does not interfere with glucose conversion. Glyceraldehyde is reactive and does interfere with glucose conversion in competitive experiments. MnCl(2) or FeCl(2) catalyze dehydration of glyceraldehyde dimer to form compound 1, a cyclic hemiacetal with an exocyclic double bond. Upon aqueous work-up I forms pyruvaldehyde. CrCl(2) or VCl(3) further catalyze a hydride transfer of I to form lactide. Upon aqueous work-tip lactide is converted to lactic acid. C1 [Holladay, Johnathan E.; Brown, Heather M.; Appel, Aaron M.; Zhang, Z. Conrad] Pacific NW Natl Lab, Inst Interfacial Catalysis, Richland, WA 99352 USA. RP Holladay, JE (reprint author), Pacific NW Natl Lab, Inst Interfacial Catalysis, POB 999, Richland, WA 99352 USA. EM Conrad.Zhang@pnl.gov NR 16 TC 0 Z9 0 U1 3 U2 6 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 978-1-4200-7076-7 J9 CHEM INDUST PY 2009 VL 123 BP 411 EP 418 PG 8 WC Chemistry, Applied; Chemistry, Organic; Chemistry, Physical SC Chemistry GA BLT07 UT WOS:000270967300046 ER PT S AU Xu, Y AF Xu, Ye BE Spivey, JJ Dooley, KM TI Recent advances in heterogeneous catalysis enabled by first-principles methods SO CATALYSIS, VOL 21 SE SPR-Catalysis LA English DT Article; Book Chapter ID DENSITY-FUNCTIONAL THEORY; GENERALIZED GRADIENT APPROXIMATION; ETHYLENE EPOXIDATION CATALYSTS; SCANNING-TUNNELING-MICROSCOPY; EVANS-POLANYI RELATION; FINDING SADDLE-POINTS; CO OXIDATION REACTION; AUGMENTED-WAVE METHOD; OXYGEN REDUCTION; 1ST PRINCIPLES C1 Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Xu, Y (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. NR 155 TC 1 Z9 1 U1 3 U2 5 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, CAMBRIDGE CB4 4WF, CAMBS, ENGLAND SN 0140-0568 BN 978-1-84755-959-3 J9 SPR-CATAL PY 2009 VL 21 BP 131 EP 153 DI 10.1039/b712659j D2 10.1039/9781847559593 PG 23 WC Chemistry, Applied; Chemistry, Physical SC Chemistry GA BLA12 UT WOS:000269724000005 ER PT B AU Garg, R Son, SW Kandemir, M Raghavan, P Prabhakar, R AF Garg, Rajat Son, Seung Woo Kandemir, Mahmut Raghavan, Padma Prabhakar, Ramya BE Capoello, F Wang, CL Buyya, R TI Markov Model Based Disk Power Management for Data Intensive Workloads SO CCGRID: 2009 9TH IEEE INTERNATIONAL SYMPOSIUM ON CLUSTER COMPUTING AND THE GRID LA English DT Proceedings Paper CT 9th IEEE/ACM International Symposium on Cluster Computing and the Grid CY MAY 18-21, 2009 CL Shanghai, PEOPLES R CHINA SP IEEE, IEEE Comp Soc, Tech Comm Scalable Comp AB In order to meet the increasing demands of present and upcoming data-intensive computer applications, there has been a major shift in the disk subsystem, which now consists of more disks with higher storage capacities and higher rotational speeds. These have made the disk subsystem a major consumer of power, making disk power management an important issue. People have considered the option of spinning down the disk during periods of idleness or serving the requests at lower rotational speeds when performance is not an issue. Accurately predicting future disk idle periods is crucial to such schemes. This paper presents a novel disk-idleness prediction mechanism based on Markov models and explains how this mechanism can be used in conjunction with a three-speed disk. Our experimental evaluation using a diverse set of workloads indicates that (i) prediction accuracies achieved by the proposed scheme are very good (87.5% on average); (ii) it generates significant energy savings over the traditional power-saving method of spinning down the disk when idle (35.5% on average); (iii) it performs better than a previously proposed multi-speed disk management scheme (19% on average); and (iv) the performance penalty is negligible (less than 1% on average). Overall, our implementation and experimental evaluation using both synthetic disk traces and traces extracted from real applications demonstrate the feasibility of a Markov-model-based approach to saving disk power. C1 [Garg, Rajat; Kandemir, Mahmut; Raghavan, Padma; Prabhakar, Ramya] Penn State Univ, Dept CSE, University Pk, PA 16802 USA. [Son, Seung Woo] Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. RP Garg, R (reprint author), Penn State Univ, Dept CSE, University Pk, PA 16802 USA. EM rgarg@cse.psu.edu; sson@mcs.anl.gov; kandemir@cse.psu.edu; raghavan@cse.psu.edu; rap244@cse.psu.edu FU NSF [0444158, 0621402, 0724599, 0720749, 0833126]; Office of Advanced Scientific Computing Research, Office of Science, U.S. Department of Energy [DEAC02-06CH11357] FX This work is supported in part by NSF grants #0444158, #0621402, #0724599, #0720749, and #0833126 and by the Office of Advanced Scientific Computing Research, Office of Science, U.S. Department of Energy, under Contract DEAC02-06CH11357. NR 35 TC 7 Z9 7 U1 0 U2 1 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4244-3935-5 PY 2009 BP 76 EP + DI 10.1109/CCGRID.2009.67 PG 2 WC Computer Science, Hardware & Architecture; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BLR84 UT WOS:000270899400013 ER PT B AU Isaila, F Blas, JG Carretero, J Latham, R Lang, S Ross, R AF Isaila, Florin Garcia Blas, Javier Carretero, Jesus Latham, Robert Lang, Samuel Ross, Robert BE Capoello, F Wang, CL Buyya, R TI Latency hiding file I/O for Blue Gene systems SO CCGRID: 2009 9TH IEEE INTERNATIONAL SYMPOSIUM ON CLUSTER COMPUTING AND THE GRID LA English DT Proceedings Paper CT 9th IEEE/ACM International Symposium on Cluster Computing and the Grid CY MAY 18-21, 2009 CL Shanghai, PEOPLES R CHINA SP IEEE, IEEE Comp Soc, Tech Comm Scalable Comp AB This paper presents the design and implementation of a novel file I/O solution for Blue Gene systems. We propose a hierarchical I/O cache architecture based on open source software. Our solution is based on an asynchronous data staging strategy, which hides the latency of file system access from compute nodes. The performance results demonstrate the high scalability and significant performance improvements of our architecture over existing solutions. C1 [Isaila, Florin; Garcia Blas, Javier; Carretero, Jesus] Univ Carlos III Madrid, E-28903 Getafe, Spain. [Latham, Robert; Lang, Samuel; Ross, Robert] Argonne Natl Lab, Argonne, IL 60439 USA. RP Isaila, F (reprint author), Univ Carlos III Madrid, E-28903 Getafe, Spain. EM florin@arcos.inf.uc3m.es; fjblas@arcos.inf.uc3m.es; icarrete@arcos.inf.uc3m.es; robl@mcs.anl.gov; slang@mcs.anl.gov; rross@mcs.anl.gov RI Isaila, Florin/B-6654-2012; OI Isaila, Florin/0000-0002-2455-2411; Latham, Rob/0000-0002-5285-6375 FU Spanish Ministry of Science and Innovation [TIN 2007/6309, DOE SCIDAC-2]; Scientific Data Management Center for Enabling Technologies (CET) [DE-FC02-07ER25808]; DOE SCiDAC [DEFC02-01ER25485]; NSF HECURA [CCF-0621443]; NSF [SDCIOCI-0724599]; NSF ST-HEC [CCF-0444405] FX This work was supported in part by Spanish Ministry of Science and Innovation under the project TIN 2007/6309 and by DOE SCIDAC-2: Scientific Data Management Center for Enabling Technologies (CET) grant DE-FC02-07ER25808, DOE SCiDAC award number DEFC02- 01ER25485, NSF HECURA CCF-0621443, NSF SDCIOCI-0724599, and NSF ST-HEC CCF-0444405. NR 24 TC 1 Z9 1 U1 0 U2 1 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4244-3935-5 PY 2009 BP 212 EP + DI 10.1109/CCGRID.2009.49 PG 3 WC Computer Science, Hardware & Architecture; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BLR84 UT WOS:000270899400030 ER PT B AU Santhanaraman, G Balaji, P Gopalakrishnan, K Thakur, R Gropp, W Panda, DK AF Santhanaraman, G. Balaji, P. Gopalakrishnan, K. Thakur, R. Gropp, W. Panda, D. K. BE Capoello, F Wang, CL Buyya, R TI Natively Supporting True One-sided Communication in MPI on Multi-core Systems with InfiniBand SO CCGRID: 2009 9TH IEEE INTERNATIONAL SYMPOSIUM ON CLUSTER COMPUTING AND THE GRID LA English DT Proceedings Paper CT 9th IEEE/ACM International Symposium on Cluster Computing and the Grid CY MAY 18-21, 2009 CL Shanghai, PEOPLES R CHINA SP IEEE, IEEE Comp Soc, Tech Comm Scalable Comp AB As high-end computing systems continue to grow in scale, the performance that applications can achieve on such large scale systems. depends heavily on their ability to avoid explicitly synchronized communication with other processes in the system. Accordingly, several modem and legacy parallel programming models (such as MPI, UPC, Global Arrays) have provided many programming constructs that enable implicit communication using one-sided communication operations. While MPI is the most widely used communication model for scientific computing, the usage of one-sided communication is restricted; this is mainly owing to the inefficiencies in current MPI implementations that internally rely on synchronization between processes even during one-sided communication, thus losing the potential of such constructs. In our previous work, we had utilized native one-sided communication primitives offered by high-speed networks such as InfiniBand (IB) to allow for true one-sided communication in MPI. In this paper, we extend this work to natively take advantage of one-sided atomic operations on cache-coherent multi-core/multi-processor architectures while still utilizing the benefits of networks such as IB. Specifically, we present a sophisticated hybrid design that uses locks that migrate between IB hardware atomics and multi-core CPU atomics to take advantage of both. We demonstrate the capability of our proposed design with a wide range of experiments illustrating its benefits in performance as well as its potential to avoid explicit synchronization. C1 [Santhanaraman, G.; Gopalakrishnan, K.; Panda, D. K.] Ohio State Univ, Columbus, OH 43210 USA. [Balaji, P.; Thakur, R.] Argonne Natl Lab, Dept Math & Comp Sci, Argonne, IL 60439 USA. [Gropp, W.] Univ Illinois, Dept Comp Sci, Urbana, IL 61801 USA. RP Santhanaraman, G (reprint author), Ohio State Univ, Columbus, OH 43210 USA. EM santhana@cse.ohio-state.edu; balaji@mcs.anl.gov; gopalakk@cse.ohio-state.edu; thakur@mcs.anl.gov; wgropp@illinois.edu; panda@cse.ohio-state.edu OI Gropp, William/0000-0003-2905-3029 FU Mathematical, Information, and Computational Sciences Division subprogram of the Office of Advanced Scientific Computing Research; Office of Science; U.S. Department of Energy [DE-AC02-06CH11357, DE-FC02-06ER25749, DE-FC02-06ER25755]; NSF [CNS-0403342, CCF-0702675, CCF-0833169]; Intel; Mellanox; Cisco systems; Linux Networx; Sun Microsystems FX This work was supported in part by the Mathematical, Information, and Computational Sciences Division subprogram of the Office of Advanced Scientific Computing Research, Office of Science, U.S. Department of Energy, under Contract DE-AC02-06CH11357, in part by #DE-FC02-06ER25749 and #DE-FC02-06ER25755; NSF grants #CNS-0403342, #CCF-0702675 and #CCF-0833169; grants from Intel, Mellanox, Cisco systems, Linux Networx and Sun Microsystems;. NR 21 TC 4 Z9 4 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4244-3935-5 PY 2009 BP 380 EP + DI 10.1109/CCGRID.2009.85 PG 2 WC Computer Science, Hardware & Architecture; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BLR84 UT WOS:000270899400051 ER PT S AU Given, MJ Fouracre, RA Timoshkin, IV Macgregor, SJ Lehr, JM AF Given, M. J. Fouracre, R. A. Timoshkin, I. V. Macgregor, S. J. Lehr, J. M. GP IEEE TI Surface Conductivity Measurements on Large Polymer Samples SO CEIDP: 2009 ANNUAL REPORT CONFERENCE ON ELECTRICAL INSULATION AND DIELECTRIC PHENOMENA SE Conference on Electrical Insulation and Dielectric Phenomena Annual Report LA English DT Proceedings Paper CT Annual Report Conference on Electrical Insulation and Dielectric Phenomena CY OCT 18-21, 2009 CL Virginia Beach, VA SP IEEE Dielect & Elect Insulat Soc AB A system has been developed by the authors to attempt to measure the surface conductivity of a large high voltage gas-filled switch housing. The housing is a hollow cylinder with an internal diameter of 300 mm and has a wall thickness of 25 mm. Unlike the situation with thin films where it is possible to perform meaningful surface conductivity measurements by creating a well defined field parallel to the surface of the material, there is a problem when dealing with bulk samples in separating the current component that results from conductivity in the bulk of the specimen from the surface component which is of interest. In addition there are concerns associated with currents arising from transient volume polarisation effects close to the current sensing electrode. A custom designed measurement system was therefore developed and this paper reports on the results obtained using this system. The observed behaviour is complex with current transients observed that showed a double relaxation process, followed by an increase in the measured current, suggesting the development of a space charge within the sample arising either from a polarisation process or from the injection of space charge into the bulk or onto the surface of the sample. The implications of these processes on the measurement of surface conductivity in measurement systems for bulk samples are discussed. C1 [Given, M. J.; Fouracre, R. A.; Timoshkin, I. V.; Macgregor, S. J.] Univ Strathclyde, Dept Elect & Elect Engn, High Voltage Technol Grp, Glasgow G1 1XW, Lanark, Scotland. [Lehr, J. M.] Sandia Natl Labs, Albuquerque, NM USA. RP Given, MJ (reprint author), Univ Strathclyde, Dept Elect & Elect Engn, High Voltage Technol Grp, Glasgow G1 1XW, Lanark, Scotland. NR 6 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 0084-9162 BN 978-1-4244-4557-8 J9 C ELECT INSUL DIEL P PY 2009 BP 253 EP + PG 2 WC Engineering, Electrical & Electronic SC Engineering GA BPK70 UT WOS:000279096900063 ER PT S AU Sauers, I James, R Ellis, A Tuncer, E Polizos, G Pace, M AF Sauers, Isidor James, Randy Ellis, Alvin Tuncer, Enis Polizos, Georgios Pace, Marshall GP IEEE TI Breakdown in Liquid Nitrogen in the Presence of Thermally Generated Bubbles for Different Electrode Geometries SO CEIDP: 2009 ANNUAL REPORT CONFERENCE ON ELECTRICAL INSULATION AND DIELECTRIC PHENOMENA SE Conference on Electrical Insulation and Dielectric Phenomena Annual Report LA English DT Proceedings Paper CT Annual Report Conference on Electrical Insulation and Dielectric Phenomena CY OCT 18-21, 2009 CL Virginia Beach, VA SP IEEE Dielect & Elect Insulat Soc ID MECHANISM; FIELDS; AREA AB Liquid nitrogen is used as the cryogen and dielectric for many high temperature superconducting high voltage applications. When a quench in the superconductor occurs, bubbles are generated which can affect the dielectric properties of the liquid nitrogen. An experiment has been set up to generate bubbles in liquid nitrogen. Bubbles were generated using a kapton heater. Three different electrode geometries were applied: plane-plane, sphere-sphere, and sphere-plane. Breakdown measurements were made in both open bath liquid nitrogen and in a pressurized dewar at pressures up to 200 kPa absolute. The voltage applied was 60 Hz AC. For sphere-plane it was observed that the breakdown did not always occur at the minimum gap and this was likely due to the actual location of the bubble when breakdown was initiated. For plane-plane geometry where bubbles were generated in the plane electrode, breakdown voltages dropped at a certain heater power and remained low thereafter. The heater power at which the drop occurred increased with pressure. Breakdown data for subcooled liquid nitrogen will also be presented. C1 [Sauers, Isidor; James, Randy; Ellis, Alvin; Tuncer, Enis; Polizos, Georgios; Pace, Marshall] Oak Ridge Natl Lab, Div Fus Energy, Appl Superconduct Grp, Oak Ridge, TN 37831 USA. RP Sauers, I (reprint author), Oak Ridge Natl Lab, Div Fus Energy, Appl Superconduct Grp, Oak Ridge, TN 37831 USA. OI Tuncer, Enis/0000-0002-9324-4324 NR 8 TC 8 Z9 8 U1 1 U2 1 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 0084-9162 BN 978-1-4244-4557-8 J9 C ELECT INSUL DIEL P PY 2009 BP 319 EP 322 DI 10.1109/CEIDP.2009.5377752 PG 4 WC Engineering, Electrical & Electronic SC Engineering GA BPK70 UT WOS:000279096900121 ER PT S AU Sauers, I Tuncer, E Polizos, G James, DR Ellis, AR Pace, MO AF Sauers, I. Tuncer, E. Polizos, G. James, D. R. Ellis, A. R. Pace, M. O. GP IEEE TI Very Low Frequency Breakdown Strengths of Electrical Insulation Materials at Cryogenic Temperatures SO CEIDP: 2009 ANNUAL REPORT CONFERENCE ON ELECTRICAL INSULATION AND DIELECTRIC PHENOMENA SE Conference on Electrical Insulation and Dielectric Phenomena Annual Report LA English DT Proceedings Paper CT Annual Report Conference on Electrical Insulation and Dielectric Phenomena CY OCT 18-21, 2009 CL Virginia Beach, VA SP IEEE Dielect & Elect Insulat Soc AB For long cables or equipment with large capacitance it is not always possible to conduct high voltage withstand tests at 60 Hz due to limitations in charging currents of the power supply. Very low frequency (typically at a frequency of 0.1 Hz) has been used for conventional cables as a way of getting around the charging current limitation. For superconducting grid applications the same issues apply. However there is very little data at cryogenic temperatures on how materials perform at low frequency compared to 60 Hz and whether higher voltages should be applied when performing a high voltage acceptability test. Various materials including G10 (fiberglass reinforced plastic or FRP), kapton (commonly used polyimide), polycarbonate, and polyetherimide, and in liquid nitrogen alone have been tested using a step method for frequencies of 60 Hz, 0.1 Hz, and dc. The dwell time at each step was chosen so that the voltage stress time would be the same in both the 60 Hz and 0.1 Hz tests. The data indicated that, while there is a small frequency dependence for liquid nitrogen, there are significant differences for the solid materials studied. C1 [Sauers, I.; Tuncer, E.; Polizos, G.; James, D. R.; Ellis, A. R.; Pace, M. O.] Oak Ridge Natl Lab, Div Fus Energy, Appl Superconduct Grp, Oak Ridge, TN 37831 USA. RP Sauers, I (reprint author), Oak Ridge Natl Lab, Div Fus Energy, Appl Superconduct Grp, Oak Ridge, TN 37831 USA. NR 7 TC 0 Z9 0 U1 0 U2 3 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 0084-9162 BN 978-1-4244-4557-8 J9 C ELECT INSUL DIEL P PY 2009 BP 480 EP 483 PG 4 WC Engineering, Electrical & Electronic SC Engineering GA BPK70 UT WOS:000279096900118 ER PT S AU Tuncer, E Sauers, I James, DR Ellis, AR Polizos, G Pace, MO AF Tuncer, Enis Sauers, Isidor James, D. Randy Ellis, Alvin R. Polizos, Georgios Pace, Marshall O. GP IEEE TI Single Frequency Characterization of a Commercial Resin SO CEIDP: 2009 ANNUAL REPORT CONFERENCE ON ELECTRICAL INSULATION AND DIELECTRIC PHENOMENA SE Conference on Electrical Insulation and Dielectric Phenomena Annual Report LA English DT Proceedings Paper CT Annual Report Conference on Electrical Insulation and Dielectric Phenomena CY OCT 18-21, 2009 CL Virginia Beach, VA SP IEEE Dielect & Elect Insulat Soc ID DIELECTRIC MATERIALS AB Electrical impedance measurement methods are extensively utilized to characterize dielectric materials. There are not many inexpensive commercially available measurement systems for low frequencies. In this paper an impedance measurement method using an electrometer is presented. The method can be employed for frequencies lower than 100 mHz. To illustrate the usefulness of the presented method, an epoxy resin is characterized and the influence of thermal aging is investigated. C1 [Tuncer, Enis; Sauers, Isidor; James, D. Randy; Ellis, Alvin R.; Polizos, Georgios; Pace, Marshall O.] Oak Ridge Natl Lab, Div Fus Energy, Appl Superconduct Grp, Oak Ridge, TN 37831 USA. RP Tuncer, E (reprint author), Oak Ridge Natl Lab, Div Fus Energy, Appl Superconduct Grp, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM tuncere@ornl.gov NR 7 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 0084-9162 BN 978-1-4244-4557-8 J9 C ELECT INSUL DIEL P PY 2009 BP 488 EP 490 PG 3 WC Engineering, Electrical & Electronic SC Engineering GA BPK70 UT WOS:000279096900120 ER PT S AU Polizos, G Tuncer, E Sauers, I James, DR Ellis, AR AF Polizos, G. Tuncer, E. Sauers, I. James, D. R. Ellis, A. R. GP IEEE TI Electrical and Thermal Properties of Polyvinyl Acetal Based Nanocomposites SO CEIDP: 2009 ANNUAL REPORT CONFERENCE ON ELECTRICAL INSULATION AND DIELECTRIC PHENOMENA SE Conference on Electrical Insulation and Dielectric Phenomena Annual Report LA English DT Proceedings Paper CT Annual Report Conference on Electrical Insulation and Dielectric Phenomena CY OCT 18-21, 2009 CL Virginia Beach, VA SP IEEE Dielect & Elect Insulat Soc AB A water chemistry procedure is used to synthesize titanium dioxide nanoparticles which can later be blended with a polymer to form a nanodielectric. The synthesized nanoparticles are dispersed in two grades of polyvinyl acetal (commercially available under the trade names BX-L and KS-10, manufactured by SEKISUI Chemicals). Nanocomposite materials were prepared with 15 and 33 wt% titanium dioxide. The variation of the glass transition temperature with increasing filler weight fraction is presented. The dielectric breakdown strengths of the nanodielectric samples are reported. The presented results can be employed to optimize the dielectric properties of the studied nanocomposites for potential use in cryogenic high voltage applications. C1 [Polizos, G.; Tuncer, E.; Sauers, I.; James, D. R.; Ellis, A. R.] Oak Ridge Natl Lab, Div Fus Energy, Appl Superconduct Grp, Oak Ridge, TN 37831 USA. RP Polizos, G (reprint author), Oak Ridge Natl Lab, Div Fus Energy, Appl Superconduct Grp, Oak Ridge, TN 37831 USA. NR 5 TC 0 Z9 0 U1 0 U2 1 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 0084-9162 BN 978-1-4244-4557-8 J9 C ELECT INSUL DIEL P PY 2009 BP 499 EP 501 PG 3 WC Engineering, Electrical & Electronic SC Engineering GA BPK70 UT WOS:000279096900123 ER PT S AU Tuncer, E Polizos, G Sauers, I James, DR Ellis, AR More, KL AF Tuncer, Enis Polizos, Georgios Sauers, Isidor James, D. Randy Ellis, Alvin R. More, Karren L. GP IEEE TI Electrical Properties of a Polymeric Nanocomposite with In-Situ Synthesized Nanoparticles SO CEIDP: 2009 ANNUAL REPORT CONFERENCE ON ELECTRICAL INSULATION AND DIELECTRIC PHENOMENA SE Conference on Electrical Insulation and Dielectric Phenomena Annual Report LA English DT Proceedings Paper CT Annual Report Conference on Electrical Insulation and Dielectric Phenomena CY OCT 18-21, 2009 CL Virginia Beach, VA SP IEEE Dielect & Elect Insulat Soc AB Nanocomposite electrical insulation materials (nanodielectrics) have been the focus of dielectrics research for the last ten years. Different materials preparation (mixing) methods have been applied to fabricate novel nanocomposites with improved electrical insulation properties. In this contribution we describe a nanodielectric fabrication method where the base polymeric material is loaded with particles, which are synthesized "in-situ". This method has an advantage in dispersing nanoparticles over other nanocomposite processing methods, because the particles are synthesized in randomly distributed sites inside the polymer network. In this paper structural and electrical properties of nanocomposites of polyvinyl alcohol and titanium dioxide are presented. C1 [Tuncer, Enis; Polizos, Georgios; Sauers, Isidor; James, D. Randy; Ellis, Alvin R.; More, Karren L.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Tuncer, E (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RI More, Karren/A-8097-2016; OI More, Karren/0000-0001-5223-9097; Tuncer, Enis/0000-0002-9324-4324 NR 13 TC 2 Z9 2 U1 0 U2 1 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 0084-9162 BN 978-1-4244-4557-8 J9 C ELECT INSUL DIEL P PY 2009 BP 527 EP 530 DI 10.1109/CEIDP.2009.5377753 PG 4 WC Engineering, Electrical & Electronic SC Engineering GA BPK70 UT WOS:000279096900122 ER PT S AU Timoshkin, IV Given, MJ Fouracre, RA MacGregor, SJ Lehr, JM AF Timoshkin, I. V. Given, M. J. Fouracre, R. A. MacGregor, S. J. Lehr, J. M. GP IEEE TI Charge Injection Energy Barriers and Charge Mobilities in Insulating Liquids SO CEIDP: 2009 ANNUAL REPORT CONFERENCE ON ELECTRICAL INSULATION AND DIELECTRIC PHENOMENA SE Conference on Electrical Insulation and Dielectric Phenomena Annual Report LA English DT Proceedings Paper CT Annual Report Conference on Electrical Insulation and Dielectric Phenomena CY OCT 18-21, 2009 CL Virginia Beach, VA SP IEEE Dielect & Elect Insulat Soc AB An analysis of non-linear I-V conduction characteristics in three different insulating liquids was conducted in the present paper. Apparent mobilities of the charge carriers and the magnitude of energy barriers at the metal liquid interface were derived for these liquids which include mineral transformer oil, Diala D oil and Midel 7131 synthetic ester liquid. It has been shown that I-V characteristics for thesde liquids demonstrate a non-linear behaviour with three possible regions: Ohmic conduction, space charge saturation regime and Fowler Nordheim charge injection. C1 [Timoshkin, I. V.; Given, M. J.; Fouracre, R. A.; MacGregor, S. J.] Univ Strathclyde, Dept Elect & Elect Engn, 204 George St, Glasgow G1 1XW, Lanark, Scotland. [Lehr, J. M.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Timoshkin, IV (reprint author), Univ Strathclyde, Dept Elect & Elect Engn, 204 George St, Glasgow G1 1XW, Lanark, Scotland. NR 5 TC 0 Z9 0 U1 0 U2 1 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 0084-9162 BN 978-1-4244-4557-8 J9 C ELECT INSUL DIEL P PY 2009 BP 596 EP + PG 2 WC Engineering, Electrical & Electronic SC Engineering GA BPK70 UT WOS:000279096900147 ER PT J AU Lauer, S Kunde, YA Apodaca, TA Goldstein, B Hong-Geller, E AF Lauer, Sabine Kunde, Yuliya A. Apodaca, Theresa A. Goldstein, Byron Hong-Geller, Elizabeth TI Soluble MD2 increases TLR4 levels on the epithelial cell surface SO CELLULAR IMMUNOLOGY LA English DT Article DE Innate immunity; Soluble MD2; Toll-like receptor 4; Endocytosis; LPS signaling; Epithelial cells ID TOLL-LIKE RECEPTOR-4; CONFERS LIPOPOLYSACCHARIDE RESPONSIVENESS; MD-2 EXPRESSION; BINDING-PROTEIN; ACTIVATION; LPS; INNATE; CD14; MOLECULE; IMMUNITY AB The accessory protein MD2 has been implicated in LPS-mediated activation of the innate immune system by functioning as a co-receptor with TLR4 for LPS binding at the cell surface. Epithelial cells that play a role in primary immune response, such as in the lung or gut, often express TLR4, but are dependent on circulating soluble MD2 (sMD2) to bind TLR4 to assemble the functional receptor. In this study, we show that sMD2 incubation with HEK293 epithelial cells transfected with TLR4 increases the cell surface levels of TLR4 in the absence of LPS. Dose response studies reveal that a threshold sMD2 concentration (similar to 450 nM) stimulates maximal TLR4 levels on the cell surface, whereas higher concentrations of sMD2 (similar to 1800 nM) reduce these enhanced TLR4 levels. We show evidence that MD2 multimer formation is increased at these higher concentrations of sMD2 and that addition of LPS to sMD2-stimulated cells masks the enhanced TLR4 cell surface levels, most likely due to the LPS-induced downregulation of TLR4 by endocytosis following receptor stimulation. All together, these results support a model in which sMD2 binds to TLR4 and increases TLR4 levels at the cell surface by preventing TLR4 turnover through the endocytic pathway. Thus, sMD2 may prime epithelial cells for enhanced immunoresponsive function prior to LPS exposure. Published by Elsevier Inc. C1 [Lauer, Sabine; Kunde, Yuliya A.; Hong-Geller, Elizabeth] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. [Goldstein, Byron] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Apodaca, Theresa A.] No New Mexico Coll, Espanola, NM USA. RP Hong-Geller, E (reprint author), Los Alamos Natl Lab, Biosci Div, POB 1663, Los Alamos, NM 87545 USA. EM ehong@lanl.gov FU LANL Laboratory Directed Research and Development-Direct Research (LDRD-DR) [20040087DR] FX This work was funded by a LANL Laboratory Directed Research and Development-Direct Research (LDRD-DR) Grant 20040087DR to B.G., a LANL Director's Reserve grant to E. H-G, and a NSF-PUSH training grant to T.A.A. The funding sources had no role in the study design, interpretation of data, or writing and submission of this report. The authors declare no conflict of interest relationships. NR 36 TC 5 Z9 7 U1 0 U2 7 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0008-8749 J9 CELL IMMUNOL JI Cell. Immunol. PY 2009 VL 255 IS 1-2 BP 8 EP 16 DI 10.1016/j.cellimm.2008.08.009 PG 9 WC Cell Biology; Immunology SC Cell Biology; Immunology GA 411CL UT WOS:000263625500002 PM 18845299 ER PT J AU Tomasi, D Wang, RL Telang, F Boronikolas, V Jayne, MC Wang, GJ Fowler, JS Volkow, ND AF Tomasi, D. Wang, R. L. Telang, F. Boronikolas, V. Jayne, M. C. Wang, G. -J. Fowler, J. S. Volkow, N. D. TI Impairment of Attentional Networks after 1 Night of Sleep Deprivation SO CEREBRAL CORTEX LA English DT Article ID VISUAL-ATTENTION; WORKING-MEMORY; SPATIAL ATTENTION; SUSTAINED ATTENTION; SELECTIVE ATTENTION; FUNCTIONAL-ANATOMY; BRAIN-FUNCTION; NEURAL BASIS; 4 TESLA; FMRI AB Here, we assessed the effects of sleep deprivation (SD) on brain activation and performance to a parametric visual attention task. Fourteen healthy subjects underwent functional magnetic resonance imaging of ball-tracking tasks with graded levels of difficulty during rested wakefulness (RW) and after 1 night of SD. Self-reports of sleepiness were significantly higher and cognitive performance significantly lower for all levels of difficulty for SD than for RW. For both the RW and the SD sessions, task difficulty was associated with activation in parietal cortex and with deactivation in visual and insular cortices and cingulate gyrus but this pattern of activation/deactivation was significantly lower for SD than for RW. In addition, thalamic activation was higher for SD than for RW, and task difficulty was associated with increases in thalamic activation for the RW but not the SD condition. This suggests that thalamic resources, which under RW conditions are used to process increasingly complex tasks, are being used to maintain alertness with increasing levels of fatigue during SD. Thalamic activation was also inversely correlated with parietal and prefrontal activation. Thus, the thalamic hyperactivation during SD could underlie the reduced activation in parietal and blunted deactivation in cingulate cortices, impairing the attentional networks that are essential for accurate visuospatial attention performance. C1 [Tomasi, D.; Wang, R. L.; Telang, F.; Boronikolas, V.; Jayne, M. C.; Wang, G. -J.; Fowler, J. S.] Brookhaven Natl Lab, Dept Med, Upton, NY 11973 USA. [Volkow, N. D.] Natl Inst Drug Abuse, Bethesda, MD 20892 USA. RP Tomasi, D (reprint author), Brookhaven Natl Lab, Dept Med, Bldg 490,30 Bell Ave, Upton, NY 11973 USA. EM tomasi@bnl.gov RI Tomasi, Dardo/J-2127-2015 FU Department of Energy (Office of Biological and Environmental Research [FWP CO-15]; National Institutes of Health Intramural Program and National Center for Research Resources [GCRC 5-MO1-RR-10710] FX Department of Energy (Office of Biological and Environmental Research FWP CO-15); the National Institutes of Health Intramural Program and National Center for Research Resources (GCRC 5-MO1-RR-10710). NR 72 TC 89 Z9 91 U1 3 U2 17 PU OXFORD UNIV PRESS INC PI CARY PA JOURNALS DEPT, 2001 EVANS RD, CARY, NC 27513 USA SN 1047-3211 J9 CEREB CORTEX JI Cereb. Cortex PD JAN PY 2009 VL 19 IS 1 BP 233 EP 240 DI 10.1093/cercor/bhn073 PG 8 WC Neurosciences SC Neurosciences & Neurology GA 383ND UT WOS:000261679400023 PM 18483003 ER PT B AU Blagojevic, F Iancu, C Yelick, K Curtis-Maury, M Nikolopoulos, DS Rose, B AF Blagojevic, Filip Iancu, Costin Yelick, Katherine Curtis-Maury, Matthew Nikolopoulos, Dimitrios S. Rose, Benjamin GP ACM TI Scheduling Dynamic Parallelism on Accelerators SO CF'09: CONFERENCE ON COMPUTING FRONTIERS & WORKSHOPS LA English DT Proceedings Paper CT 6th ACM International Conference on Computing Frontiers and Workshops CY MAY 18-20, 2009 CL Ischia, ITALY SP ACM SIGMICRO DE Cooperative Scheduling; Cell BE AB Resource management on accelerator based systems is complicated by the disjoint nature of the main CPU and accelerator, which involves separate memory hierarhcies, different degrees of parallelism, and relatively high cost of communicating between them. For applications with irregular parallelism, where work is dynamically created based on other computations, the accelerators may both consume and produce work. To maintain load balance, the accelerators hand work back to the CPU to be scheduled. In this paper we consider multiple approaches for such scheduling problems and use the Cell BE system to demonstrate the different schedulers and the trade-offs between them. Our evaluation is done with both microbenchmarks and two bioinformatics applications (PBPI and RAxML). Our baseline approach uses a standard Linux scheduler on the CPU, possibly with more than one process per CPU. We then consider the addition of cooperative scheduling to the Linux kernel and a user-level work-stealing approach. The two cooperative approaches are able to decrease SPE idle time, by 30% and 70%, respectively, relative to the baseline scheduler. In both cases we believe the changes required to application level codes, e.g., a program written with MPI processes that use accelerator based compute nodes, is reasonable, although the kernel level approach provides more generality and ease of implementation, but often less performance than work stealing approach. C1 [Blagojevic, Filip; Iancu, Costin; Yelick, Katherine] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Blagojevic, F (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM fblagojevic@lbl.gov; cciancu@lbl.gov; kayelick@lbl.gov; mcm@netapp.com; dsn@cs.vt.edu; bar234@cs.vt.edu NR 26 TC 3 Z9 3 U1 0 U2 0 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 1515 BROADWAY, NEW YORK, NY 10036-9998 USA BN 978-1-60558-413-3 PY 2009 BP 161 EP 170 PG 10 WC Computer Science, Hardware & Architecture; Computer Science, Theory & Methods SC Computer Science GA BNO18 UT WOS:000275111200018 ER PT B AU Villa, O Krishnamoorthy, S Nieplocha, J Brown, DM AF Villa, Oreste Krishnamoorthy, Sriram Nieplocha, Jarek Brown, David M. Jr GP ACM TI Scalable Transparent Checkpoint-Restart of Global Address Space Applications on Virtual Machines Over Infiniband SO CF'09: CONFERENCE ON COMPUTING FRONTIERS & WORKSHOPS LA English DT Proceedings Paper CT 6th ACM International Conference on Computing Frontiers and Workshops CY MAY 18-20, 2009 CL Ischia, ITALY SP ACM SIGMICRO DE Checkpoint-Restart; Global Address Space; Infiniband; Virtual Machines ID FAULT-TOLERANCE AB Checkpoint-Restart is one of the most used software approaches to achieve fault-tolerance in high-end clusters. While standard techniques typically focus on user-level solutions, the advent of virtualization software has enabled efficient and transparent system-level approaches. In this paper, we present a scalable transparent system-level solution to address fault-tolerance for applications based on global address space (GAS) programming models on Infiniband clusters. In addition to handling communication, the solution addresses transparent checkpoint of user-generated files. We exploit the support for the Infiniband network in tire Xen virtual machine environment. We have developed a, version of the Aggregate Remote Memory Copy Interface (ARMCI) one-sided communication library capable of suspending and resuming applications. We present efficient and scalable mechanisms to distribute checkpoint requests and to backup virtual machines memory images and file systems. We tested our approach in the context of NWChem, a popular computational chemistry suite. We demonstrated that NWChem can be executed, without any modification to the source code, on a virtualized 8-node cluster with very little overhead (below 3%). We observe that the total checkpoint time is limited by disk I/O. Finally, we measured system-size depended components of the checkpoint time on up to 1024 cores (128 nodes), demonstrating the scalability of our approach in medium/large-scale systems. C1 [Villa, Oreste; Krishnamoorthy, Sriram; Nieplocha, Jarek; Brown, David M. Jr] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Villa, O (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99352 USA. EM oreste.villa@pnl.gov; sriram.krishnamoorthy@pnl.gov; jarek.nieplocha@pnl.gov; david.brown@pnl.gov NR 29 TC 1 Z9 1 U1 0 U2 1 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 1515 BROADWAY, NEW YORK, NY 10036-9998 USA BN 978-1-60558-413-3 PY 2009 BP 197 EP 206 PG 10 WC Computer Science, Hardware & Architecture; Computer Science, Theory & Methods SC Computer Science GA BNO18 UT WOS:000275111200023 ER PT B AU Bronevetsky, G AF Bronevetsky, Greg GP IEEE COMPUTER SOC TI Communication-Sensitive Static Dataflow for Parallel Message Passing Applications SO CGO 2009: INTERNATIONAL SYMPOSIUM ON CODE GENERATION AND OPTIMIZATION, PROCEEDINGS LA English DT Proceedings Paper CT 7th International Symposium on Code Generation and Optimization CY MAR 22-25, 2009 CL Seattle, WA SP ACM SIGPLAN, ACM SIGMICRO, IEEE Comp Soc, TCuARCH AB Message passing is a very popular style of parallel programming, used in a wide variety of applications and supported by many APIs, such as BSD sockets, MPI and PVM. Its importance has motivated significant amounts of research on optimization and debugging techniques for such applications. Although this work has produced impressive results, it has also failed to fulfill its full potential. The reason is that while prior work has focused on runtime techniques, there has been very little work on compiler analyses that understand the properties of parallel message passing applications and use this information to improve application performance and quality of debuggers. This paper presents a novel compiler analysis framework that extends dataflow to parallel message passing applications on arbitrary numbers of processes. It works on an extended control-flow graph that includes all possible inter-process interactions of any numbers of processes. This enables dataflow analyses built on top of this framework to incorporate information about the application's parallel behavior and communication topology. The parallel dataflow framework can be instantiated with a variety of specific dataflow analyses as well as abstractions that can tune the accuracy of communication topology detection against its cost. The proposed framework bridges the gap between prior work on parallel runtime systems and sequential dataflow analyses, enabling new transformations, runtime optimizations and bug detection tools that require knowledge of the application's communication topology. We instantiate this framework with two different symbolic analyses and show how these analyses can detect different types of communication patterns, which enables the use of dataflow analyses on a wide variety of real applications. C1 Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94550 USA. RP Bronevetsky, G (reprint author), Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94550 USA. EM greg@bronevetsky.com NR 22 TC 13 Z9 13 U1 0 U2 0 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1264 USA BN 978-0-7695-3576-0 PY 2009 BP 1 EP 12 DI 10.1109/CGO.2009.32 PG 12 WC Computer Science, Software Engineering; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BNW02 UT WOS:000275712400001 ER PT S AU Taylor, RC Singhal, M Weller, J Khoshnevis, S Shi, L McDermott, J AF Taylor, Ronald C. Singhal, Mudita Weller, Jennifer Khoshnevis, Saeed Shi, Liang McDermott, Jason BE Stolovitzky, G Kahlem, P Califano, A TI A Network Inference Workflow Applied to Virulence-Related Processes in Salmonella typhimurium SO CHALLENGES OF SYSTEMS BIOLOGY: COMMUNITY EFFORTS TO HARNESS BIOLOGICAL COMPLEXITY SE Annals of the New York Academy of Sciences LA English DT Article; Proceedings Paper CT ENFIN-DREAM Conference on the Assessment of Computational Methods in Systems Biology CT DREAM2 Conference CY APR 28-29, 2008 CY DEC 03-04, 2007 CL Madrid, SPAIN CL New York Acad Sci, New York, NY HO New York Acad Sci DE network inference; biological networks; Salmonella typhimurium; transcriptional regulatory network; regulons; microarray analysis ID GENE REGULATORY NETWORKS; FACTOR-BINDING SITES; BAYESIAN NETWORKS; IMMUNE-RESPONSES; ENTERICA; EXPRESSION; RECONSTRUCTION; BACTERIA; PROTEIN; CELLS AB Inference of the structure or mRNA transcriptional regulatory networks, protein regulatory or interaction networks, and protein activation/inactivation-based signal transduction networks are critical tasks in systems biology. In this article we discuss a workflow for the reconstruction of parts of the transcriptional regulatory network of the pathogenic bacterium Salmonella typhimurium based on the information contained in sets of microarray gene-expression data now available for that organism and describe our results obtained by following this workflow. The primary tool is one of the network-inference algorithms deployed in the Software Environment for Biological Network Inference (SEBINI). Specifically, we selected the algorithm called context likelihood of relatedness (CLR), which uses the mutual information contained in the gene-expression data to infer regulatory connections. The associated analysis pipeline automatically stores the inferred edges from the CLR runs within SEBINI and, upon request, transfers the inferred edges into either Cytoscape or the plug-in Collective Analysis of Biological Interaction Networks (CABIN) tool for further postanalysis of the inferred regulatory edges. The following article presents the outcome of this workflow, as well as the protocols followed for microarray data collection, data cleansing, and network inference. Our analysis revealed several interesting interactions, functional groups, metabolic pathways, and regulons in S. typhimurium. C1 [Shi, Liang] Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, US Dept Energy, Richland, WA 99352 USA. [Weller, Jennifer; Khoshnevis, Saeed] Univ N Carolina, Dept Comp Sci, Bioinformat Res Ctr, Charlotte, NC 28223 USA. [Taylor, Ronald C.; Singhal, Mudita; McDermott, Jason] Pacific NW Natl Lab, Computat Biol & Bioinformat Grp, US Dept Energy, Richland, WA 99352 USA. RP Taylor, RC (reprint author), 902 Bauleee Blvd,POB 999,Mail Stop K7-90, Richland, WA 99352 USA. EM ronald.taylor@pul.gov OI McDermott, Jason/0000-0003-2961-2572; Taylor, Ronald/0000-0001-9777-9767 FU U.S. Department of Energy [DE-AC06 76RL01830]; UNCC; PNNL's William R. Wiley Environmental Molecular Science Laboratory (EMSL) FX The research described in this paper was conducted for the Biomolecular Systems Initiative under the Laboratory Directed Research and Development Program at the Pacific Northwest National Laboratory (PNNL) a multiprogram national laboratory operated by Battelle for the U.S. Department of Energy under Contract DE-AC06 76RL01830. Also, J. Weller and S. Khoshnevis have been supported by start-up funds from UNCC.; In addition, SLBINI has been supported by PNNL's William R. Wiley Environmental Molecular Science Laboratory (EMSL) and the EMSL Grand Challenge in Membrane Biology project. NR 61 TC 3 Z9 3 U1 0 U2 4 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXEN, ENGLAND SN 0077-8923 BN 978-1-57331-751-1 J9 ANN NY ACAD SCI JI Ann.NY Acad.Sci. PY 2009 VL 1158 BP 143 EP 158 DI 10.1111/j.1749-6632.2008.03762.x PG 16 WC Biotechnology & Applied Microbiology; Mathematical & Computational Biology; Multidisciplinary Sciences SC Biotechnology & Applied Microbiology; Mathematical & Computational Biology; Science & Technology - Other Topics GA BJG41 UT WOS:000265650800013 PM 19348639 ER PT S AU Johnson, TJ Williams, SD Valentine, NB Su, YF Kreuzer-Martin, HW Wahl, K Forrester, JB AF Johnson, Timothy J. Williams, Stephen D. Valentine, Nancy B. Su, Yin-Fong Kreuzer-Martin, Helen W. Wahl, Karen Forrester, Joel B. BE Fountain, AW Gardner, PJ TI Infrared signatures of Bacillus bacteria: Clear IR distinctions between sporulated and vegetative cells with chemical assignments SO CHEMICAL, BIOLOGICAL, RADIOLOGICAL, NUCLEAR, AND EXPLOSIVES (CBRNE) SENSING X SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Chemical, Biological, Radiological, Nuclear, and Explosives (CBRNE) Sensing X CY APR 14-16, 2009 CL Orlando, FL SP SPIE ID MASS-SPECTROMETRY; CALCIUM DIPICOLINATE; RAMAN-SPECTROSCOPY; STATISTICAL-ANALYSIS; TRANSFORM; IDENTIFICATION; SPORES; CLASSIFICATION; AGENTS; PYRIDINE-2,6-DICARBOXYLATE AB This paper highlights the distinctions between the infrared (IR) absorption spectra of vegetative versus sporulated Bacillus bacteria. It is observed that there are unique signatures clearly associated with either the sporulated or the vegetative state, and that vegetative cells (and associated debris) can contribute to the spore spectra. A distinct feature at similar to 1739 cm(-1) appears to be unique to vegetative cell spectra, and can also be used as an indicator of vegetative cells or cell debris in the spore spectra. The data indicate the band is caused by a phospholipid carbonyl bond and are consistent with, but do not prove it to be, either phosphatidyl ethanolamine (PE) or phosphatidyl glycerol (PG), the two major classes of phospholipids found in vegetative cells of Bacillus species. The endospore spectra show characteristic peaks at 1441, 1277, and 1015 cm(-1) along with a distinct quartet of peaks at 766, 725, 701, and 659 cm(-1). These are clearly associated with calcium dipicolinate trihydrate, CaDP center dot 3H(2)O. We emphasize that the spore peaks, especially the quartet, arise from the calcium dipicolinate trihydrate and not from dipicolinic acid or other dipicolinate hydrate salts. The CaDP center dot 3H(2)O vibrational peaks and the effects of hydration were studied using quantum chemistry in the PQS software package. The quartet is associated with many motions including contributions from the Ca(2+) counterion and hydration waters including Ca-O-H bends, H(2)O-Ca-O torsions and O-C-O bends. The 1441 and 1015 cm(-1) modes are planar pyridine modes with the 1441 mode primarily a ring C-N stretch and the 1015 mode primarily a ring C-stretch. C1 [Johnson, Timothy J.; Valentine, Nancy B.; Su, Yin-Fong; Kreuzer-Martin, Helen W.; Wahl, Karen; Forrester, Joel B.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Johnson, TJ (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA. NR 39 TC 0 Z9 0 U1 0 U2 0 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-7570-1 J9 PROC SPIE PY 2009 VL 7304 AR 730407 DI 10.1117/12.823178 PG 11 WC Remote Sensing; Optics; Radiology, Nuclear Medicine & Medical Imaging; Spectroscopy SC Remote Sensing; Optics; Radiology, Nuclear Medicine & Medical Imaging; Spectroscopy GA BVR69 UT WOS:000292557300006 ER PT S AU Moore, DS Rabitz, H McGrane, D Greenfield, M Scharff, RJ Beltrani, V Roslund, J AF Moore, D. S. Rabitz, Herschel McGrane, D. Greenfield, M. Scharff, R. J. Beltrani, V. Roslund, J. BE Fountain, AW Gardner, PJ TI Optimal Dynamic Detection of Explosives SO CHEMICAL, BIOLOGICAL, RADIOLOGICAL, NUCLEAR, AND EXPLOSIVES (CBRNE) SENSING X SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Chemical, Biological, Radiological, Nuclear, and Explosives (CBRNE) Sensing X CY APR 14-16, 2009 CL Orlando, FL SP SPIE DE coherent control; dynamic nonlinear; ultrafast lasers; closed-loop optimization; detection; explosives ID PULSES AB The detection of explosives is a notoriously difficult problem, especially at stand-off distances, due to their (generally) low vapor pressure, environmental and matrix interferences, and packaging. We are exploring optimal dynamic detection to exploit the best capabilities of recent advances in laser technology and recent discoveries in optimal shaping of laser pulses for control of molecular processes to significantly enhance the standoff detection of explosives. The core of the ODD-Ex technique is the introduction of optimally shaped laser pulses to simultaneously enhance sensitivity of explosives signatures while reducing the influence of noise and the signals from background interferents in the field (increase selectivity). These goals are being addressed by operating in an optimal nonlinear fashion, typically with a single shaped laser pulse inherently containing within it coherently locked control and probe sub-pulses. With sufficient bandwidth, the technique is capable of intrinsically providing orthogonal broad spectral information for data fusion, all from a single optimal pulse. C1 [Moore, D. S.; McGrane, D.; Greenfield, M.; Scharff, R. J.] Los Alamos Natl Lab, Shock & Detonat Phys Grp, Los Alamos, NM 87545 USA. RP Moore, DS (reprint author), Los Alamos Natl Lab, Shock & Detonat Phys Grp, POB 1663, Los Alamos, NM 87545 USA. EM moored@lanl.gov OI Mcgrane, Shawn/0000-0002-2978-3980; Scharff, Robert/0000-0002-1708-8964 NR 23 TC 1 Z9 1 U1 0 U2 4 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-7570-1 J9 PROC SPIE PY 2009 VL 7304 AR 730413 DI 10.1117/12.818671 PG 8 WC Remote Sensing; Optics; Radiology, Nuclear Medicine & Medical Imaging; Spectroscopy SC Remote Sensing; Optics; Radiology, Nuclear Medicine & Medical Imaging; Spectroscopy GA BVR69 UT WOS:000292557300031 ER PT J AU Xu, Q Song, Q Ai, X McDonald, TJ Long, H Ding, SY Himmel, ME Rumbles, G AF Xu, Qi Song, Qing Ai, Xin McDonald, Timothy J. Long, Hai Ding, Shi-You Himmel, Michael E. Rumbles, Garry TI Engineered carbohydrate-binding module (CBM) protein-suspended single-walled carbon nanotubes in water SO CHEMICAL COMMUNICATIONS LA English DT Article ID DISPERSION AB Engineered protein, CtCBM4, the first carbohydrate-binding module (CBM) protein is successfully used to debundle and suspend single-walled carbon nanotubes (SWNTs) effectively in aqueous solution, which opens up a new avenue in further functionalizing and potential selectively fractionating SWNTs for diverse biology- and/or energy-related applications. C1 [Xu, Qi; Song, Qing; Ai, Xin; McDonald, Timothy J.; Long, Hai; Ding, Shi-You; Himmel, Michael E.; Rumbles, Garry] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Ai, X (reprint author), Natl Renewable Energy Lab, 1617 Cole Blvd, Golden, CO 80401 USA. EM xin_ai@nrel.gov; garry_rumbles@nrel.gov RI Ding, Shi-You/O-1209-2013; Long, Hai/C-5838-2015; OI Rumbles, Garry/0000-0003-0776-1462 FU US Department of Energy [DE-AC36-99GO10337] FX This work was supported by the US Department of Energy under contract No. DE-AC36-99GO10337 with NREL, and the NREL Laboratory Directed Research and Development program. NR 24 TC 3 Z9 3 U1 0 U2 3 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2009 IS 3 BP 337 EP 339 DI 10.1039/b815597f PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 390PS UT WOS:000262176800021 PM 19209321 ER PT J AU Graves, CR Scott, BL Morris, DE Kiplinger, JL AF Graves, Christopher R. Scott, Brian L. Morris, David E. Kiplinger, Jaqueline L. TI Selenate and tellurate complexes of pentavalent uranium SO CHEMICAL COMMUNICATIONS LA English DT Article ID NEUTRON-DIFFRACTION; ORGANOURANIUM(V) COMPOUNDS; ELECTRONIC-STRUCTURE; F-ELEMENT; CRYSTAL; CHEMISTRY; ACTINIDE; SE; REDUCTION; OXIDATION AB Oxidation of (C(5)Me(5))(2)U(=N- 2,6-(i)Pr(2)-C(6)H(3))(THF) with PhE-EPh yields the corresponding U(V)-chalcogenate complexes (C(5)Me(5))(2)U(=N-2,6-(i)Pr(2)-C(6)H(3))(EPh) (E = S, Se, Te) in excellent (>90%) isolated yields. C1 [Graves, Christopher R.; Scott, Brian L.; Morris, David E.; Kiplinger, Jaqueline L.] Los Alamos Natl Lab, Los Alamos, NM 87544 USA. RP Morris, DE (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87544 USA. EM kiplinger@lanl.gov RI Morris, David/A-8577-2012; Kiplinger, Jaqueline/B-9158-2011; Scott, Brian/D-8995-2017 OI Kiplinger, Jaqueline/0000-0003-0512-7062; Scott, Brian/0000-0003-0468-5396 FU LANL; G. T. Seaborg Institute for Transactinium Science; Division of Chemical Sciences; Office of Basic Energy Sciences; Heavy Element Chemistry program; US Dept of Energy at LANL [DE-AC5206NA25396] FX For financial support of this work, we acknowledge LANL (Director's PD Fellowship to C. R. G.), the LANL LDRD program and G. T. Seaborg Institute for Transactinium Science ( PD Fellowship to C. R. G.), and the Division of Chemical Sciences, Office of Basic Energy Sciences, Heavy Element Chemistry program. This work was carried out under the auspices of the NNSA of the US Dept of Energy at LANL under Contract DE-AC5206NA25396. NR 32 TC 31 Z9 31 U1 0 U2 6 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2009 IS 7 BP 776 EP 778 DI 10.1039/b819097f PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 403WT UT WOS:000263113400009 PM 19322438 ER PT J AU Cornet, SM Haller, LJL Sarsfield, MJ Collison, D Helliwell, M May, I Kaltsoyannis, N AF Cornet, Stephanie M. Haeller, L. Jonas L. Sarsfield, Mark J. Collison, David Helliwell, Madeleine May, Iain Kaltsoyannis, Nikolas TI Neptunium(VI) chain and neptunium(VI/V) mixed valence cluster complexes SO CHEMICAL COMMUNICATIONS LA English DT Article ID CATION-CATION INTERACTIONS; CRYSTAL-STRUCTURE; EQUATORIAL COORDINATION; MOLECULAR-STRUCTURES; NEPTUNYL CHLORIDE; URANYL; CHEMISTRY; DISPROPORTIONATION; ABSORPTION; REDUCTION AB The synthesis of [Np(VI)O(2)Cl(2)(thf)](n) offers the potential for more detailed exploration of neptunyl(VI) chemistry, while the synthesis of the mixed valence cluster complex[{Np(VI)O(2)Cl(2)}{Np(V)O(2)Cl(thf)(3)}(2)] allows molecular neptunyl(V) 'cation-cation' interactions to be probed. C1 [May, Iain] Los Alamos Natl Lab, Los Alamos, NM 87544 USA. [Cornet, Stephanie M.] Univ Manchester, Ctr Radiochem Res, Sch Chem, Manchester M13 9PL, Lancs, England. [Haeller, L. Jonas L.; Kaltsoyannis, Nikolas] UCL, Dept Chem, London WC 1H, England. [Sarsfield, Mark J.] UK Natl Nucl Lab, Cent Lab, Seascale CA20 1PG, Cumbria, England. [Collison, David; Helliwell, Madeleine] Univ Manchester, Sch Chem, Manchester M13 9PL, Lancs, England. RP May, I (reprint author), Los Alamos Natl Lab, Mail Stop J-514, Los Alamos, NM 87544 USA. EM iainmay@lanl.gov; n.kaltsoyannis@ucl.ac.uk OI Kaltsoyannis, Nikolas/0000-0003-0293-5742 FU EPSRC [GR/S95169/01, GR/S06233/01, GR/S95152/01]; Heavy Element Chemistry Research Program; Chemical Sciences Division of the Office of Basic Energy Sciences; United States Department of Energy FX The UCL team is grateful to the EPSRC for a project studentship to L. J. L. H. (Grant GR/S95169/01) and for computing resources under Grant GR/S06233/01. The CRR Manchester group is grateful to the EPSRC for a PDRA (SMC, Grant GR/S95152/01). M. J. S. is grateful to the UK Nuclear Decommissioning Authority for funding. I. M. is currently funded by the Heavy Element Chemistry Research Program, Chemical Sciences Division of the Office of Basic Energy Sciences, United States Department of Energy. NR 36 TC 29 Z9 30 U1 1 U2 22 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2009 IS 8 BP 917 EP 919 DI 10.1039/b818973k PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 406NV UT WOS:000263303100012 PM 19214315 ER PT J AU Peng, HS Sun, XM AF Peng, Huisheng Sun, Xuemei TI Macroporous carbon nanotube arrays with tunable pore sizes and their template applications SO CHEMICAL COMMUNICATIONS LA English DT Article ID COMPOSITE FILMS; POLYMER NANOCOMPOSITES; CONDUCTIVITY; NETWORKS; FIBERS; GROWTH; YARNS AB This work reports the first synthesis of macroporous carbon nanotube arrays with tunable pore sizes, and these porous arrays provide simple and efficient templates for synthesizing composite carbon nanotube-polymer materials. C1 [Peng, Huisheng; Sun, Xuemei] Fudan Univ, Adv Mat Lab, Shanghai 200438, Peoples R China. [Peng, Huisheng; Sun, Xuemei] Fudan Univ, Dept Macromol Sci, Shanghai 200438, Peoples R China. [Peng, Huisheng] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Peng, HS (reprint author), Fudan Univ, Adv Mat Lab, Shanghai 200438, Peoples R China. EM penghs@fudan.edu.cn RI Peng, Huisheng/G-8867-2011 NR 25 TC 13 Z9 13 U1 2 U2 24 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2009 IS 9 BP 1058 EP 1060 DI 10.1039/b820240k PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 408RX UT WOS:000263453700015 PM 19225635 ER PT J AU Germain, J Frechet, JMJ Svec, F AF Germain, Jonathan Frechet, Jean M. J. Svec, Frantisek TI Nanoporous, hypercrosslinked polypyrroles: effect of crosslinking moiety on pore size and selective gas adsorption SO CHEMICAL COMMUNICATIONS LA English DT Article ID HIGH-SURFACE-AREA; POROUS POLYMER MONOLITHS; HYDROGEN STORAGE; CONDUCTING POLYMER; STATIONARY PHASES; NETWORKS; CARBON; POLYANILINE; CHROMATOGRAPHY; POLYSTYRENE AB Nanoporous, hypercrosslinked polypyrroles with surface areas of up to 720 m(2) g(-1) have been prepared; their pore sizes and gas adsorption selectivities were controlled by varying the size of the crosslinking units. C1 [Frechet, Jean M. J.; Svec, Frantisek] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Germain, Jonathan; Frechet, Jean M. J.] Univ Calif Berkeley, Coll Chem, Berkeley, CA 94720 USA. RP Svec, F (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. EM fsvec@lbl.gov OI Frechet, Jean /0000-0001-6419-0163 FU U.S. Department of Energy [DE-AC02-05CH11231] FX This work carried out in the Molecular Foundry of the Lawrence Berkeley National Laboratory was supported by the Director, Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 29 TC 42 Z9 42 U1 6 U2 53 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2009 IS 12 BP 1526 EP 1528 DI 10.1039/b821233c PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 416RP UT WOS:000264023500024 PM 19277378 ER PT J AU Chen, HP Gai, HW Yeung, ES AF Chen, Huaping Gai, Hongwei Yeung, Edward S. TI Inhibition of photobleaching and blue shift in quantum dots SO CHEMICAL COMMUNICATIONS LA English DT Article ID SPECTROSCOPY; NANOCRYSTALS; SUPPRESSION; MICROSCOPY; BLINKING AB Photobleaching and spectral diffusion (blue shift) of quantum dots at the solid/liquid interface are suppressed by adding mercaptoethylamine. C1 [Chen, Huaping; Gai, Hongwei; Yeung, Edward S.] Hunan Univ, Ctr Biomed Engn, Changsha 410082, Hunan, Peoples R China. [Gai, Hongwei] Hunan Univ, State Key Lab Chemo Biosensing & Chemometr, Changsha 410082, Hunan, Peoples R China. [Yeung, Edward S.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. [Yeung, Edward S.] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. RP Gai, HW (reprint author), Hunan Univ, Ctr Biomed Engn, Changsha 410082, Hunan, Peoples R China. EM gaihw@hnu.cn FU NSFC of China [20705007]; Hunan University "985" Fund; SKLCBSC (2007-05); US Department of Energy, Office of Basic Energy Sciences FX The authors are grateful to the NSFC of China (20705007), the Hunan University "985" Fund and SKLCBSC (2007-05) for financial support. ESY thanks the US Department of Energy, Office of Basic Energy Sciences, for partial support of this work. NR 18 TC 25 Z9 25 U1 1 U2 28 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2009 IS 13 BP 1676 EP 1678 DI 10.1039/b819356h PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 419XX UT WOS:000264254100017 PM 19294259 ER PT J AU Zhu, ZT Zhang, LF Howe, JY Liao, YL Speidel, JT Smith, S Fong, H AF Zhu, Zhengtao Zhang, Lifeng Howe, Jane Y. Liao, Yiliang Speidel, Jordan T. Smith, Steve Fong, Hao TI Aligned electrospun ZnO nanofibers for simple and sensitive ultraviolet nanosensors SO CHEMICAL COMMUNICATIONS LA English DT Article ID ZINC-OXIDE; NANOWIRES; POLYMER; GROWTH; FIBERS; PHOTOCONDUCTIVITY; PHOTODETECTORS; NANOBELTS; DEVICES; FILMS AB The current of uni-axially aligned electrospun ZnO nanofibers is modulated reversibly under UV irradiation, with the sensitivity of the UV nanosensors depending on the surface coating of the nanofibers, due to the effect on the photo-generated current. C1 [Zhu, Zhengtao; Zhang, Lifeng; Liao, Yiliang; Speidel, Jordan T.; Fong, Hao] S Dakota Sch Mines & Technol, Dept Chem, Rapid City, SD 57701 USA. [Smith, Steve] S Dakota Sch Mines & Technol, Nanosci & Nanoengn Program, Rapid City, SD 57701 USA. [Howe, Jane Y.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Zhu, ZT (reprint author), S Dakota Sch Mines & Technol, Dept Chem, Rapid City, SD 57701 USA. EM Zhengtao.Zhu@sdsmt.edu; Hao.Fong@sdsmt.edu RI Zhu, Zhengtao/A-1633-2009; Howe, Jane/G-2890-2011 OI Zhu, Zhengtao/0000-0002-9311-2110; FU American Chemical Society Petroleum Research Fund (ACS-PRF) [45593-GB10] FX This research was supported by the American Chemical Society Petroleum Research Fund (ACS-PRF) under the grant number 45593-GB10. NR 30 TC 45 Z9 45 U1 3 U2 29 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2009 IS 18 BP 2568 EP 2570 DI 10.1039/b901426h PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 445FE UT WOS:000266034600038 PM 19532892 ER PT J AU Strautmann, JBH von Richthofen, CGF George, SD Bothe, E Bill, E Glaser, T AF Strautmann, Julia Bernhardette Hildegard von Richthofen, Carl-Georg Freiherr George, Serena DeBeer Bothe, Eberhard Bill, Eckhard Glaser, Thorsten TI Highly oxidized diiron complexes: generation, spectroscopy, and stabilities SO CHEMICAL COMMUNICATIONS LA English DT Article ID COLI RIBONUCLEOTIDE REDUCTASE; MONOOXYGENASE INTERMEDIATE-Q; X-RAY-ABSORPTION; METHANE MONOOXYGENASE; DIAMOND CORE; IRON COMPLEXES; COFACTOR; DIOXYGEN; LIGANDS AB Oxidation of the diferric complex [LFe(III)OFe(III)L] to the monoradical complex [LFe(III)OFe(III)L(center dot)](+) and the diradical complex [L(center dot)Fe(III)OFe(III)L(center dot)](2+) is followed by a decay into monomeric complexes including a highly reactive putative [LFe(IV)=O] complex. C1 [Strautmann, Julia Bernhardette Hildegard; von Richthofen, Carl-Georg Freiherr; Glaser, Thorsten] Univ Bielefeld, Fac Chem, D-33615 Bielefeld, Germany. [George, Serena DeBeer] Stanford Univ, SLAC, Stanford Synchrotron Radiat Lightsource, Stanford, CA 94309 USA. [Bothe, Eberhard; Bill, Eckhard] Max Planck Inst Bioanorgan Chem, D-45470 Mulheim, Germany. RP Glaser, T (reprint author), Univ Bielefeld, Fac Chem, Univ Str 25, D-33615 Bielefeld, Germany. EM thorsten.glaser@uni-bielefeld.de RI DeBeer, Serena/G-6718-2012; Glaser, Thorsten/H-5187-2013 OI Glaser, Thorsten/0000-0003-2056-7701 FU NCRR NIH HHS [5P41RR001209] NR 19 TC 17 Z9 17 U1 0 U2 6 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2009 IS 19 BP 2637 EP 2639 DI 10.1039/b903500a PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 443DO UT WOS:000265890600003 PM 19532905 ER PT J AU Mortera, R Vivero-Escoto, J Slowing, II Garrone, E Onida, B Lin, VSY AF Mortera, Renato Vivero-Escoto, Juan Slowing, Igor I. Garrone, Edoardo Onida, Barbara Lin, Victor S. -Y. TI Cell-induced intracellular controlled release of membrane impermeable cysteine from a mesoporous silica nanoparticle-based drug delivery system SO CHEMICAL COMMUNICATIONS LA English DT Article ID N-ACETYLCYSTEINE; CARDIOVASCULAR-DISEASE; OXIDATIVE STRESS; CANCER-CELLS; GLUTATHIONE; FUNCTIONALIZATION; PROTEINS; CULTURE AB A mesoporous silica nanoparticle-based intracellular cysteine delivery system that could be induced and regulated by cell-produced natural antioxidants was synthesized. C1 [Vivero-Escoto, Juan; Slowing, Igor I.; Lin, Victor S. -Y.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. [Vivero-Escoto, Juan; Slowing, Igor I.; Lin, Victor S. -Y.] Iowa State Univ, US DOE Ames Lab, Ames, IA 50011 USA. [Mortera, Renato; Garrone, Edoardo; Onida, Barbara] Politecn Torino, Dipartimento Sci Mat & Ingn Chim, I-10129 Turin, Italy. RP Lin, VSY (reprint author), Iowa State Univ, Dept Chem, Ames, IA 50011 USA. EM vsylin@iastate.edu RI Mortera, Renato/B-4615-2010; Vivero-Escoto, Juan/I-8015-2014; OI Slowing, Igor/0000-0002-9319-8639 FU US National Science Foundation [CHE-0809521]; US DOE Ames Laboratory through the office of Basic Energy Sciences [DE-AC02-07CH11358] FX This work was supported by the US National Science Foundation (CHE-0809521) and the US DOE Ames Laboratory through the office of Basic Energy Sciences under Contract No. DE-AC02-07CH11358. NR 28 TC 78 Z9 78 U1 4 U2 35 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2009 IS 22 BP 3219 EP 3221 DI 10.1039/b900559e PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 452QC UT WOS:000266555300021 PM 19587919 ER PT J AU Jin, P Dalgarno, SJ Warren, JE Teat, SJ Atwood, JL AF Jin, Ping Dalgarno, Scott J. Warren, John E. Teat, Simon J. Atwood, Jerry L. TI Enhanced control over metal composition in mixed Ga/Zn and Ga/Cu coordinated pyrogallol[4]arene nanocapsules SO CHEMICAL COMMUNICATIONS LA English DT Article ID MOLECULAR CAPSULES; HYDROGEN-BONDS; GUEST; ENCAPSULATION; FLUORESCENCE; ASSEMBLIES; EXCHANGE; COMPLEX; ROBUST AB The stepwise synthesis of mixed metal-organic C-alkylpyrogallol[4]arene nanocapsules allows control over the metal ratios in the resulting assemblies via sequential incorporation and ejection of different metals. C1 [Jin, Ping; Dalgarno, Scott J.; Atwood, Jerry L.] Univ Missouri, Dept Chem, Columbia, MO 65211 USA. [Dalgarno, Scott J.] Heriot Watt Univ, Sch Engn & Phys Sci Chem, Edinburgh EH14 4AS, Midlothian, Scotland. [Warren, John E.] Daresbury Sci & Innovat Campus, Warrington WA4 4AD, Cheshire, England. [Teat, Simon J.] Univ Calif Berkeley, Lawrence Berkeley Lab, Ctr Adv Mat, Berkeley, CA 94720 USA. RP Dalgarno, SJ (reprint author), Univ Missouri, Dept Chem, 601 S Coll Ave, Columbia, MO 65211 USA. EM S.J.Dalgarno@hw.ac.uk; AtwoodJ@missouri.edu RI Warren, John/B-5219-2008; Dalgarno, Scott/A-7358-2010 OI Warren, John/0000-0002-8755-7981; Dalgarno, Scott/0000-0001-7831-012X FU US Department of Energy [DE-AC02-05CH11231] FX The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, of the US Department of Energy under contract no. DE-AC02-05CH11231. NR 33 TC 31 Z9 31 U1 1 U2 11 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2009 IS 23 BP 3348 EP 3350 DI 10.1039/b822430g PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 454ID UT WOS:000266674700005 PM 19503866 ER PT J AU Todea, AM Merca, A Bogge, H Glaser, T Engelhardt, L Prozorov, R Lubanc, M Muller, A AF Todea, Ana Maria Merca, Alice Boegge, Hartmut Glaser, Thorsten Engelhardt, Larry Prozorov, Ruslan Lubanc, Marshall Mueller, Achim TI Polyoxotungstates now also with pentagonal units: supramolecular chemistry and tuning of magnetic exchange in {(M)M-5}(12)V-30 Keplerates (M = Mo, W) SO CHEMICAL COMMUNICATIONS LA English DT Article ID CAPSULE; MOLYBDENUM; TOPOLOGY; CLUSTERS; SURFACE; SPHERES AB The deliberate synthesis of the Keplerate [K-20 subset of {(W)W5O21(SO4)}(12)(VO)(30)(SO4)(H2O)(63)](18-) 1a with 20 pores all closed by K+ in a supramolecular fashion proves that it is possible to follow new routes in polyoxotungstate chemistry based on pentagonal {(W)W-5}-type units and to tune magnetic exchange couplings in {(M)M-5}(12)M'(30) type Keplerates. C1 [Todea, Ana Maria; Merca, Alice; Boegge, Hartmut; Glaser, Thorsten; Mueller, Achim] Univ Bielefeld, Fak Chem, D-33501 Bielefeld, Germany. [Engelhardt, Larry] Francis Marion Univ, Dept Phys & Astron, Florence, SC 29501 USA. [Prozorov, Ruslan; Lubanc, Marshall] Iowa State Univ, Ames Lab, Dept Phys & Astron, Ames, IA 50011 USA. RP Muller, A (reprint author), Univ Bielefeld, Fak Chem, Postfach 100131, D-33501 Bielefeld, Germany. EM a.mueller@uni-bielefeld.de RI Prozorov, Ruslan/A-2487-2008; Glaser, Thorsten/H-5187-2013; OI Prozorov, Ruslan/0000-0002-8088-6096; Glaser, Thorsten/0000-0003-2056-7701; Muller, Achim/0000-0003-0117-4021 FU Deutsche Forschungsgemeinschaft; Fonds der Chemischen Industrie; Basic Energy Sciences, Department of Energy [DE-AC02-07CH11358] FX A. M. gratefully acknowledges the continuous financial support of the Deutsche Forschungsgemeinschaft and the Fonds der Chemischen Industrie. Work at the Ames Laboratory was supported by the Basic Energy Sciences, Department of Energy under Contract No. DE-AC02-07CH11358. NR 37 TC 28 Z9 28 U1 1 U2 8 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2009 IS 23 BP 3351 EP 3353 DI 10.1039/b907188a PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 454ID UT WOS:000266674700006 PM 19503867 ER PT J AU Arceo, E Marsden, P Bergman, RG Ellman, JA AF Arceo, Elena Marsden, Peter Bergman, Robert G. Ellman, Jonathan A. TI An efficient didehydroxylation method for the biomass-derived polyols glycerol and erythritol. Mechanistic studies of a formic acid-mediated deoxygenation SO CHEMICAL COMMUNICATIONS LA English DT Article ID ALLYL ALCOHOL; TRANSFORMATION; CHEMICALS; CATALYST; ACROLEIN; DIOLS AB An efficient 1,2-deoxygenation method, involving an unexpected mechanism, was found for simple diols and for biomass-derived polyols (glycerol and erythritol) that results in the conversion of the 1,2-dihydroxy group to a carbon-carbon double bond. C1 [Arceo, Elena; Marsden, Peter; Bergman, Robert G.; Ellman, Jonathan A.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Bergman, Robert G.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Bergman, RG (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM rbergman@berkeley.edu; jellman@berkeley.edu RI Ellman, Jonathan/C-7732-2013 FU Dow Chemical Co.; U.S. Department of Energy [DE-AC02-05CH11231]; Fulbright Program; Ministry of Science and Innovation (Spain) FX The authors gratefully acknowledge Dow Chemical Co. and Director, Office of Science, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231 (to R.G.B. and J.A.E.) for support of this work and the postdoctoral scholarship support of the Fulbright Program and the Ministry of Science and Innovation (Spain) (to E. A.). NR 17 TC 53 Z9 54 U1 3 U2 41 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2009 IS 23 BP 3357 EP 3359 DI 10.1039/b907746d PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 454ID UT WOS:000266674700008 PM 19503869 ER PT J AU Readman, JE Forster, PM Chapman, KW Chupas, PJ Parise, JB Hriljac, JA AF Readman, Jennifer E. Forster, Paul M. Chapman, Karena W. Chupas, Peter J. Parise, John B. Hriljac, Joseph A. TI Pair distribution function analysis of pressure treated zeolite Na-A SO CHEMICAL COMMUNICATIONS LA English DT Article ID X-RAY-DIFFRACTION; INDUCED HYDRATION; POWDER DIFFRACTION; IONIC-CONDUCTION; LI-A; AMORPHIZATION; NATROLITE; EDINGTONITE; LAUMONTITE; EXPANSION AB Pair distribution function studies using X-ray scattering data from zeolite Na-A samples treated at pressure up to 8 GPa indicate a pressure-induced amorphisation mechanism involving loss of crystallographic order of the aluminosilicate framework but retention of the local sodium to oxygen bonding. C1 [Readman, Jennifer E.; Hriljac, Joseph A.] Univ Birmingham, Sch Chem, Birmingham B15 2TT, W Midlands, England. [Forster, Paul M.; Parise, John B.] SUNY Stony Brook, Dept Geosci, Stony Brook, NY 11794 USA. [Chapman, Karena W.; Chupas, Peter J.] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. RP Hriljac, JA (reprint author), Univ Birmingham, Sch Chem, POB 363, Birmingham B15 2TT, W Midlands, England. EM chapmank@aps.anl.gov; chupas@anl.gov; john.parise@sunysb.edu; j.a.hriljac@bham.ac.uk RI Chapman, Karena/G-5424-2012; Readman, Jennifer/A-2722-2016; OI Readman, Jennifer/0000-0002-8170-5533; Forster, Paul/0000-0003-3319-4238 FU US DOE; Office of Science, Office of Basic Energy Sciences [DEAC02-06CH11357]; EPSRC; [NSF-DMR-0800415] FX Work at Argonne National Laboratory and use of the APS were supported by the US DOE, Office of Science, Office of Basic Energy Sciences, through contract No. DEAC02-06CH11357. JBP and PMF were supported by NSF-DMR-0800415 and JER by the EPSRC. The ex situ samples were produced at beamline X17B2 at the NSLS at Brookhaven National Laboratory. NR 39 TC 15 Z9 15 U1 0 U2 12 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2009 IS 23 BP 3383 EP 3385 DI 10.1039/b902874a PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 454ID UT WOS:000266674700017 PM 19503878 ER PT J AU Zidan, R Garcia-Diaz, BL Fewox, CS Stowe, AC Gray, JR Harter, AG AF Zidan, Ragaiy Garcia-Diaz, Brenda L. Fewox, Christopher S. Stowe, Ashley C. Gray, Joshua R. Harter, Andrew G. TI Aluminium hydride: a reversible material for hydrogen storage SO CHEMICAL COMMUNICATIONS LA English DT Article ID KINETICS; LITHIUM; ALH3 AB Aluminium hydride has been synthesized electrochemically, providing a synthetic route which closes a reversible cycle for regeneration of the material and bypasses expensive thermodynamic costs which have precluded AlH(3) from being considered as a H(2) storage material. C1 [Zidan, Ragaiy; Garcia-Diaz, Brenda L.; Fewox, Christopher S.; Stowe, Ashley C.; Gray, Joshua R.; Harter, Andrew G.] Savannah River Natl Lab, Energy Secur Directorate, Aiken, SC 29808 USA. RP Zidan, R (reprint author), Savannah River Natl Lab, Energy Secur Directorate, POB A, Aiken, SC 29808 USA. EM Ragaiy.Zidan@srnl.doe.gov OI Harter, Andrew/0000-0003-3007-4601 FU EERE (Energy Efficiency and Renewable Energy) [EB4202000] FX Work presented here is supported by the DOE office of EERE (Energy Efficiency and Renewable Energy) Contract Number EB4202000. Our gratitude is extended to Dr Robert Lascola for his expertise in characterizing materials using Raman spectroscopy. Special thanks are given to Joseph G. Wheeler for whose assistance and guidance we are extremely grateful. NR 19 TC 47 Z9 48 U1 2 U2 45 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2009 IS 25 BP 3717 EP 3719 DI 10.1039/b901878f PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 462NX UT WOS:000267362200011 PM 19557259 ER PT J AU Gadzikwa, T Farha, OK Mulfort, KL Hupp, JT Nguyen, ST AF Gadzikwa, Tendai Farha, Omar K. Mulfort, Karen L. Hupp, Joseph T. Nguyen, SonBinh T. TI A Zn-based, pillared paddlewheel MOF containing free carboxylic acids via covalent post-synthesis elaboration SO CHEMICAL COMMUNICATIONS LA English DT Article ID METAL-ORGANIC FRAMEWORK; SELECTIVE SORPTION; COORDINATION; SEPARATION; FUNCTIONALIZATION; CATALYSIS; BINDING; LIGAND; HYDROCARBONS; REDUCTION AB A Zn-based, mixed-ligand (pillared paddlewheel), metal-organic framework (MOF) has been covalently and quantitatively decorated with free carboxylic acids to demonstrate the utility of covalent post-synthesis modification in the construction of otherwise inaccessible carboxy-functionalized MOFs. C1 [Gadzikwa, Tendai; Farha, Omar K.; Mulfort, Karen L.; Hupp, Joseph T.; Nguyen, SonBinh T.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. [Gadzikwa, Tendai; Farha, Omar K.; Mulfort, Karen L.; Hupp, Joseph T.; Nguyen, SonBinh T.] Northwestern Univ, Inst Catalysis Energy Proc, Evanston, IL 60208 USA. [Mulfort, Karen L.] Argonne Natl Lab, Div Chem Sci & Engn, Argonne, IL 60439 USA. RP Hupp, JT (reprint author), Northwestern Univ, Dept Chem, 2145 Sheridan Rd, Evanston, IL 60208 USA. EM j.hupp@northwestern.edu; stn@northwestern.edu RI Hupp, Joseph/K-8844-2012; Farha, Omar/B-5512-2014; Nguyen, SonBinh/C-1682-2014; OI Hupp, Joseph/0000-0003-3982-9812; Farha, Omar/0000-0002-9904-9845; Nguyen, SonBinh/0000-0002-6977-3445; Gadzikwa, Tendai/0000-0002-0144-467X FU Northwestern University [DE-FG02-03ER15457]; Northwestern Nanoscale Science and Engineering Center [EEC-0647560] FX We acknowledge financial support by the DOE-funded Institute for Catalysis in Energy Processes at Northwestern University (Grant # DE-FG02-03ER15457), the NSF-funded Northwestern Nanoscale Science and Engineering Center (Grant # EEC-0647560), DTRA/ARO, and AFOSR. KLM was a Lab-Grad Fellow at Argonne National Laboratory. NR 43 TC 87 Z9 87 U1 6 U2 72 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2009 IS 25 BP 3720 EP 3722 DI 10.1039/b823392f PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 462NX UT WOS:000267362200012 PM 19557260 ER PT J AU Graves, CR Kiplinger, JL AF Graves, Christopher R. Kiplinger, Jaqueline L. TI Pentavalent uranium chemistry-synthetic pursuit of a rare oxidation state SO CHEMICAL COMMUNICATIONS LA English DT Review ID ELECTROLYTIC REDUCTION PROCESSES; RAY-ABSORPTION SPECTROSCOPY; NUCLEAR MAGNETIC-RESONANCE; ELECTRONIC-STRUCTURE; DIMETHYL-SULFOXIDE; URANYL COMPLEXES; ORGANOURANIUM(V) COMPOUNDS; ARYLOXIDE DERIVATIVES; CRYSTAL-STRUCTURES; TRIVALENT URANIUM AB This feature article presents a comprehensive overview of pentavalent uranium systems in non-aqueous solution with a focus on the various synthetic avenues employed to access this unusual and very important oxidation state. Selected characterization data and theoretical aspects are also included. The purpose is to provide a perspective on this rapidly evolving field and identify new possibilities for future developments in pentavalent uranium chemistry. C1 [Graves, Christopher R.; Kiplinger, Jaqueline L.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Kiplinger, JL (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM kiplinger@lanl.gov RI Kiplinger, Jaqueline/B-9158-2011 OI Kiplinger, Jaqueline/0000-0003-0512-7062 NR 104 TC 91 Z9 91 U1 4 U2 43 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2009 IS 26 BP 3831 EP 3853 DI 10.1039/b902969a PG 23 WC Chemistry, Multidisciplinary SC Chemistry GA 461VE UT WOS:000267299500001 PM 19662233 ER PT J AU Tsai, AS Wilson, RM Harada, H Bergman, RG Ellman, JA AF Tsai, Andy S. Wilson, Rebecca M. Harada, Hitoshi Bergman, Robert G. Ellman, Jonathan A. TI Rhodium catalyzed enantioselective cyclization of substituted imidazoles via C-H bond activation SO CHEMICAL COMMUNICATIONS LA English DT Article ID MECHANISTIC ASPECTS; COMPLEX; FUNCTIONALIZATION; HYDROGENATION; HETEROCYCLES; DIHYDROGEN; INSERTION; LIGANDS; ALKENES; ACIDS AB The enantioselective intramolecular alkylation of substituted imidazoles with enantiomeric excesses up to 98% has been accomplished by rhodium catalyzed C-H bond functionalization with (S, S', R, R') TangPhos as the chiral ligand. C1 [Bergman, Robert G.] Univ Calif Berkeley, Div Chem Sci, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Tsai, Andy S.; Wilson, Rebecca M.; Harada, Hitoshi; Bergman, Robert G.; Ellman, Jonathan A.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. RP Bergman, RG (reprint author), Univ Calif Berkeley, Div Chem Sci, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM rbergman@berkeley.edu; jellman@berkeley.edu RI Ellman, Jonathan/C-7732-2013 FU National Institutes of Health [GM069559]; Office of Basic Energy Sciences, Chemical Sciences Division, US Department of Energy [DE-AC02-05CH11231] FX We acknowledge the support by the National Institutes of Health under Grant GM069559 (JAE) and the Office of Basic Energy Sciences, Chemical Sciences Division, US Department of Energy, under Contract DE-AC02-05CH11231 (RGB). NR 20 TC 26 Z9 26 U1 0 U2 22 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2009 IS 26 BP 3910 EP 3912 DI 10.1039/b902878a PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 461VE UT WOS:000267299500017 PM 19662249 ER PT J AU Ma, SQ Simmons, JM Yuan, DQ Li, JR Weng, W Liu, DJ Zhou, HC AF Ma, Shengqian Simmons, Jason M. Yuan, Daqiang Li, Jian-Rong Weng, Wei Liu, Di-Jia Zhou, Hong-Cai TI A nanotubular metal-organic framework with permanent porosity: structure analysis and gas sorption studies SO CHEMICAL COMMUNICATIONS LA English DT Article ID HIGH H-2 ADSORPTION; HYDROGEN STORAGE; METHANE ADSORPTION; SELECTIVE SORPTION; THERMAL-STABILITY; CARBON-DIOXIDE; SURFACE-AREA; MOLECULES; DESIGN; SEPARATION AB A nanotubular metal-organic framework, PCN-19, was constructed based on a mu(3)-oxo-trinickel basic carboxylate secondary building unit (SBU) and the 9,10-anthracenedi-carboxylate ligand; its permanent porosity was confirmed by N(2) adsorption isotherms, and its H(2) storage performances were evaluated under both low and high pressures at 77 K. C1 [Ma, Shengqian; Weng, Wei; Liu, Di-Jia] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Yuan, Daqiang; Li, Jian-Rong; Zhou, Hong-Cai] Texas A&M Univ, Dept Chem, College Stn, TX 77842 USA. [Simmons, Jason M.] Natl Inst Stand & Technol, Ctr Neutron Res, Gaithersburg, MD 20899 USA. RP Ma, SQ (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM sma@anl.gov; jasons@nist.gov; zhou@mail.chem.tamu.edu RI Weng, Wei/A-7623-2010; Ma, Shengqian/B-4022-2012; Zhou, Hong-Cai/A-3009-2011; Yuan, Daqiang/F-5695-2010; Li, Jian-Rong (Jeff)/G-2781-2010 OI Ma, Shengqian/0000-0002-1897-7069; Zhou, Hong-Cai/0000-0002-9029-3788; Yuan, Daqiang/0000-0003-4627-072X; Zhou, Hong-Cai/0000-0003-0115-408X; NR 63 TC 62 Z9 62 U1 3 U2 32 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2009 IS 27 BP 4049 EP 4051 DI 10.1039/b906605e PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 465GQ UT WOS:000267571100014 PM 19568629 ER PT J AU Trovitch, RJ John, KD Martin, RL Obrey, SJ Scott, BL Sattelberger, AP Baker, RT AF Trovitch, Ryan J. John, Kevin D. Martin, Richard L. Obrey, Stephen J. Scott, Brian L. Sattelberger, Alfred P. Baker, R. Thomas TI Interplay of metal-allyl and metal-metal bonding in dimolybdenum allyl complexes SO CHEMICAL COMMUNICATIONS LA English DT Article ID SINGLE-COMPONENT; CARBON-MONOXIDE; M(ALLYL)(3) M; LIGANDS; POLYMERIZATION; TRIS(ALLYL)IRIDIUM; TRIS(ALLYL)RHODIUM; REACTIVITY; CATALYSTS; STYRENE AB Addition of PMe(3) to Mo(2)(allyl)(4) afforded Mo(2)(allyl)(4)(PMe(3))(2), in which two of the allyl groups adopt an unprecedented mu(2)-eta(1), eta(3) bonding mode; theoretical studies elucidate the roles of the sigma- and pi-donor ligands in the interplay of metal-allyl and metal-metal bonding. C1 [Trovitch, Ryan J.; John, Kevin D.; Martin, Richard L.; Obrey, Stephen J.; Scott, Brian L.] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. [Sattelberger, Alfred P.] Argonne Natl Lab, Argonne, IL 60439 USA. [Baker, R. Thomas] Univ Ottawa, Ctr Catalysis Res & Innovat, Ottawa, ON K1N 6N5, Canada. [Baker, R. Thomas] Univ Ottawa, Dept Chem, Ottawa, ON K1N 6N5, Canada. RP John, KD (reprint author), Los Alamos Natl Lab, Div Chem, MS J582, Los Alamos, NM 87545 USA. EM kjohn@lanl.gov; asattelberger@anl.gov; rbaker@uottawa.ca RI Scott, Brian/D-8995-2017; OI Scott, Brian/0000-0003-0468-5396; John, Kevin/0000-0002-6181-9330 NR 36 TC 3 Z9 3 U1 0 U2 3 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2009 IS 28 BP 4206 EP 4208 DI 10.1039/b908032e PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 468HN UT WOS:000267808000013 PM 19585022 ER PT J AU Liu, JW Stace-Naughton, A Brinker, CJ AF Liu, Juewen Stace-Naughton, Alison Brinker, C. Jeffrey TI Silica nanoparticle supported lipid bilayers for gene delivery SO CHEMICAL COMMUNICATIONS LA English DT Article ID GOLD NANOPARTICLES; IN-VIVO; DNA; TRANSFECTION; THERAPY; COMPLEXES; CELLS; EXPRESSION; LIPOSOMES; VECTORS AB Silica nanoparticle supported cationic lipids can effectively bind plasmid DNAs and transfect mammalian cells with an efficiency that depends on both the particle size and lipid composition; here the gene delivery and expression process has been confirmed by confocal fluorescence microscopy. C1 [Liu, Juewen; Stace-Naughton, Alison; Brinker, C. Jeffrey] Univ New Mexico, Ctr Microengineered Mat, Albuquerque, NM 87131 USA. [Brinker, C. Jeffrey] Univ New Mexico, Sandia Natl Labs, Dept Chem & Nucl Engn, Albuquerque, NM 87131 USA. [Brinker, C. Jeffrey] Univ New Mexico, Sandia Natl Labs, Dept Mol Genet & Microbiol, Albuquerque, NM 87131 USA. RP Brinker, CJ (reprint author), Univ New Mexico, Ctr Microengineered Mat, Albuquerque, NM 87131 USA. EM cjbrink@sandia.gov RI Liu, Juewen/A-2701-2014; OI Liu, Juewen/0000-0001-5918-9336 FU USA NIH through the NIH Roadmap for Medical Research, DOE Office of Science and Air Force Office of Scientific Research FX We acknowledge funding from the USA NIH through the NIH Roadmap for Medical Research, DOE Office of Science and Air Force Office of Scientific Research. NR 26 TC 41 Z9 41 U1 3 U2 30 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2009 IS 34 BP 5100 EP 5102 DI 10.1039/b911472f PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 484WY UT WOS:000269081900007 PM 20448959 ER PT J AU Dato, A Lee, Z Jeon, KJ Erni, R Radmilovic, V Richardson, TJ Frenklach, M AF Dato, Albert Lee, Zonghoon Jeon, Ki-Joon Erni, Rolf Radmilovic, Velimir Richardson, Thomas J. Frenklach, Michael TI Clean and highly ordered graphene synthesized in the gas phase SO CHEMICAL COMMUNICATIONS LA English DT Article ID EPITAXIAL GRAPHENE; LAYER GRAPHENE; GRAPHITE OXIDE; FILMS; SHEETS AB We report that the substrate-free gas-phase graphene synthesis method produces clean and highly ordered graphene sheets that are similar in quality to the graphene obtained through the mechanical exfoliation of highly oriented pyrolytic graphite. C1 [Dato, Albert] Univ Calif Berkeley, Appl Sci & Technol Grad Grp, Berkeley, CA 94720 USA. [Lee, Zonghoon; Erni, Rolf; Radmilovic, Velimir] Univ Calif Berkeley, Lawrence Berkeley Lab, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA. [Jeon, Ki-Joon; Richardson, Thomas J.] Univ Calif Berkeley, Lawrence Berkeley Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. [Frenklach, Michael] Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. RP Dato, A (reprint author), Univ Calif Berkeley, Appl Sci & Technol Grad Grp, Berkeley, CA 94720 USA. EM amdato@newton.berkeley.edu; zhlee@lbl.gov RI Lee, Zonghoon/G-1474-2011; Erni, Rolf/P-7435-2014 OI Lee, Zonghoon/0000-0003-3246-4072; Erni, Rolf/0000-0003-2391-5943 FU National Aeronautics and Space Administration; National Center for Electron Microscopy; Lawrence Berkeley Lab; US Department of Energy [DE-AC02-5CH11231] FX This work was supported by the National Aeronautics and Space Administration and the National Center for Electron Microscopy, Lawrence Berkeley Lab, which is supported by the US Department of Energy under Contract # DE-AC02-5CH11231. NR 20 TC 37 Z9 37 U1 2 U2 48 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2009 IS 40 BP 6095 EP 6097 DI 10.1039/b911395a PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 503NF UT WOS:000270542300041 PM 19809655 ER PT J AU Medforth, CJ Wang, ZC Martin, KE Song, YJ Jacobsen, JL Shelnutt, JA AF Medforth, Craig John Wang, Zhongchun Martin, Kathleen Ewing Song, Yujiang Jacobsen, John Lewis Shelnutt, John Allen TI Self-assembled porphyrin nanostructures SO CHEMICAL COMMUNICATIONS LA English DT Article ID COLORIMETRIC SENSOR ARRAY; PHOTO-REDUCTION; WATER; NANOPARTICLES; METALLIZATION; NANOFLOWERS; NANOTUBES; NANORODS; HYDROGEN; LIPOPORPHYRIN AB Porphyrins and related tetrapyrroles have been extensively studied because of their importance in biological processes and they are often used in the development of artificial photosynthesis, catalysis, and sensor systems. Challenges in the development of functional nanoscale porphyrin systems are many, including the need to organize the porphyrins (e. g., to facilitate processes such as energy- and electron transfer) and to couple the porphyrin nanostructures to other nanoscale components (e. g., catalytic elements and conductors) to produce multifunctional nanoscale systems. This article summarizes recent advances in the synthesis of discrete self-assembled porphyrin nanostructures with well-defined shapes and sizes. A novel method for growing metal on the porphyrin nanostructures to produce nanocomposites with metal catalysts or interconnects is also described. Current and potential applications of these nanostructures and porphyrin-metal nanocomposites are discussed. C1 [Medforth, Craig John; Wang, Zhongchun; Martin, Kathleen Ewing; Song, Yujiang; Shelnutt, John Allen] Sandia Natl Labs, Adv Mat Lab, Albuquerque, NM 87185 USA. [Medforth, Craig John; Martin, Kathleen Ewing] Univ New Mexico, Dept Chem & Nucl Engn, Albuquerque, NM 87106 USA. [Jacobsen, John Lewis] Univ Calif Davis, Dept Chem, Davis, CA 95616 USA. [Shelnutt, John Allen] Univ Georgia, Dept Chem, Athens, GA 30602 USA. RP Shelnutt, JA (reprint author), Sandia Natl Labs, Adv Mat Lab, 1001 Univ Blvd SE, Albuquerque, NM 87185 USA. EM jasheln@unm.edu RI Shelnutt, John/A-9987-2009; Song, Yujiang/A-8700-2009; Medforth, Craig/D-8210-2013; REQUIMTE, FMN/M-5611-2013; REQUIMTE, UCIBIO/N-9846-2013 OI Shelnutt, John/0000-0001-7368-582X; Medforth, Craig/0000-0003-3046-4909; FU US Department of Energy [DE-FG02-02ER15369, DE-AC04-94AL85000] FX This work was supported by the US Department of Energy (DE-FG02-02ER15369). Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. We would like to thank the many people who have contributed to the work described in this article: Prof. Neil E. Schore (UC Davis), Patrick Berget (UC Davis), Michael Varela (UC Davis), Robert M. Garcia (UNM), Leslie E Lybarger (UNM), Amit Lakhani (UNM), Kuangchiu J. Ho (UNM), Frank van Swol (Sandia National Laboratories), James E. Miller (Sandia National Laboratories), Weishi Wang (University of Central Florida), and Zhiyong Li (Hewlett-Packard Laboratories, Palo Alto). NR 58 TC 138 Z9 140 U1 7 U2 88 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2009 IS 47 BP 7261 EP 7277 DI 10.1039/b914432c PG 17 WC Chemistry, Multidisciplinary SC Chemistry GA 523WT UT WOS:000272106200001 PM 20024202 ER PT J AU Liang, HY Raitano, JM Zhang, LH Chan, SW AF Liang, Hongying Raitano, Joan M. Zhang, Lihua Chan, Siu-Wai TI Controlled synthesis of Co3O4 nanopolyhedrons and nanosheets at low temperature SO CHEMICAL COMMUNICATIONS LA English DT Article ID LITHIUM-ION BATTERIES; SHAPE-CONTROLLED SYNTHESIS; COBALT OXIDE; NANOCRYSTALLINE CO3O4; CONTROLLED GROWTH; NANOWIRE ARRAYS; ZINC-OXIDE; NANOPARTICLES; HEXAMETHYLENETETRAMINE; PERFORMANCE AB Cobalt oxide (Co3O4) nanopolyhedrons and nanosheets were controlled synthesized at the low temperature of 80 degrees C via a novel, simple, aqueous method; the obtained nanosheets are only 2-3 nm thick. C1 [Liang, Hongying; Raitano, Joan M.; Chan, Siu-Wai] Columbia Univ, New York, NY 10027 USA. [Zhang, Lihua] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Chan, SW (reprint author), Columbia Univ, New York, NY 10027 USA. EM sc174@columbia.edu RI Zhang, Lihua/F-4502-2014 FU US Department of Energy [DOE DE-FG02-05ER15730, DE-AC02-98CH10886]; National Science Foundation [DMR-0213574] FX This work was supported by the US Department of Energy under Award Number DOE DE-FG02-05ER15730 and by the MRSEC Program of the National Science Foundation under Award Number DMR-0213574. Research carried out in part at the Center for Functional Nanomaterials, Brookhaven National Laboratory, which is supported by the US Department of Energy, under Contract Number DE-AC02-98CH10886. NR 40 TC 43 Z9 43 U1 6 U2 68 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2009 IS 48 BP 7569 EP 7571 DI 10.1039/b914447a PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 525TJ UT WOS:000272238900033 PM 20024282 ER PT J AU Muckerman, JT Fujita, E AF Muckerman, James T. Fujita, Etsuko BE Zaikowski, L Friedrich, JM Seidel, SR TI Artificial Photosynthesis SO CHEMICAL EVOLUTION II: FROM THE ORIGINS OF LIFE TO MODERN SOCIETY SE ACS Symposium Series LA English DT Proceedings Paper CT Symposium on Chemical Evolution II held at the 235th ACS National Meeting CY APR 07-08, 2008 CL New Orleans, LA SP Amer Chem Soc ID VISIBLE-LIGHT IRRADIATION; TRANSITION-METAL-COMPLEXES; WATER-OXIDATION CATALYST; (GA1-XZNX)(N1-XOX) SOLID-SOLUTION; DOPED TITANIUM-DIOXIDE; ELECTROCATALYTIC HYDROGEN EVOLUTION; RUTHENIUM DIIMINE COMPLEXES; MIXED-OXIDE NANOPARTICLES; OXYGEN-EVOLVING CENTER; IRON-ONLY HYDROGENASE AB Research in artificial photosynthesis seeks to replicate the natural process of photosynthesis that converts water and carbon dioxide into carbohydrates and oxygen using sunlight as the energy source. The visible-light driven splitting of water into hydrogen and oxygen and the production of methanol from CO2 reduction are sometimes included in the definition. There are two distinct approaches to artificial photosynthesis: structural models vs. functional models of the natural systems. We are pursuing functional models as exemplified in recent work on hydrogenase-inspired catalysts for H-2 production. The function of the chlorophyll arrays in plants might be replaced with a suitable band-gap-narrowed semiconductor photoanode in an electrochemical cell with an attached molecular multi-electron water oxidation catalyst. The role of the NADH co-factor as the carrier and donor of two electrons and a proton might be replaced by a photogenerated hydride donor to carry out the function of Photosystem I. Here we briefly review the catalytic production of oxygen, hydrogen and methanol from water and carbon dioxide using transition-metal complexes as catalysts, and we describe progress in our recent work and that of others. C1 [Muckerman, James T.; Fujita, Etsuko] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Muckerman, JT (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RI Fujita, Etsuko/D-8814-2013; Muckerman, James/D-8752-2013 NR 187 TC 1 Z9 1 U1 2 U2 14 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 SIXTEENTH ST NW, WASHINGTON, DC 20036 USA SN 0097-6156 J9 ACS SYM SER JI ACS Symp. Ser. PY 2009 VL 1025 BP 283 EP 312 PG 30 WC Chemistry, Multidisciplinary SC Chemistry GA BQE87 UT WOS:000280805500015 ER PT J AU Ghirardi, ML Dubini, A Yu, JP Maness, PC AF Ghirardi, Maria Lucia Dubini, Alexandra Yu, Jianping Maness, Pin-Ching TI Photobiological hydrogen-producing systems SO CHEMICAL SOCIETY REVIEWS LA English DT Review ID SP PCC 6803; PHOTOSYSTEM-II; CHLAMYDOMONAS-REINHARDTII; BIDIRECTIONAL HYDROGENASE; ELECTRON-TRANSFER; CRYSTAL-STRUCTURE; CHARGE RECOMBINATION; DESULFOVIBRIO-GIGAS; IRON HYDROGENASE; GREEN-ALGAE AB Hydrogen photoproduction by micro-organisms combines the photosynthetic properties of oxygenic and non-oxygenic microbes with the activity of H(2)-producing enzymes in nature: hydrogenases and nitrogenases. The overall efficiency of the process depends on the separate efficiencies of photosynthesis and enzymatic catalysis. This tutorial review discusses the biochemical pathways for H(2) production in different organisms, barriers to be overcome, and possible suggestions for integrating photobiological H(2) production with fermentative, anaerobic systems for a potentially more efficient process. C1 [Ghirardi, Maria Lucia; Dubini, Alexandra; Yu, Jianping; Maness, Pin-Ching] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Ghirardi, ML (reprint author), Natl Renewable Energy Lab, 1617 Cole Blvd, Golden, CO 80401 USA. EM maria_ghirardi@nrel.gov RI dubini, alexandra /A-7252-2016 OI dubini, alexandra /0000-0001-8825-3915 FU US Department of Energy Office of Science; National Renewable Energy Laboratory [DEAC36-99GO10337] FX This work was supported by the US Department of Energy Office of Science (Basic Energy Science and BER) and the Hydrogen, Fuel Cells and Infrastructure Technologies Program under Contract No. DEAC36-99GO10337 with the National Renewable Energy Laboratory. We acknowledge Dr Paul King for the homology model of HYDA2 shown in Fig. 3a, and Dr Peter Wolk for discussions on carbon metabolism in heterocysts. NR 47 TC 161 Z9 165 U1 2 U2 64 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0306-0012 J9 CHEM SOC REV JI Chem. Soc. Rev. PY 2009 VL 38 IS 1 BP 52 EP 61 DI 10.1039/b718939g PG 10 WC Chemistry, Multidisciplinary SC Chemistry GA 384UE UT WOS:000261768900005 PM 19088964 ER PT J AU DuBois, MR DuBois, DL AF DuBois, M. Rakowski DuBois, Daniel L. TI The roles of the first and second coordination spheres in the design of molecular catalysts for H-2 production and oxidation SO CHEMICAL SOCIETY REVIEWS LA English DT Review ID HYDRIDE DONOR ABILITIES; TRANSITION-METAL HYDRIDES; PENDANT NITROGEN BASES; FE-ONLY HYDROGENASE; AB-INITIO CALCULATIONS; ACTIVE-SITE; DIPHOSPHINE LIGANDS; IRON(II) COMPLEXES; BITE ANGLE; DESULFOVIBRIO-DESULFURICANS AB This tutorial review describes the development of discrete transition metal complexes as electrocatalysts for H-2 formation and oxidation. The approach involves the study of thermodynamic properties of metal hydride intermediates and the design of ligands that incorporate proton relays. The work is inspired by structural features of the H(2)ase enzymes and should be of interest to researchers in the areas of biomimetic chemistry as well as catalyst design and hydrogen utilization. C1 [DuBois, M. Rakowski; DuBois, Daniel L.] Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99352 USA. RP DuBois, MR (reprint author), Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99352 USA. FU National Science Foundation [CHE-0240106] FX This work was supported by Grant CHE-0240106 from the National Science Foundation. The support of the Office of Basic Energy Sciences of the Department of Energy, by the Chemical Sciences program is also acknowledged. The Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy. NR 55 TC 302 Z9 302 U1 8 U2 109 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0306-0012 J9 CHEM SOC REV JI Chem. Soc. Rev. PY 2009 VL 38 IS 1 BP 62 EP 72 DI 10.1039/b801197b PG 11 WC Chemistry, Multidisciplinary SC Chemistry GA 384UE UT WOS:000261768900006 ER PT J AU Graetz, J AF Graetz, Jason TI New approaches to hydrogen storage SO CHEMICAL SOCIETY REVIEWS LA English DT Review ID COMPLEX HYDRIDES; THERMAL-DECOMPOSITION; METAL-BOROHYDRIDES; ALUMINUM HYDRIDES; CRYSTAL-STRUCTURE; POLYMORPHS; MAGNESIUM; ALANATE; ALH3; MG AB The emergence of a Hydrogen Economy will require the development of new media capable of safely storing hydrogen in a compact and light weight package. Metal hydrides and complex hydrides, where hydrogen is chemically bonded to the metal atoms in the bulk, offer some hope of overcoming the challenges associated with hydrogen storage. The objective is to find a material with a high volumetric and gravimetric hydrogen density that can also meet the unique demands of a low temperature automotive fuel cell. Currently, there is considerable effort to develop new materials with tunable thermodynamic and kinetic properties. This tutorial review provides an overview of the different types of metal hydrides and complex hydrides being investigated for on-board (reversible) and off-board (non-reversible) hydrogen storage along with a few new approaches to improving the hydrogenation-dehydrogenation properties. C1 Brookhaven Natl Lab, Upton, NY 11973 USA. RP Graetz, J (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM graetz@bnl.gov FU US Department of Energy [DE-AC02-98CH1-886] FX This work was supported through the Metal Hydrides Center of Excellence, Office of Energy Efficiency and Renewable Energy, and the Hydrogen Fuel Initiative, Office of Basic Energy Sciences, US Department of Energy under Contract No. DE-AC02-98CH1-886. NR 48 TC 415 Z9 421 U1 26 U2 224 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0306-0012 J9 CHEM SOC REV JI Chem. Soc. Rev. PY 2009 VL 38 IS 1 BP 73 EP 82 DI 10.1039/b718842k PG 10 WC Chemistry, Multidisciplinary SC Chemistry GA 384UE UT WOS:000261768900007 PM 19088966 ER PT J AU Woodhouse, M Parkinson, BA AF Woodhouse, Michael Parkinson, B. A. TI Combinatorial approaches for the identification and optimization of oxide semiconductors for efficient solar photoelectrolysis SO CHEMICAL SOCIETY REVIEWS LA English DT Review ID VISIBLE-LIGHT IRRADIATION; OPTICAL SCREENING METHOD; WATER OXIDATION; PHOTOASSISTED ELECTROLYSIS; ELECTROCHEMICAL SYNTHESIS; TITANIUM-DIOXIDE; HYDROGEN GENERATION; INORGANIC MATERIALS; FILM ELECTRODES; H-2 EVOLUTION AB The cost effective generation of hydrogen with sunlight via water photoelectrolysis is the critical breakthrough needed to transition the world to a renewable energy based hydrogen economy. A semiconductor based photoelectrolysis system may have cost advantages over using either a photovoltaic cell coupled to an electrolyzer or solar thermochemical cycles for water splitting. Unfortunately there is no known semiconducting material or combination of materials with the electronic properties and stability needed to efficiently photoelectrolyze water. Semiconducting oxides can have the required stability but present theoretical methods are insufficient to a priori identify materials with the required properties. Most likely, the discovered material will be a complex oxide containing many elements whereby each contributes to the required material properties such as light absorption across the solar spectrum, stability and electrocatalytic activity. The large number of possible multicomponent metal oxides, even if only ternary or quaternary materials are considered, points to the use of high-throughput combinatorial methods to discover and optimize candidate materials. In this critical review, we will cover some techniques for the combinatorial production and screening of metal oxides for their ability to efficiently split water with sunlight (88 references). C1 [Parkinson, B. A.] Univ Wyoming, Dept Chem, Laramie, WY 82071 USA. [Parkinson, B. A.] Univ Wyoming, Sch Energy Resources, Laramie, WY 82071 USA. [Woodhouse, Michael] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Parkinson, BA (reprint author), Univ Wyoming, Dept Chem, Laramie, WY 82071 USA. EM bparkin1@uwyo.edu NR 87 TC 147 Z9 148 U1 6 U2 120 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0306-0012 J9 CHEM SOC REV JI Chem. Soc. Rev. PY 2009 VL 38 IS 1 BP 197 EP 210 DI 10.1039/b719545c PG 14 WC Chemistry, Multidisciplinary SC Chemistry GA 384UE UT WOS:000261768900015 PM 19088974 ER PT J AU Hamilton, CW Baker, RT Staubitz, A Manners, I AF Hamilton, Charles W. Baker, R. Tom Staubitz, Anne Manners, Ian TI B-N compounds for chemical hydrogen storage SO CHEMICAL SOCIETY REVIEWS LA English DT Review ID METAL-ORGANIC FRAMEWORKS; AMINE-BORANE ADDUCTS; CERAMIC CONVERSION REACTIONS; YIELD POLYMERIC PRECURSOR; INITIO DIRECT DYNAMICS; BORON-NITROGEN BONDS; MAIN-GROUP ELEMENTS; AMMONIA-BORANE; THERMAL-DECOMPOSITION; CATALYZED DEHYDROGENATION AB Hydrogen storage for transportation applications requires high volumetric and gravimetric storage capacity. B-N compounds are well suited as storage materials due to their light weight and propensity for bearing multiple protic (N-H) and hydridic (B-H) hydrogens. This critical review briefly covers the various methods of hydrogen storage, and then concentrates on chemical hydrogen storage using B-N compounds. The simplest B-N compound, ammonia borane (H(3)NBH(3)), which has a potential 19.6 wt% hydrogen storage capacity, will be emphasised (127 references). C1 [Baker, R. Tom] Univ Ottawa, Dept Chem, Ottawa, ON K1N 6N5, Canada. [Hamilton, Charles W.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Staubitz, Anne; Manners, Ian] Univ Bristol, Sch Chem, Bristol BS8 1TS, Avon, England. RP Baker, RT (reprint author), Univ Ottawa, Dept Chem, 10 Marie Curie, Ottawa, ON K1N 6N5, Canada. EM chamilton@lanl.gov; rbaker@uottawa.ca; Ian.Manners@bristol.ac.uk RI Staubitz, Anne/F-1140-2011; OI Staubitz, Anne/0000-0002-9040-3297; Manners, Ian/0000-0002-3794-967X NR 169 TC 578 Z9 582 U1 34 U2 310 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0306-0012 J9 CHEM SOC REV JI Chem. Soc. Rev. PY 2009 VL 38 IS 1 BP 279 EP 293 DI 10.1039/b800312m PG 15 WC Chemistry, Multidisciplinary SC Chemistry GA 384UE UT WOS:000261768900019 PM 19088978 ER PT J AU Peng, XH Chen, JY Misewich, JA Wong, SS AF Peng, Xiaohui Chen, Jingyi Misewich, James A. Wong, Stanislaus S. TI Carbon nanotube-nanocrystal heterostructures SO CHEMICAL SOCIETY REVIEWS LA English DT Review ID GOLD NANOPARTICLE ARRAYS; METHANOL FUEL-CELLS; IN-SITU SYNTHESIS; QUANTUM DOTS; METAL NANOPARTICLES; ROOM-TEMPERATURE; SEMICONDUCTOR NANOCRYSTALS; PLATINUM NANOPARTICLES; ELECTRONIC-STRUCTURE; RAMAN-SPECTROSCOPY AB The importance of generating carbon nanotube-nanoparticle heterostructures is that these composites ought to take advantage of and combine the unique physical and chemical properties of both carbon nanotubes and nanoparticles in one discrete structure. These materials have potential applicability in a range of diverse fields spanning heterogeneous catalysis to optoelectronic device development, of importance to chemists, physicists, materials scientists, and engineers. In this critical review, we present a host of diverse, complementary strategies for the reliable synthesis of carbon nanotube-nanoparticle heterostructures using both covalent as well as non-covalent protocols, incorporating not only single-walled and multi-walled carbon nanotubes but also diverse classes of metallic and semiconducting nanoparticles (221 references). C1 [Peng, Xiaohui; Wong, Stanislaus S.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. [Chen, Jingyi; Misewich, James A.; Wong, Stanislaus S.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. RP Wong, SS (reprint author), SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. EM sswong@notes.cc.sunysb.edu RI Chen, Jingyi/E-7168-2010 OI Chen, Jingyi/0000-0003-0012-9640 FU US Department of Energy [DE-AC02-98CH10886]; National Science Foundation(CAREER Award) [DMR-0348239]; Alfred P. Sloan Foundation FX We acknowledge the US Department of Energy (DE-AC02-98CH10886) for facility and personnel support. We also thank the National Science Foundation (CAREER Award DMR-0348239), and the Alfred P. Sloan Foundation for support and experimental supplies. NR 219 TC 192 Z9 192 U1 8 U2 111 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0306-0012 J9 CHEM SOC REV JI Chem. Soc. Rev. PY 2009 VL 38 IS 4 BP 1076 EP 1098 DI 10.1039/b811424m PG 23 WC Chemistry, Multidisciplinary SC Chemistry GA 423VL UT WOS:000264523700017 PM 19421582 ER PT J AU Allendorf, MD Bauer, CA Bhakta, RK Houk, RJT AF Allendorf, M. D. Bauer, C. A. Bhakta, R. K. Houk, R. J. T. TI Luminescent metal-organic frameworks SO CHEMICAL SOCIETY REVIEWS LA English DT Review ID TERBIUM DIPICOLINATE PHOTOLUMINESCENCE; ISOPHTHALATE COORDINATION POLYMERS; BACTERIAL SPORE DETECTION; ACID N-OXIDE; CRYSTAL-STRUCTURES; FLUORESCENT EMISSION; MAGNETIC-PROPERTIES; MICROPOROUS METAL; MIXED-LIGANDS; HYDROTHERMAL SYNTHESIS AB Metal-organic frameworks (MOFs) display a wide range of luminescent behaviors resulting from the multifaceted nature of their structure. In this critical review we discuss the origins of MOF luminosity, which include the linker, the coordinated metal ions, antenna effects, excimer and exciplex formation, and guest molecules. The literature describing these effects is comprehensively surveyed, including a categorization of each report according to the type of luminescence observed. Finally, we discuss potential applications of luminescent MOFs. This review will be of interest to researchers and synthetic chemists attempting to design luminescent MOFs, and those engaged in the extension of MOFs to applications such as chemical, biological, and radiation detection, medical imaging, and electro-optical devices (141 references). C1 [Allendorf, M. D.; Bhakta, R. K.; Houk, R. J. T.] Sandia Natl Labs, Livermore, CA 94550 USA. [Bauer, C. A.] Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA. RP Allendorf, MD (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. FU Sandia National Laboratories Laboratory Directed Research and Development Program; Sandia Corporation; Lockheed Martin company; U.S. Department of Energy [DE-AC04-94AL85000] FX Support for this work was provided by the Sandia National Laboratories Laboratory Directed Research and Development Program. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin company, for the U.S. Department of Energy under contract DE-AC04-94AL85000. NR 142 TC 2678 Z9 2700 U1 256 U2 1611 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0306-0012 J9 CHEM SOC REV JI Chem. Soc. Rev. PY 2009 VL 38 IS 5 BP 1330 EP 1352 DI 10.1039/b802352m PG 23 WC Chemistry, Multidisciplinary SC Chemistry GA 453GD UT WOS:000266597700011 PM 19384441 ER PT J AU Zhou, L Gao, C Zhu, D Xu, W Chen, FF Palkar, A Echegoyen, L Kong, ESW AF Zhou, Li Gao, Chao Zhu, Dandan Xu, Weijian Chen, Fanqing Frank Palkar, Amit Echegoyen, Luis Kong, Eric Siu-Wai TI Facile Functionalization of Multilayer Fullerenes (Carbon Nano-Onions) by Nitrene Chemistry and "Grafting from" Strategy SO CHEMISTRY-A EUROPEAN JOURNAL LA English DT Article DE ATRP (atom transfer radical polymerization); cycloaddition; functionalization; grafting nano-onions ID TRANSFER RADICAL POLYMERIZATION; SURFACE-INITIATED POLYMERIZATION; RING-OPENING POLYMERIZATION; NANOTUBES; WATER; COPOLYMERS; BRUSHES; NANOCOMPOSITES; NANOPARTICLES; COMPLEXES AB Facile functionalization of multilayer fullerenes (carbon nano-onions, CNOs) was carried out by [2+ 1] cycloaddition of nitrenes. The products were further derivatized by using the "grafting from" strategy of in situ ring-opening polymerization (ROP) and atom transfer radical polymerization (ATRP). Using one-step nitrene chemistry with high-energy reagents, such as azidoethanol and azidoethyl 2-bromo-2-methyl propanoate, in N-methyl -2-pyrrolidone at 160 degrees C for 16 h, hydroxyl and bromide functionalities were introduced onto the surfaces of CNOs. These hydroxyl CNOs (CNO-OH) and bromic CNOs (CNO-Br) were extensively characterized by various techniques such as thermal gravimetric analysis (TGA), transmission electron microscopy (TEM), Raman spectroscopy and X-ray photo electron spectroscopy (XPS). TGA measurements indicated that the surface hydroxyl and bromide group density reached 1.49 and 0.49 mmolg(-1), respectively. The as-functionalized CNOs showed much better solubility in solvents than pristine CNOs. The CNO-OH were also observed to fluoresce at lambda = 453 nm in water. The CNO-OH and CNO-Br can be conveniently utilized as macroinitiators to conduct surface-initiated in-situ polymerizations. Poly(E-caprolactone) (PCL, 45wt%) and polystyrene (PS, 60wt%) were then grafted from surfaces of CNOs through the ROP of E-caprolactone with the macroinitiator CNO-OH and the ATRP of styrene with the macroinitiator CNO-Br, respectively. The structures and morphology of the resulting products were characterized by H-1 NMR, scanning electron microscopy (SEM), TEM, and atomic force microscopy (AFM). The polymer functionalized CNOs have good solubility/dispersibility in common organic solvents. The facile and scalable functionalization approaches can pave the way for the comprehensive investigation of chemistry of CNOs and fabrication of novel CNO-based nanomaterials and nanodevices. C1 [Zhou, Li; Gao, Chao] Zhejiang Univ, Minist Educ, Dept Polymer Sci & Engn, Hangzhou 310027, Peoples R China. [Zhou, Li; Gao, Chao] Zhejiang Univ, Minist Educ, Key Lab Macromol Synth & Functionalizat, Hangzhou 310027, Peoples R China. [Zhou, Li; Xu, Weijian] Hunan Univ, Coll Chem & Chem Engn, Inst Polymer Sci & Engn, Changsha 410082, Hunan, Peoples R China. [Zhu, Dandan] Shanghai Jiao Tong Univ, Coll Chem & Chem Engn, Shanghai 200240, Peoples R China. [Chen, Fanqing Frank] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA. [Palkar, Amit; Echegoyen, Luis] Clemson Univ, Dept Chem, Clemson, SC 29634 USA. [Kong, Eric Siu-Wai] Shanghai Jiao Tong Univ, Res Inst Micro Nanometer Sci & Technol, Shanghai 200240, Peoples R China. RP Gao, C (reprint author), Zhejiang Univ, Minist Educ, Dept Polymer Sci & Engn, 38 Zheda Rd, Hangzhou 310027, Peoples R China. EM chaogao@zju.edu.cn; weijxu@hnu.cn; eswkong@sjtu.edu.cn RI Echegoyen, Luis/B-4570-2011; Gao, Chao/C-1360-2014; zhou, li/J-1395-2014 OI zhou, li/0000-0003-0650-5256 FU National Natural Science Foundation of China [50773038]; National Basic Research Program of China (973 Program) [2007CB936000]; Science and Technology Commission of Shanghai Municipality [07pj14048]; Program for New Century Excellent Talents in University of China; Foundation for the Author of National Excellent Doctoral Dissertation of China [200527]; United States National Science Foundation [CHE-0509989]; National Science Foundation FX This work was financially supported by the National Natural Science Foundation of China (No. 50773038), National Basic Research Program of China (973 Program) (No. 2007CB936000), Science and Technology Commission of Shanghai Municipality (07pj14048), the Program for New Century Excellent Talents in University of China, and the Foundation for the Author of National Excellent Doctoral Dissertation of China (No. 200527). Financial support front the United States National Science Foundation for A.P. and L.E. (CHE-0509989) is greatly appreciated. This material is based on work supported by the National Science Foundation while L.E. was working at the foundation. All opinions, findings, conclusions, or recommendations expressed herein are those of the authors and do not necessarily reflect the views of the National Science Foundation. NR 62 TC 42 Z9 42 U1 1 U2 43 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 0947-6539 EI 1521-3765 J9 CHEM-EUR J JI Chem.-Eur. J. PY 2009 VL 15 IS 6 BP 1389 EP 1396 DI 10.1002/chem.200801642 PG 8 WC Chemistry, Multidisciplinary SC Chemistry GA 403PF UT WOS:000263093800014 PM 19115308 ER PT J AU Yang, ZB Vorpagel, ER Laskin, J AF Yang, Zhibo Vorpagel, Erich R. Laskin, Julia TI Influence of the Charge State on the Structures and Interactions of Vancomycin Antibiotics with Cell-Wall Analogue Peptides: Experimental and Theoretical Studies SO CHEMISTRY-A EUROPEAN JOURNAL LA English DT Article DE binding energy; charge state; density functional calculations; mass spectrometry; noncovalent interactions ID INFRARED RADIATIVE DISSOCIATION; SURFACE-INDUCED DISSOCIATION; RESONANCE MASS-SPECTROMETRY; GLYCOPEPTIDE ANTIBIOTICS; MOLECULAR RECOGNITION; GAS-PHASE; NONCOVALENT INTERACTIONS; ACTIVATION-ENERGIES; LIGAND-BINDING; RADICAL-CATION AB In this study we examined the effect of the charge state on the energetics and dynamics of dissociation of the noncovalent complex between the vancomvcin and the cell-wall peptide analogue N(alpha),N(beta)-diacetyl-L-Lys-D-Ala-D-Ala (V-Ac(2)LKDADA). The binding energies between the vancomycin and the peptide were obtained from the RRKM (Rice, Ramsperger, Kassel, Marcus) modeling of the time- and energy-resolved surface-induced dissociation (SID) experiments. Our results demonstrate that the stability of the complex towards fragmentation increases in the order: doubly protonated < singly protonated < deprotonated. Dissociation of the singly protonated and singly deprotonated complex is characterized by very large entropy effects, which indicate a substantial increase in the conformational flexibility of the resulting products. The experimental threshold energies of (1.75 +/- 0.08)eV ((40.3 +/- 1.8) kcal mol(-1)) and (1.34 +/- 0.08) eV ((30.9 +/- 1.8) kcal mol(-1)) obtained for the deprotonated and singly protonated complexes, respectively, are in excellent agreement with the results of density functional theory calculations. The increased stability of the deprotonated complex observed experimentally is attributed to the presence of three charged sites in the deprotonated complex, as compared with only one charged site in the singly protonated complex. The low binding energy of (0.93 +/- 0.04) eV ((21.4 +/- 0.9) kcal mol(-1)) obtained for the doubly protonated complex suggests that this ion is destabilized by Coulomb repulsion between the singly protonated vancomycin and the singly protonated peptide comprising the complex. C1 [Yang, Zhibo; Vorpagel, Erich R.; Laskin, Julia] Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99352 USA. RP Laskin, J (reprint author), Pacific NW Natl Lab, Div Chem & Mat Sci, POB 999,K8-88, Richland, WA 99352 USA. EM Julia.Laskin@pnl.gov RI Yang, Zhibo/E-4088-2010; Laskin, Julia/H-9974-2012 OI Laskin, Julia/0000-0002-4533-9644 FU Separations and Analysis Program of the Chemical Sciences Division; Office of Basic Energy Sciences of the US Department of Energy (DOE) FX The authors would like to thank Dr. Dunyou Wang for helpful suggestions regarding the electronic structure calculations. This study was supported by the grant from the Separations and Analysis Program of the Chemical Sciences Division, Office of Basic Energy Sciences of the US Department of Energy (DOE). The research described in this manuscript was performed at the W. R. Wiley Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by the DOE's Office of Biological and Environmental Research located at the Pacific Northwest National Laboratory (PNNL). PNNL is operated by Battelle for the U.S. Department of Energy. Theoretical calculations described in this work were performed by using the Molecular Science Computing Facility (MSCF) at EMSL and NWChem Version 5.1, developed and distributed by PNNL. NR 48 TC 10 Z9 10 U1 0 U2 5 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 0947-6539 J9 CHEM-EUR J JI Chem.-Eur. J. PY 2009 VL 15 IS 9 BP 2081 EP 2090 DI 10.1002/chem.200802010 PG 10 WC Chemistry, Multidisciplinary SC Chemistry GA 411DX UT WOS:000263629300011 PM 19156658 ER PT J AU Tian, GX Rao, LF Teat, SJ Liu, GK AF Tian, Guoxin Rao, Linfeng Teat, Simon J. Liu, Guokui TI Quest for Environmentally Benign Ligands for Actinide Separations: Thermodynamic, Spectroscopic, and Structural Characterization of U-VI Complexes with Oxa-Diamide and Related Ligands SO CHEMISTRY-A EUROPEAN JOURNAL LA English DT Article DE actinides; complexation; coordination modes; oxa-amides; thermodynamics; uranium ID VARIABLE TEMPERATURES; EXTRACTION; IONS; URANIUM(VI); TODGA; LANTHANIDES; HYDROLYSIS; CRYSTALS; ACID AB Complexation of U-VI with N,N,N',N'-tetramethyl-3-oxa-glutaramide (TMOGA) and N,N-dimethyl 3-oxa-glutaramic acid (DMOGA) was Studied in comparison with their dicarboxylate analogue, oxydiacetic acid (ODA). Thermodynamic parameters including stability constants, enthalphy. and entropy of complexation, were determined by spectrophotometry, potentiometry and calorimetry. Single-crystal X-ray diffraction, EXAFS spectroscopy. FT-IR absorption spectroscopy, and laser-induced luninescence spectroscopy were used to obtain structural information on the U-VI complexes. Like ODA, TMOGA and DMOGA form tridentate U-VI complexes, with three oxygen atoms (the amide. ether, and/or carboxylate oxygen) coordinating to the linear UO22+ ion through the equatorial plane. The stability constants, enthalphy, and entropy of complexation all decrease in the order ODA>DMOGA>TMOGA, showing that the complexation is entropy driven and the substitution of a carboxylate group with an amide group reduces the strength of complexation with U-VI due to the decrease in the entropy of complexation. The trend in the thermodynamic stability of the complexes correlates very well with the structural and spectroscopic data obtained by single-crystal X-ray diffraction, FT-IR spectroscopy. and laser-induced luminescence spectroscopy. C1 [Tian, Guoxin; Rao, Linfeng] Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Teat, Simon J.] Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Liu, Guokui] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Rao, LF (reprint author), Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. EM LRao@lbl.gov NR 31 TC 38 Z9 39 U1 5 U2 26 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0947-6539 J9 CHEM-EUR J JI Chem.-Eur. J. PY 2009 VL 15 IS 16 BP 4172 EP 4181 DI 10.1002/chem.200801155 PG 10 WC Chemistry, Multidisciplinary SC Chemistry GA 437TL UT WOS:000265509700026 PM 19229938 ER PT J AU Wang, JS Sheaff, CN Yoon, B Addleman, RS Wai, CM AF Wang, Joanna Shaofen Sheaff, Chrystal N. Yoon, Byunghoon Addleman, R. Shane Wai, Chien M. TI Extraction of Uranium from Aqueous Solutions by Using Ionic Liquid and Supercritical Carbon Dioxide in Conjunction SO CHEMISTRY-A EUROPEAN JOURNAL LA English DT Article DE carbon dioxide; ionic liquids; supercritical fluids; uranium; UV/Vis spectroscopy ID FLUID EXTRACTION; SOLID MATERIALS; CO2; COMPLEXATION; LANTHANIDES; HYDROLYSIS; SOLVENTS; METALS AB Uranyl ions [UO(2)](2+) in aqueous nitric acid can be extracted into supercritical CO(2) (sc-CO(2)) by using an imidazolium-based ionic liquid with tri-n-butyl phosphate (TBP) as a complexing agent. The transfer of uranium from the ionic liquid to the supercritical fluid phase was monitored by UV/Vis spectroscopy using a high-pressure fiber-optic cell. The form of the uranyl complex extracted into the sc-CO(2) phase was identified to be [UO(2)(NO(3))(2)-(TBP)(2)] The extraction results were confirmed by fluorescence spectroscopy and by neutron activation analysis. This technique has potential applications in the field of nuclear waste management for extracting other actinides. C1 [Wang, Joanna Shaofen; Sheaff, Chrystal N.; Yoon, Byunghoon; Wai, Chien M.] Univ Idaho, Dept Chem, Moscow, ID 83844 USA. [Addleman, R. Shane] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Wai, CM (reprint author), Univ Idaho, Dept Chem, Moscow, ID 83844 USA. EM cwai@uidaho.edu FU Battelle [27887] FX This work was partially supported by Battelle (Contract No. 27887). NR 22 TC 45 Z9 48 U1 3 U2 46 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 0947-6539 J9 CHEM-EUR J JI Chem.-Eur. J. PY 2009 VL 15 IS 17 BP 4458 EP 4463 DI 10.1002/chem.200801415 PG 6 WC Chemistry, Multidisciplinary SC Chemistry GA 442XT UT WOS:000265874700028 PM 19283821 ER PT J AU Heldebrant, DJ Yonker, CR Jessop, PG Phan, L AF Heldebrant, David J. Yonker, Clement R. Jessop, Philip G. Phan, Lam TI Reversible Uptake of COS, CS2, and SO2: Ionic Liquids with O-Alkylxanthate, O-Alkylthiocarbonyl, and O-Alkylsulfite Anions SO CHEMISTRY-A EUROPEAN JOURNAL LA English DT Article DE acidity; flue gas; green chemistry; ionic liquids; reversibility ID MAGNETIC-RESONANCE; PIPERYLENE SULFONE; INFRARED SPECTRA; CARBON-DIOXIDE; TEMPERATURE; SOLUBILITY; SOLVENT; SUBSTITUTE; XANTHATES; SULFIDE AB CO2-binding organic liquids (CO(2)BOLs) are mixtures of a base (typically an amidine or guanidine) and an alcohol, and have been shown to reversibly capture and release CO2 with low reaction energies and high gravimetric CO2 capacity. We now report the ability of such liquid blends to chemically bind and release other acid gases such as CS2, COS, and SO2 analogously to CO2. These systems bind with sulfur-containing acid gases to form colored ionic liquids with new O-alkylxanthate, O-alkylthiocarbonyl, and O-alkylsulfite anions. The capture and thermal stripping of each acid gas from these systems and their applicability towards flue gas desulfurization is discussed. C1 [Heldebrant, David J.] Pacific NW Natl Lab, Mat Chem & Surface Res Grp, Richland, WA 99352 USA. [Yonker, Clement R.] Pacific NW Natl Lab, Mol Interact & Transformat Grp, Richland, WA 99352 USA. [Jessop, Philip G.; Phan, Lam] Queens Univ, Dept Chem, Kingston, ON K7L 3N6, Canada. RP Heldebrant, DJ (reprint author), Pacific NW Natl Lab, Mat Chem & Surface Res Grp, Richland, WA 99352 USA. EM david.heldebrant@pnl.gov NR 41 TC 46 Z9 47 U1 2 U2 53 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0947-6539 J9 CHEM-EUR J JI Chem.-Eur. J. PY 2009 VL 15 IS 31 BP 7619 EP 7627 DI 10.1002/chem.200802602 PG 9 WC Chemistry, Multidisciplinary SC Chemistry GA 481XB UT WOS:000268845000015 PM 19551772 ER PT J AU Sun, ZC Bai, F Wu, HM Schmitt, SK Boye, DM Jiang, Z Wang, J Fan, HY AF Sun, Zaicheng Bai, Feng Wu, Huimeng Schmitt, Samantha K. Boye, Daniel M. Jiang, Zhang Wang, Jin Fan, Hongyou TI Cooperative Self-Assembly-Assisted Formation of Monodisperse Optically Active Spherical and Anisotropic Nanoparticles SO CHEMISTRY-A EUROPEAN JOURNAL LA English DT Article DE block copolymers; hydrogen bonds; pi interactions; polymer nanoparticles; self-assembly ID BLOCK-COPOLYMERS; CARBON; NANOCRYSTALS; MICELLES; FILMS AB We report a new method in which spontaneous self-assembly is employed to synthesize monodisperse polymer nanoparticles with controlled size (< 50 nm), shape, tunable functionality, and enhanced solvent and thermal stability. Cooperative noncovalent interactions, such as hydrogen bonding and aromatic it-it stacking, assist self-assembly of amphiphilic macromolecules (polystyrene-block-polyvinylpyridine, PS-PVP) and structure directing agents (SDAs) to form both spherical and anisotropic solid polymer nanoparticles with SDAs residing in the particle core surrounded by the polymers. Through detailed investigations by scanning electron microscopy and transmission electron microscopy (TEM), we have rationalized nanoparticle morphology evolution and dependence on factors such as SDA concentration and PVP size. By keeping the PS chain size constant, the particle morphology progresses from continuous films to spherical particles, and on to cylindrical nanowires or rods with increasing the PVP chain size. ne final nanoparticles are very stable and can be redispersed in common solvents to form homogenous solutions and thin films of ordered nanoparticle arrays through solvent evaporation processes. These nanoparticles exhibit tunable fluorescent colors (or emissions) depending on the choices of the central SDAs. Our method is simple and general without requiring complicated synthetic chemistry, stabilizing surfactants, or annealing procedures (e.g., temperature or solvent annealing), making scalable synthesis feasible. C1 [Sun, Zaicheng; Bai, Feng; Schmitt, Samantha K.; Fan, Hongyou] Univ New Mexico, NSF Ctr Microengineered Mat, Dept Chem & Nucl Engn, Albuquerque, NM 87131 USA. [Wu, Huimeng; Fan, Hongyou] Sandia Natl Labs, Adv Mat Lab, Albuquerque, NM 87106 USA. [Boye, Daniel M.] Davidson Coll, Dept Phys, Davidson, NC 28035 USA. [Jiang, Zhang; Wang, Jin] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Fan, HY (reprint author), Univ New Mexico, NSF Ctr Microengineered Mat, Dept Chem & Nucl Engn, Albuquerque, NM 87131 USA. EM hfan@sandia.gov RI Jiang, Zhang/A-3297-2012; Sun, Zaicheng/B-5397-2012 OI Jiang, Zhang/0000-0003-3503-8909; Sun, Zaicheng/0000-0001-5277-5308 FU U.S. Department of Energy (DOE) Basic Energy Sciences (BES) Program; Sandia National Laboratory's Laboratory Directed Research and Development (LDRD) program; National Science Foundation [DMI-0625997]; CRADA; NSF EPSCOR; NNIN; Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was supported by the U.S. Department of Energy (DOE) Basic Energy Sciences (BES) Program, Sandia National Laboratory's Laboratory Directed Research and Development (LDRD) program, National Science Foundation (DMI-0625997), and CRADA. TEM studies were performed in the Department of Earth and Planetary Sciences at University of New Mexico. We acknowledge the use of the SEM facility supported by the NSF EPSCOR and NNIN grants. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000. NR 32 TC 4 Z9 6 U1 2 U2 37 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 0947-6539 J9 CHEM-EUR J JI Chem.-Eur. J. PY 2009 VL 15 IS 42 BP 11128 EP 11133 DI 10.1002/chem.200901786 PG 6 WC Chemistry, Multidisciplinary SC Chemistry GA 516RL UT WOS:000271560000013 PM 19774571 ER PT J AU Barrios, LA Aguila, D Roubeau, O Gamez, P Ribas-Arino, J Teat, SJ Aromi, G AF Barrios, Leoni A. Aguila, David Roubeau, Olivier Gamez, Patrick Ribas-Arino, Jordi Teat, Simon J. Aromi, Guillem TI Designed Topology and Site-Selective Metal Composition in Tetranuclear [MM '...M ' M] Linear Complexes SO CHEMISTRY-A EUROPEAN JOURNAL LA English DT Article DE heterometallic complexes; ligand design; magnetic properties; quantum chemistry ID SINGLE-MOLECULE MAGNETS; BETA-DIKETONE LIGAND; GAUSSIAN-BASIS SETS; CRYSTAL-STRUCTURE; STRING COMPLEXES; ATOMS LI; COPPER(II); DINUCLEAR; METALLOCYCLES; NICKEL(II) AB The ligand 1,3-bis[3-oxo-3-(2-hydroxyphe nyl)propionyl] benzene (H,L), designed to align transition metals into tetranuclear linear molecules, reacts with W salts (M = Ni, Co, Cu) to yield complexes with the expected [MM...MM] topology. The novel complexes [Co(4)L(2)(py)(6)] (2; py = pyridine) and [Na(py)(2)][Cu(4)L(2)(py)(4)](ClO(4)) (3) have been crystallographically characterised. The metal sites in complexes 2 and 3, together with previously characterised [Ni(4)L(2)(py)(6)] (1), favour different coordination geometries. These have been exploited for the deliberate synthesis of the heterometalic complex [Cu(2)Ni(2)L(2)(py)(6)] (4). Complexes 1, 2, 3 and 4 exhibit antiferro-magnetic interactions between pairs of metals within each cluster, leading to S=0 spin ground states, except for the latter cluster, which features two quasi-independent S=1/2, moieties within the molecule. Complex 4 gathers the structural and physical conditions, thus allowing it to be considered as prototype of a two-qbit quantum gate. C1 [Barrios, Leoni A.; Aguila, David; Aromi, Guillem] Univ Barcelona, Fac Quim, Dept Quim Inorgan, E-08028 Barcelona, Spain. [Roubeau, Olivier] CSIC, Inst Ciencia Mat Aragon, E-50009 Zaragoza, Spain. [Roubeau, Olivier] Univ Zaragoza, E-50009 Zaragoza, Spain. [Gamez, Patrick] Leiden Univ, Gorlaeus Labs, Leiden Inst Chem, NL-2300 RA Leiden, Netherlands. [Ribas-Arino, Jordi] Ruhr Univ Bochum, Lehrstuhl Theoret Chem, D-44780 Bochum, Germany. [Teat, Simon J.] Univ Calif Berkeley, Adv Light Source, Berkeley, CA 94720 USA. RP Aromi, G (reprint author), Univ Barcelona, Fac Quim, Dept Quim Inorgan, Diagonal 647, E-08028 Barcelona, Spain. EM guillem.aromi@qi.ub.cs RI Roubeau, Olivier/A-6839-2010; Ribas, Jordi/G-8076-2011; Gamez, Patrick/B-3610-2012; Aromi, Guillem/I-2483-2015; BARRIOS MORENO, LEONI ALEJANDRA/E-5413-2017 OI Roubeau, Olivier/0000-0003-2095-5843; Ribas, Jordi/0000-0003-4088-6187; Gamez, Patrick/0000-0003-2602-9525; Aromi, Guillem/0000-0002-0997-9484; BARRIOS MORENO, LEONI ALEJANDRA/0000-0001-7075-9950 FU CCLRC Daresbury Laboratory; European Union; Spanish Ministry of Science and Education; Spanish National Research Council (CSIC); Foundation for the Chemical Sciences (CW); Organization for the Scientific Research (NWO); Office of Science. Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231] FX G.A. thanks the Generalitat de Catalunya for the "ICREA Academia" prize, which rewards excellence in research. For financial support, we acknowledge CCLRC Daresbury Laboratory through support by the European Union. G.A., L.B. and D.A. thank the Spanish Ministry of Science and Education, O.R. thanks the Spanish National Research Council (CSIC), PG. thanks the Foundation for the Chemical Sciences (CW) and Organization for the Scientific Research (NWO) and I.R.A. thanks the Generalitat de Catalunya for a "Beatriu de Pinos" postdoctoral fellowship and Prof. Juan J. Novoa for allocation of supercomputer time. The Advanced Light Source (SIT) is supported by the Director, Office of Science. Office of Basic Energy Sciences, of the U.S. Department of Energy under contract no. DE-AC02-05CH11231. NR 54 TC 28 Z9 28 U1 0 U2 11 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0947-6539 J9 CHEM-EUR J JI Chem.-Eur. J. PY 2009 VL 15 IS 42 BP 11235 EP 11243 DI 10.1002/chem.200901534 PG 9 WC Chemistry, Multidisciplinary SC Chemistry GA 516RL UT WOS:000271560000024 PM 19760726 ER PT J AU Xu, Q Chu, YZ Guo, HB Smith, JC Guo, H AF Xu, Qin Chu, Yu-zhuo Guo, Hao-Bo Smith, Jeremy C. Guo, Hong TI Energy Triplets for Writing Epigenetic Marks: Insights from QM/MM Free-Energy Simulations of Protein Lysine Methyltransferases SO CHEMISTRY-A EUROPEAN JOURNAL LA English DT Article DE density functional calculations; enzyme catalysis; free-energy simulations; histone lysine methylation; quantum chemistry ID MOLECULAR-DYNAMICS SIMULATIONS; PRODUCT SPECIFICITY; HISTONE METHYLATION; TRANSITION-STATE; CHROMATIN; H3 C1 [Xu, Qin; Chu, Yu-zhuo; Guo, Hao-Bo; Smith, Jeremy C.; Guo, Hong] Univ Tennessee, Dept Biochem & Cellular & Mol Biol, Knoxville, TN 37996 USA. [Smith, Jeremy C.; Guo, Hong] Oak Ridge Natl Lab, UT ORNL Ctr Mol Biophys, Oak Ridge, TN 37831 USA. RP Guo, H (reprint author), Univ Tennessee, Dept Biochem & Cellular & Mol Biol, Knoxville, TN 37996 USA. EM hguo1@utk.edu RI Guo, Hong/E-6357-2010; Guo, Hao-Bo/B-7486-2009; smith, jeremy/B-7287-2012; Xu, Qin/O-7310-2015 OI Guo, Hao-Bo/0000-0003-1321-1758; smith, jeremy/0000-0002-2978-3227; Xu, Qin/0000-0002-8346-9431 FU National Science Foundation [0817940]; DOE FX We thank Prof. Xiaodong Cheng for useful discussions, This work was supported by the National Science Foundation to H.G. (Grant number: 0817940) and in part by a DOE Laboratory-Directed Research and Development award to J.C.S. NR 23 TC 14 Z9 15 U1 1 U2 16 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 0947-6539 EI 1521-3765 J9 CHEM-EUR J JI Chem.-Eur. J. PY 2009 VL 15 IS 46 BP 12596 EP 12599 DI 10.1002/chem.200902297 PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 529IO UT WOS:000272509500009 PM 19882600 ER PT J AU Lock, N Bremholm, M Christensen, M Almer, J Chen, YS Iversen, BB AF Lock, Nina Bremholm, Martin Christensen, Mogens Almer, Jonathan Chen, Yu-Sheng Iversen, Bo B. TI In Situ High-Energy Synchrotron Radiation Study of Boehmite Formation, Growth, and Phase Transformation to Alumina in Sub- and Supercritical Water SO CHEMISTRY-A EUROPEAN JOURNAL LA English DT Article DE alumina; boehmite; nanoparticles; supercritical fluids; X-ray scattering ID METAL-OXIDE NANOPARTICLES; FLOW REACTION SYSTEM; HYDROTHERMAL SYNTHESIS; MATERIALS SCIENCE; FLUIDS; SIZE; PARTICLES; MORPHOLOGY; CHEMISTRY; CATALYSTS AB Boehmite (AlOOH) nanoparticles have been synthesized in subcritical (300 bar, 350 degrees C) and supercritical (300 bar, 400 degrees C) water. The formation and growth of AlOOH nanoparticles were studied in situ by small- and wide-angle X-ray scattering (SAXS and WAXS) using 80 keV synchrotron radiation. The SAXS/WAXS data were measured simultaneously with a time resolution greater than 10 s and revealed the initial nucleation of amorphous particles takes place within 10s with subsequent crystallization after 30s. No diffraction signals were observed from Al(OH)(3) within the time resolution of the experiment, which shows that the dehydration step of the reaction is fast and the hydrolysis step rate-determining. The sizes of the crystalline particles were determined as a function of time. The overall size evolution patterns are similar in sub- and supercritical water, but the growth is faster and the final particle size larger under supercritical conditions. After approximately 5 min, the rate of particle growth decreases in both sub- and supercritical water. Heating of the boehmite nanoparticle suspension allowed an in situ X-ray investigation of the phase transformation of boehmite to aluminium oxide. Under the wet conditions used in this work, the transition starts at 530 C and gives a two-phase product of hydrated and non-hydrated aluminium oxide. C1 [Lock, Nina; Bremholm, Martin; Christensen, Mogens; Iversen, Bo B.] Univ Aarhus, Ctr Energy Mat, Dept Chem, DK-8000 Aarhus C, Denmark. [Lock, Nina; Bremholm, Martin; Christensen, Mogens; Iversen, Bo B.] Univ Aarhus, INANO, DK-8000 Aarhus, Denmark. [Almer, Jonathan] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Chen, Yu-Sheng] Univ Chicago, ChemMatCARS Beam Line, Adv Photon Source, Argonne, IL 60439 USA. RP Iversen, BB (reprint author), Univ Aarhus, Ctr Energy Mat, Dept Chem, DK-8000 Aarhus C, Denmark. EM bo@chem.au.dk FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; Danscatt and the Danish Strategic Research Council FX Use of the Advanced Photon Source was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Contract No. DE-AC02-06CH11357. We thank Danscatt and the Danish Strategic Research Council for financial support. Jacob Becker-Christensen, University of Aarhus, Rudi Nielsen, SCF-Technologies A/S, and Jacques Chevallier, University of Aarhus, are thanked for their technical support. NR 49 TC 16 Z9 16 U1 1 U2 34 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 0947-6539 J9 CHEM-EUR J JI Chem.-Eur. J. PY 2009 VL 15 IS 48 BP 13381 EP 13390 DI 10.1002/chem.200901269 PG 10 WC Chemistry, Multidisciplinary SC Chemistry GA 547AF UT WOS:000273856400016 PM 19882596 ER PT J AU Richter, I Warren, MR Minari, J Elfeky, SA Chen, WB Mahon, ME Raithby, PR James, TD Sakurai, K Teat, SJ Bull, SD Fossey, JS AF Richter, Isabella Warren, Mark R. Minari, Jusaku Elfeky, Souad A. Chen, Wenbo Mahon, Mary E. Raithby, Paul R. James, Tony D. Sakurai, Kazuo Teat, Simon J. Bull, Steven D. Fossey, John S. TI Solid-State Structures and Solution Analyses of a Phenylpropylpyridine N-Oxide and an N-Methyl Phenylpropylpyridine SO Chemistry-An Asian Journal LA English DT Article DE cations; fluorescence; hydrogen bonds; alkylpyridines; pi-stacking ID LEONARD LINKER COMPOUNDS; PI-STACKING INTERACTIONS; AROMATIC INTERACTIONS; CRYSTALLOGRAPHIC EVIDENCE; INTRAMOLECULAR CATION; ARENE INTERACTIONS; CONFORMATION; RECOGNITION; PROTEINS; KINETICS AB The crystal structures of phenylpropylpyridine-N-oxide and N-methyl-phenylpropylpyridinium iodide are compared, revealing that hydrogen bonding with the solvent molecule plays an important role in the N-oxide compound, whilst electrostatic interactions are predominant in controlling the solid-state orientation of the N-methylated compound. Fluorescence spectroscopy and NOESY indicate that in contrast to the previously reported pyridinium iodide, the N-oxide is not subject to intramolecular pi-stacking, as judged by excimer emission and a lack of corresponding cross peaks, respectively. C1 [Richter, Isabella; Warren, Mark R.; Elfeky, Souad A.; Chen, Wenbo; Mahon, Mary E.; Raithby, Paul R.; James, Tony D.; Bull, Steven D.; Fossey, John S.] Univ Bath, Dept Chem, Bath BA2 7AY, Avon, England. [Teat, Simon J.] Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Raithby, PR (reprint author), Univ Bath, Dept Chem, Bath BA2 7AY, Avon, England. EM p.r.raithby@bath.ac.uk; j.s.fossey@bham.ac.uk RI James, Tony/B-5125-2009; chen, wenbo/I-7263-2013; Raithby, Paul/N-7997-2014; Fossey, John/C-3172-2009; OI James, Tony/0000-0002-4095-2191; Raithby, Paul/0000-0002-2944-0662; Fossey, John/0000-0002-2626-5117; ELFEKY, SOUAD/0000-0002-9985-211X FU U.S. Department of Energy under [E-AC02-05CH 11231]; DAAD (IR scholarship); Royal Society; Egyptian Government (SAE fellowship); EPSRC; Leverhulme Trust [F/00351/P] FX The Advanced Light Source is acknowledged for granting beamtime which is supported by the Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract No. DE-AC02-05CH 1123 1. Dr. J. P. Lowe and Dr. A. T Lubben are thanked for assistance with NMR spectroscopy and mass spectrometry, respectively. We are grateful to the DAAD (IR scholarship), the Royal Society (JM KS, SD13 Joint Project and JSF Research Grant 2007/R2), the Egyptian Government (SAE fellowship), the EPSRC (PRR Senior Research Fellowship, PA and MRW studentships), and the Leverhulme Trust (JSF and WC F/00351/P). NR 32 TC 15 Z9 15 U1 2 U2 5 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1861-4728 J9 CHEM-ASIAN J JI Chem.-Asian J. PY 2009 VL 4 IS 1 BP 194 EP 198 DI 10.1002/asia.200800255 PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA 396HI UT WOS:000262582400020 PM 18956476 ER PT J AU Wang, SG Wu, CW Chen, KM Lin, VSY AF Wang, Shy-Guey Wu, Chia-Wen Chen, Kwunmin Lin, Victor S. -Y. TI Fine-Tuning Mesochannel Orientation of Organically Functionalized Mesoporous Silica Nanoparticles SO CHEMISTRY-AN ASIAN JOURNAL LA English DT Article DE co-condensation; mesoporous materials; morphology control; nanoparticles; silica ID RESPONSIVE CONTROLLED-RELEASE; MORPHOLOGY CONTROL; SPHERES; MECHANISM; DELIVERY; SYSTEM; MCM-41 C1 [Wang, Shy-Guey; Wu, Chia-Wen; Lin, Victor S. -Y.] Iowa State Univ, US DOE, Dept Chem, Ames Lab, Ames, IA 50011 USA. [Wang, Shy-Guey; Chen, Kwunmin] Natl Taiwan Normal Univ, Dept Chem, Taipei 11677, Taiwan. [Wu, Chia-Wen] Natl Taiwan Univ, Dept Chem Engn, Taipei 106, Taiwan. RP Lin, VSY (reprint author), Iowa State Univ, US DOE, Dept Chem, Ames Lab, Ames, IA 50011 USA. EM vsylin@iastate.edu RI Wu, Kevin C.-W. /F-8281-2012; OI Wu, Kevin C.-W./0000-0003-0590-1396 FU Office of Basic Energy Sciences; U.S. Department of Energy [DE-AC02-07CH11358]; National Science Council of Taiwan [97-2113M-002020-MY2] FX This study was supported by the Office of Basic Energy Sciences. U.S. Department of Energy under Contract No. DE-AC02-07CH11358. C.-W Wu thanks the National Science Council of Taiwan (NSC 97-2113M-002020-MY2) for financial support. NR 19 TC 19 Z9 23 U1 1 U2 13 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1861-4728 J9 CHEM-ASIAN J JI Chem.-Asian J. PY 2009 VL 4 IS 5 BP 658 EP 661 DI 10.1002/asia.200900015 PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 450EB UT WOS:000266382700004 PM 19291719 ER PT J AU Pol, VG Thiyagarajan, P Moreno, JMC Popa, M Kessler, VG Gohil, S Seisenbaeva, GA AF Pol, Vilas G. Thiyagarajan, P. Moreno, Jose M. Calderon Popa, Monica Kessler, Vadim G. Gohil, Suresh Seisenbaeva, Gulaim A. TI Methodical Thermolysis of [Ba2Ti2(thd)(4)(OnPr)(8)(nPrOH)(2)] under Autogenous Pressure Followed by Combustion for the Synthesis of Dielectric Tetragonal BaTiO3 Nanopowder SO CHEMISTRY-AN ASIAN JOURNAL LA English DT Article DE dielectric constant; electron microscopy; synthesis; titanium; nanostructures ID BARIUM-TITANATE POWDERS; CRYSTAL-STRUCTURE; FACILE SYNTHESIS; ELECTRIC-FIELD; HYDROTHERMAL SYNTHESIS; THERMAL-DECOMPOSITION; ELEVATED-TEMPERATURE; POLYMERIC PRECURSOR; CARBON NANOTUBES; PHASE-TRANSITION AB The tetragonal BaTiO3 nanopowder is synthesized in a solvent-less, efficient process by the thermolysis of a single [Ba2Ti2(thd)(4)(OnPr)(8)(nPrOH)(2)] precursor in a closed reactor at 700 degrees C under autogenous pressure, followed by combustion. This paper compiles the synthesis of the [Ba2Ti2(thd)(4)(OnPr)(8)(nPrOH)(2)] precursor, its analysis by mass spectrometry, and implementation for the fabrication of dielectric tetragonal BaTiO3 nanopowder by controlled efficient thermal decomposition. The as-prepared, intermediate, and final forms of the obtained nanomaterials are systematically analysed by XRD, Raman, and EDS measurements to gain structural and compositional information. Employing HR-SEM, TEM, and HR-TEM techniques, the morphological changes during the structural evolution of all the phases are pursued. The mechanistic elucidation for the fabrication of BaTiO3 nanopowder is developed on the basis of TGA and DTA data obtained for the initial [Ba2Ti2(thd)(4)(OnPr)(8)(nPrOH)(2)] reactant as well as the as prepared BaCO3 With amorphous Ti phase. C1 [Pol, Vilas G.; Thiyagarajan, P.] Argonne Natl Lab, IPNS, Argonne, IL 60439 USA. [Moreno, Jose M. Calderon; Popa, Monica] Acad Romana, Inst Phys Chem Ilie Murgulescu, Bucharest 060021, Romania. [Kessler, Vadim G.; Gohil, Suresh; Seisenbaeva, Gulaim A.] SLU, Dept Chem, S-75007 Uppsala, Sweden. RP Pol, VG (reprint author), Argonne Natl Lab, IPNS, 9700 S Cass Ave, Argonne, IL 60439 USA. EM vilaspol@gmail.com RI Calderon Moreno, Jose/B-2867-2008; Popa, Monica/C-4370-2011; OI Calderon Moreno, Jose/0000-0001-8376-9082; Popa, Monica/0000-0002-5661-5931; Kessler, Vadim/0000-0001-7570-2814; Seisenbaeva, Gulaim/0000-0003-0072-6082 FU Swedish Research Council FX The authors would like to express their gratitude to the Swedish Research Council for the grant "Molecular Precursors and Molecular Models of Nanoporous Materials". NR 46 TC 1 Z9 1 U1 1 U2 9 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1861-4728 J9 CHEM-ASIAN J JI Chem.-Asian J. PY 2009 VL 4 IS 7 BP 1084 EP 1091 DI 10.1002/asia.200900077 PG 8 WC Chemistry, Multidisciplinary SC Chemistry GA 469JH UT WOS:000267893100010 PM 19479929 ER PT J AU Qafoku, NP Zhong, LR Thompson, CJ Liu, CX Arey, BW Mitroshkov, A Riley, RG AF Qafoku, Nikolla P. Zhong, Lirong Thompson, Christopher J. Liu, Chongxuan Arey, Bruce W. Mitroshkov, Alex Riley, Robert G. TI Physical control on CCl4 and CHCl3 desorption from artificially contaminated and aged sediments with supercritical carbon dioxide SO CHEMOSPHERE LA English DT Article DE Carbon tetrachloride; Chloroform; Adsorption/desorption; Supercritical carbon dioxide; Sediment; Contaminants ID HETEROGENEOUS SORPTION PROCESSES; MASS-TRANSFER; SUBSURFACE SYSTEMS; FLOW INTERRUPTION; ORGANIC-COMPOUNDS; SOIL; TRANSPORT; BIOAVAILABILITY; TETRACHLORIDE; DISSOLUTION AB The long-term interactions of carbon tetrachloride (CCl4) and chloroform (CHCl3) with sediments that are low in organic matter (OM) are not well studied. In this study, CCl4 and CHCl3 were mixed with supercritical carbon dioxide (CO2) and loaded onto columns packed with two sediments with low OM and different textures, to establish contamination and achieve expedited artificial aging. The columns were subsequently leached with a Simulated groundwater under hydraulically saturated conditions. Scanning electron microscopy was used to inspect the morphology of sediment single particles, determine the degree of particle association in aggregates and qualitatively estimate porosity and the possible diffusional pathways that might affect the overall contaminant desorption rates. Results demonstrated that most of contaminant inventories were rapidly released in the first pore volume of effluent, although a small portion of contaminants' total mass exhibited time-dependent desorption. The calculated K-d values Of CCl4 or CHCl3 partition were negligibly small. Both contaminants had similar transport behavior which was simulated well with a distributed (multiple)-rate (DR) statistical model. The model accounted for the apparent contaminant mass transfer through diffusional pathways of different lengths, towards the advective pores. The distribution of contaminant mass between equilibrium and kinetic fractions, the distribution of the individual rate constants, and the average rate constants calculated with the parameters of the gamma-distribution function (beta and eta) of the DR model, were sediment (texture) dependent. This indicated that contaminant desorption during the late stage of leaching was driven by concentration gradients (i.e., diffusion) within sediment matrix porosity. (C) 2008 Elsevier Ltd. All rights reserved. C1 [Qafoku, Nikolla P.; Zhong, Lirong; Thompson, Christopher J.; Liu, Chongxuan; Arey, Bruce W.; Mitroshkov, Alex; Riley, Robert G.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Qafoku, NP (reprint author), Pacific NW Natl Lab, POB 999,MSIN K8-96, Richland, WA 99352 USA. EM nik.qafoku@pnl.gov RI Liu, Chongxuan/C-5580-2009; OI Qafoku, Nikolla P./0000-0002-3258-5379 FU US Department of Energy (DOE) [DE-AC06-76RLO 1830] FX These studies were supported by the US Department of Energy (DOE) through the Environmental Management Sciences Program (EMSP). Pacific Northwest National Laboratory is operated for the DOE by Battelle Memorial Institute under Contract DE-AC06-76RLO 1830. The research described in this report was performed in part in the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the US DOE Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory in Richland. WA, USA. NR 31 TC 4 Z9 4 U1 1 U2 8 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0045-6535 J9 CHEMOSPHERE JI Chemosphere PD JAN PY 2009 VL 74 IS 4 BP 494 EP 500 DI 10.1016/j.chemosphere.2008.10.033 PG 7 WC Environmental Sciences SC Environmental Sciences & Ecology GA 400BU UT WOS:000262843800003 PM 19042008 ER PT J AU Ye, XH Wang, YR Hopkins, RC Adams, MWW Evans, BR Mielenz, JR Zhang, YHP AF Ye, Xinhao Wang, Yiran Hopkins, Robert C. Adams, Michael W. W. Evans, Barbara R. Mielenz, Jonathan R. Zhang, Y. -H. Percival TI Spontaneous High-Yield Production of Hydrogen from Cellulosic Materials and Water Catalyzed by Enzyme Cocktails SO CHEMSUSCHEM LA English DT Article DE biocatalysis; cellulose; enzyme catalysis; hydrogen ID CLOSTRIDIUM-THERMOCELLUM; AFFINITY ADSORPTION; RENEWABLE HYDROGEN; BIOFUEL CELLS; HYDROLYSIS; ETHANOL; BIOMASS; PURIFICATION; BIOHYDROGEN; CLEAVAGE C1 [Ye, Xinhao; Wang, Yiran; Zhang, Y. -H. Percival] Virginia Polytech Inst & State Univ, Dept Biol Syst Engn, Blacksburg, VA 24061 USA. [Hopkins, Robert C.; Adams, Michael W. W.] Univ Georgia, Dept Biochem & Mol Biol, Athens, GA 30602 USA. [Evans, Barbara R.; Mielenz, Jonathan R.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Ye, XH (reprint author), Virginia Polytech Inst & State Univ, Dept Biol Syst Engn, Blacksburg, VA 24061 USA. EM ypzhang@vt.edu RI Wang, Yi-Ran/C-4643-2013 OI Wang, Yi-Ran/0000-0002-4171-868X FU Air Force Office of Scientific Research [FA9550-08-1-0145]; DuPont Young Professor Award; DOE BESC; ICTAS; US DOE [DE-FG02-05ER15770]; US Department of Energy Office of Energy Efficiency and Renewable Energy [CEEB06]; [DE-AC05-00OR22725] FX This work was supported by the Air Force Office of Scientific Research (FA9550-08-1-0145), DuPont Young Professor Award, DOE BESC, and ICTAS (all to Y.P.Z..). R.C.H. and M.W.W.A. were supported by a grant from the US DOE (DE-FG02-05ER15770). Previous research at Oak Ridge National Laboratory was funded by the US Department of Energy Office of Energy Efficiency and Renewable Energy (FWP CEEB06). Oak Ridge National Laboratory is managed by UT-Battelle, LLC, for the US Department of Energy under contract DE-AC05-00OR22725. NR 32 TC 80 Z9 81 U1 4 U2 34 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1864-5631 J9 CHEMSUSCHEM JI ChemSusChem PY 2009 VL 2 IS 2 BP 149 EP 152 DI 10.1002/cssc.200900017 PG 4 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY SC Chemistry; Science & Technology - Other Topics GA 418DA UT WOS:000264126200004 PM 19185036 ER PT J AU Maiti, A AF Maiti, Amitesh TI Theoretical Screening of Ionic Liquid Solvents for Carbon Capture SO CHEMSUSCHEM LA English DT Article DE carbon storage; chemical potentials; density functional calculations; ionic liquids; solvent effects ID PRESSURE PHASE-BEHAVIOR; SOLUBILITY; CO2; DIOXIDE; CATALYSIS; COSMO C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Maiti, A (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. EM amaiti@llnl.gov FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07 A27344] FX The author would like to thank Prof J. F. Brennecke for useful discussions. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07 A27344. NR 24 TC 40 Z9 44 U1 3 U2 36 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1864-5631 J9 CHEMSUSCHEM JI ChemSusChem PY 2009 VL 2 IS 7 BP 628 EP 631 DI 10.1002/cssc.200900086 PG 4 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY SC Chemistry; Science & Technology - Other Topics GA 477VR UT WOS:000268547500006 PM 19551803 ER PT B AU Chin, G Kuchar, OA Wolf, KE AF Chin, George, Jr. Kuchar, Olga A. Wolf, Katherine E. BE Greenberg, S Hudson, SE Hinkley, K RingelMorris, M Olsen, DR TI Exploring the Analytical Processes of Intelligence Analysts SO CHI2009: PROCEEDINGS OF THE 27TH ANNUAL CHI CONFERENCE ON HUMAN FACTORS IN COMPUTING SYSTEMS, VOLS 1-4 LA English DT Proceedings Paper CT 27th Annual CHI Conference on Human Factors in Computing Systems CY APR 04-09, 2009 CL Boston, MA SP ACM SIGCHI, Autodesk, Google, Microsoft, NSF, eLearn Magazine, interations, Yahoo DE Intelligence analysis; homeland security; national security; participatory design; work practices; work-oriented design; artifact analysis; participant observation; collaboration AB We present an observational case study in which we investigate and analyze the analytical processes of intelligence analysts. Participating analysts in the study carry out two scenarios where they organize and triage information, conduct intelligence analysis, report results, and collaborate with one another. Through a combination of scenario-based analysis, artifact analysis, role-playing, interviews, and participant observations, we explore the space and boundaries in which intelligence analysts work and operate. We also assess the implications of our findings on the use and application of key information technologies. C1 [Chin, George, Jr.; Kuchar, Olga A.; Wolf, Katherine E.] Pacific NW Natl Lab, Richland, WA 99352 USA. EM George.Chin@pnl.gov; Olga.Kuchar@pnl.gov; Katherine.Wolf@pnl.gov NR 27 TC 12 Z9 12 U1 1 U2 1 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 1515 BROADWAY, NEW YORK, NY 10036-9998 USA BN 978-1-60558-246-7 PY 2009 BP 11 EP 20 PG 10 WC Computer Science, Artificial Intelligence; Computer Science, Information Systems; Computer Science, Theory & Methods; Information Science & Library Science; Management; Social Issues SC Computer Science; Information Science & Library Science; Business & Economics; Social Issues GA BJG76 UT WOS:000265679300002 ER PT J AU Frei, H AF Frei, Heinz TI Polynuclear Photocatalysts in Nanoporous Silica for Artificial Photosynthesis SO CHIMIA LA English DT Article DE Artificial photosynthesis; Carbon dioxide reduction; Metal-to-metal charge-transfer; Nanoporous silica; Water oxidation ID OXYGEN-EVOLVING CATALYST; MESOPOROUS SILICA; VISIBLE-LIGHT; WATER OXIDATION; CARBON-DIOXIDE; HYDROGEN-PRODUCTION; ELECTRON-TRANSFER; OXIDE CLUSTERS; CR CENTERS; EVOLUTION AB In this article, recent progress towards robust photocatalysts for the visible light-driven reduction of CO(2) by H(2)O is presented. All-inorganic polynuclear photocatalysts consisting of an oxo-bridged binuclear charge-transfer chromophore (metal-to-metal charge-transfer) coupled to a multi-electron transfer catalyst anchored in a nanoporous silica scaffold have been developed. Mild synthetic methods afford assembly, on silica nanopore surfaces, of heterobinuclear units with donor and acceptor metal centers selected for optimum solar coverage and photon to chemical energy conversion efficiency. A photocatalyst featuring a TiOCr(III) group coupled to an IrO(2) nanocluster on MCM-41 silica support is shown to function as an efficient visible light water oxidation unit. Nanostructured Co(3)O(4), clusters in mesoporous silica SBA-15 constitute the first example of a nanometer-sized multi-electron catalyst made of an earth-abundant metal oxide that evolves oxygen from water efficiently. For carbon dioxide reduction, a binuclear unit consisting of a Zr acceptor and a Cu(I) donor (ZrOCu(I)) acts as light absorber as well as redox site, splitting CO(2) to CO and H(2)O upon excitation of the charge-transfer transition. Structural and mechanistic insights of the photocatalytic units based on static and time-resolved optical, FT-infrared, FT-Raman, EPR, X-ray absorption spectroscopy and transmission electron microscopy are critical for improving designs. The photocatalytic units presented here form the basis for developing robust and efficient artificial photosynthetic systems for the conversion of carbon dioxide and water to a liquid fuel. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Frei, H (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Phys Biosci Div, Berkeley, CA 94720 USA. EM HMFrei@lbl.gov FU U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by the Director, Office of Science, Office of Basic Energy Sciences, Division of Chemical, Geological and Biosciences of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. I am indebted to current and recent postdoctoral fellows whose work is discussed in this review and whose names are given in the references. I thank Dr. Vittal Yachandra and his group for access to the EPR laboratory and for help with EXAFS experiments and analysis. NR 46 TC 27 Z9 27 U1 1 U2 23 PU SWISS CHEMICAL SOC PI BERN PA SCHWARZTORSTRASSE 9, CH-3007 BERN, SWITZERLAND SN 0009-4293 J9 CHIMIA JI Chimia PY 2009 VL 63 IS 11 BP 721 EP 730 DI 10.2533/chimia.2009.721 PG 10 WC Chemistry, Multidisciplinary SC Chemistry GA 528JC UT WOS:000272439200004 ER PT J AU Popova, EY Krauss, SW Short, SA Lee, G Villalobos, J Etzell, J Koury, MJ Ney, PA Chasis, JA Grigoryev, SA AF Popova, Evgenya Y. Krauss, Sharon Wald Short, Sarah A. Lee, Gloria Villalobos, Jonathan Etzell, Joan Koury, Mark J. Ney, Paul A. Chasis, Joel Anne Grigoryev, Sergei A. TI Chromatin condensation in terminally differentiating mouse erythroblasts does not involve special architectural proteins but depends on histone deacetylation SO CHROMOSOME RESEARCH LA English DT Article DE erythroblast; enucleation; chromatin condensation; heterochromatin; histone; deacetylation ID GLOBIN CHROMOSOMAL DOMAIN; NUCLEOSOME REPEAT LENGTH; LINKER HISTONE; CONSTITUTIVE HETEROCHROMATIN; FACULTATIVE HETEROCHROMATIN; CELL-DIFFERENTIATION; LYSINE METHYLATION; GENE ACTIVITY; IN-VIVO; HP1 AB Terminal erythroid differentiation in vertebrates is characterized by progressive heterochromatin formation and chromatin condensation and, in mammals, culminates in nuclear extrusion. To date, although mechanisms regulating avian erythroid chromatin condensation have been identified, little is known regarding this process during mammalian erythropoiesis. To elucidate the molecular basis for mammalian erythroblast chromatin condensation, we used Friend virus-infected murine spleen erythroblasts that undergo terminal differentiation in vitro. Chromatin isolated from early and late-stage erythroblasts had similar levels of linker and core histones, only a slight difference in nucleosome repeats, and no significant accumulation of known developmentally regulated architectural chromatin proteins. However, histone H3(K9) dimethylation markedly increased while histone H4(K12) acetylation dramatically decreased and became segregated from the histone methylation as chromatin condensed. One histone deacetylase, HDAC5, was significantly upregulated during the terminal stages of Friend virus-infected erythroblast differentiation. Treatment with histone deacetylase inhibitor, trichostatin A, blocked both chromatin condensation and nuclear extrusion. Based on our data, we propose a model for a unique mechanism in which extensive histone deacetylation at pericentromeric heterochromatin mediates heterochromatin condensation in vertebrate erythroblasts that would otherwise be mediated by developmentally-regulated architectural proteins in nucleated blood cells. C1 [Popova, Evgenya Y.; Grigoryev, Sergei A.] Penn State Univ, Coll Med, Hershey, PA 17033 USA. [Krauss, Sharon Wald; Short, Sarah A.; Lee, Gloria; Villalobos, Jonathan; Chasis, Joel Anne] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. [Etzell, Joan] Univ Calif San Francisco, Lab Med, San Francisco, CA 94143 USA. [Koury, Mark J.] TN Valley Healthcare Syst, Nashville, TN 37232 USA. [Koury, Mark J.] Vanderbilt Univ, Nashville, TN 37232 USA. [Ney, Paul A.] St Jude Childrens Res Hosp, Memphis, TN USA. RP Grigoryev, SA (reprint author), Penn State Univ, Coll Med, Hershey, PA 17033 USA. EM sag17@psu.edu FU National Institutes of Health [DK32094, DK56267, DK59079, CA084214]; National Science Foundation [MCB-0615536]; US Department of Energy [DE-AC03-76SF00098]; Department of Veteran Affairs FX We are grateful to Drs. P. Singh (Borstel, Germany), D. Tremethick (Canberra, Australia), and N. Chaudhary (Woodlands, TX, USA) for their kind gifts of antibodies against HP1, H2A.Z, and lamins A/C and B. Supported in part by National Institutes of Health Grants DK32094, DK56267, DK59079, and CA084214; National Science Foundation grant MCB-0615536, and by the Director, Office of Health and Environment Research Division, US Department of Energy, under Contract DE-AC03-76SF00098; and by Merit Review Award from the Department of Veteran Affairs. NR 72 TC 27 Z9 27 U1 0 U2 3 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0967-3849 EI 1573-6849 J9 CHROMOSOME RES JI Chromosome Res. PD JAN PY 2009 VL 17 IS 1 BP 47 EP 64 DI 10.1007/s10577-008-9005-y PG 18 WC Biochemistry & Molecular Biology; Genetics & Heredity SC Biochemistry & Molecular Biology; Genetics & Heredity GA 418UN UT WOS:000264175000005 PM 19172406 ER PT S AU Veress, AL Raymond, GM Gullberg, GT Bassingthwaighte, JB AF Veress, A. L. Raymond, G. M. Gullberg, G. T. Bassingthwaighte, J. B. BE Murray, A TI Multi-Scale Modeling of Hypertension SO CINC: 2009 36TH ANNUAL COMPUTERS IN CARDIOLOGY CONFERENCE SE Computers in Cardiology Series LA English DT Proceedings Paper CT 36th Annual Computers in Cardiology Conference (CinC 2009) CY SEP 13-16, 2009 CL Pk City, UT SP EMB, IEEE, Medtron, CareFus, Biosense Webster, Mortara Instrument, Vitamin Water, Coca-Cola, IBM, GE Healthcare, Forest Pharmaceut Inc, St Jude Med, IOP Publishing, Zoll, Philips Healthcare, SCI - Univ Utah ID LEFT-VENTRICLE; MECHANICS AB The focus of this work is the coupling of-a 1-D lumped parameter model representing the circulatoty system to a 3-D finite element based left ventricle (LV) model in order to study the effects of mild hypertension on the cardiovascular system. A Finite Element LV model under normotensive loading (116/80 mmHg) was developed as well as a mild hypertension (165/90 mmHg) model. In both cases, coupled analysis was utilized so that at one diastolic time point and four systolic time points the values for the LV volumes and pressures were determined from the steady-state JSim solution. The normotensive model had an average first principal stress of 39.1 KPa while the hypertensive case showed an increased value of 51.8 KPa representing a 32.3% increase. A relatively mild increase in the afterload resulted in a pronounced increase in workload to maintain the same systemic flow. C1 Univ Washington, Dept Mech Engn, Box 352600, Seattle, WA 98195 USA. [Gullberg, G. T.] E O Lawrence Berkeley Natl Lab, Berkeley, CA USA. [Veress, A. L.; Raymond, G. M.; Bassingthwaighte, J. B.] Univ Washington, Seattle, WA 98195 USA. RP Veress, AL (reprint author), Univ Washington, Dept Mech Engn, Box 352600, Seattle, WA 98195 USA. EM averess@u.washington.edu FU National Institutes of Health [R01 EB00121, R01 EB07219, 1R01HL09103] FX This work was supported by the National Institutes of Health under Grants R01 EB00121 R01 EB07219 and1R01HL09103 NR 9 TC 1 Z9 1 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 0276-6574 BN 978-1-4244-7281-9 J9 COMPUT CARDIOL PY 2009 BP 385 EP + PG 2 WC Cardiac & Cardiovascular Systems; Engineering, Biomedical SC Cardiovascular System & Cardiology; Engineering GA BPM81 UT WOS:000279344300097 ER PT J AU Finney, L Vogt, S Fukai, T Glesne, D AF Finney, Lydia Vogt, Stefan Fukai, Tohru Glesne, David TI COPPER AND ANGIOGENESIS: UNRAVELLING A RELATIONSHIP KEY TO CANCER PROGRESSION SO CLINICAL AND EXPERIMENTAL PHARMACOLOGY AND PHYSIOLOGY LA English DT Review DE angiogenesis; copper; endothelial cells; metallobiology; metalloproteomics; microprobe; synchrotron radiation; tubulogenesis; X-ray fluorescence; X-ray imaging ID RAY-FLUORESCENCE MICROSCOPY; ANTIANGIOGENIC STRATEGY; ALZHEIMERS-DISEASE; CARCINOMA-CELLS; TRACE-ELEMENTS; GROWTH-FACTOR; TUMOR-GROWTH; METAL-IONS; TETRATHIOMOLYBDATE; MICROPROBE AB Angiogenesis, the formation of new capillaries from existing vasculature, is a critical process in normal physiology as well as several physiopathologies. A desire to curb the supportive role angiogenesis plays in the development and metastasis of cancers has driven exploration into anti-angiogenic strategies as cancer therapeutics. Key to this, angiogenesis additionally displays an exquisite sensitivity to bioavailable copper. Depletion of copper has been shown to inhibit angiogenesis in a wide variety of cancer cell and xenograft systems. Several clinical trials using copper chelation as either an adjuvant or primary therapy have been conducted. Yet, the biological basis for the sensitivity of angiogenesis remains unclear. Numerous molecules important to angiogenesis regulation have been shown to be either directly or indirectly influenced by copper, yet a clear probative answer to the connection remains elusive. Measurements of copper in biological systems have historically relied on techniques that, although demonstrably powerful, provide little or no information as to the spatial distribution of metals in a cellular context. Therefore, several new approaches have been developed to image copper in a biological context. One such approach relies on synchrotron-derived X-rays from third-generation synchrotrons and the technique of high resolution X-ray fluorescence microprobe (XFM) analysis. Recent applications of XFM approaches to the role of copper in regulating angiogenesis have provided unique insight into the connection between copper and cellular behaviour. Using XFM, copper has been shown to be highly spatially regulated, as it is translocated from perinuclear areas of the cell towards the tips of extending filopodia and across the cell membrane into the extracellular space during angiogenic processes. Such findings may explain the heightened sensitivity of this cellular process to this transition metal and set a new paradigm for the kinds of regulatory roles that the spatial dynamics of cellular transition metals may play. C1 [Finney, Lydia; Glesne, David] Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. [Finney, Lydia; Vogt, Stefan] Argonne Natl Lab, Xray Sci Div, Argonne, IL USA. [Fukai, Tohru] Univ Illinois, Dept Med, Cardiovasc Res Ctr, Chicago, IL USA. [Fukai, Tohru] Univ Illinois, Dept Pharmacol, Cardiovasc Res Ctr, Chicago, IL USA. RP Glesne, D (reprint author), Argonne Natl Lab, Biosci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM dglesne@anl.gov RI Vogt, Stefan/B-9547-2009; Vogt, Stefan/J-7937-2013 OI Vogt, Stefan/0000-0002-8034-5513; Vogt, Stefan/0000-0002-8034-5513 FU NHLBI NIH HHS [R01 HL070187] NR 69 TC 90 Z9 91 U1 5 U2 35 PU WILEY-BLACKWELL PUBLISHING, INC PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0305-1870 J9 CLIN EXP PHARMACOL P JI Clin. Exp. Pharmacol. Physiol. PD JAN PY 2009 VL 36 IS 1 BP 88 EP 94 DI 10.1111/j.1440-1681.2008.04969.x PG 7 WC Pharmacology & Pharmacy; Physiology SC Pharmacology & Pharmacy; Physiology GA 397BJ UT WOS:000262636600014 PM 18505439 ER PT S AU Baumann, D Jackson, MG Adshead, P Amblard, A Ashoorioon, A Bartolo, N Bean, R Beltran, M de Bernardis, F Bird, S Chen, XG Chung, DJH Colombo, L Cooray, A Creminelli, P Dodelson, S Dunkley, J Dvorkin, C Easther, R Finelli, F Flauger, R Hertzberg, MP Jones-Smith, K Kachru, S Kadota, K Khoury, J Kinney, WH Komatsu, E Krauss, LM Lesgourgues, J Liddle, A Liguori, M Lim, E Linde, A Matarrese, S Mathur, H McAllister, L Melchiorri, A Nicolis, A Pagano, L Peiris, HV Peloso, M Pogosian, L Pierpaoli, E Riotto, A Seljak, U Senatore, L Shandera, S Silverstein, E Smith, T Vaudrevange, P Verde, L Wandelt, B Wands, D Watson, S Wyman, M Yadav, A Valkenburg, W Zaldarriaga, M AF Baumann, Daniel Jackson, Mark G. Adshead, Peter Amblard, Alexandre Ashoorioon, Amjad Bartolo, Nicola Bean, Rachel Beltran, Maria de Bernardis, Francesco Bird, Simeon Chen, Xingang Chung, Daniel J. H. Colombo, Loris Cooray, Asantha Creminelli, Paolo Dodelson, Scott Dunkley, Joanna Dvorkin, Cora Easther, Richard Finelli, Fabio Flauger, Raphael Hertzberg, Mark P. Jones-Smith, Katherine Kachru, Shamit Kadota, Kenji Khoury, Justin Kinney, William H. Komatsu, Eiichiro Krauss, Lawrence M. Lesgourgues, Julien Liddle, Andrew Liguori, Michele Lim, Eugene Linde, Andrei Matarrese, Sabino Mathur, Harsh McAllister, Liam Melchiorri, Alessandro Nicolis, Alberto Pagano, Luca Peiris, Hiranya V. Peloso, Marco Pogosian, Levon Pierpaoli, Elena Riotto, Antonio Seljak, Uros Senatore, Leonardo Shandera, Sarah Silverstein, Eva Smith, Tristan Vaudrevange, Pascal Verde, Licia Wandelt, Ben Wands, David Watson, Scott Wyman, Mark Yadav, Amit Valkenburg, Wessel Zaldarriaga, Matias BE Dodelson, S Baumann, D Cooray, A Dunkley, J Fraisse, A Jackson, MG Kogut, A Krauss, L Smith, K Zaldarriaga, M TI Probing Inflation with CMB Polarization SO CMB POLARIZATION WORKSHOP: THEORY AND FOREGROUNDS: CMBPOL MISSION CONCEPT STUDY SE AIP Conference Proceedings LA English DT Proceedings Paper CT CMB Polarization Workshop CY JUN 23-26, 2008 CL Batavia, IL SP NASA ID MICROWAVE-ANISOTROPY-PROBE; PRIMORDIAL BLACK-HOLES; ISOTHERMAL DENSITY PERTURBATIONS; GALACTIC DUST EMISSION; GRACEFUL EXIT PROBLEM; LARGE-SCALE STRUCTURE; STRING GAS COSMOLOGY; D-TERM INFLATION; WMAP OBSERVATIONS; BACKGROUND POLARIZATION AB We summarize the utility of precise cosmic microwave background (CMB) polarization measurements as probes of the physics of inflation. We focus on the prospects for using CMB measurements to differentiate various inflationary mechanisms. In particular, a detection of primordial B-mode polarization would demonstrate that inflation occurred at a very high energy scale, and that the inflaton traversed a super-Planckian distance in field space. We explain how such a detection or constraint would illuminate aspects of physics at the Planck scale. Moreover, CMB measurements can constrain the scale-dependence and non-Gaussianity of the primordial fluctuations and limit the possibility of a significant isocurvature contribution. Each such limit provides crucial information on the underlying inflationary dynamics. Finally, we quantify these considerations by presenting forecasts for the sensitivities of a future satellite experiment to the inflationary parameters. C1 [Baumann, Daniel; Senatore, Leonardo; Zaldarriaga, Matias] Harvard Univ, Dept Phys, Cambridge, MA 02138 USA. [Baumann, Daniel; Senatore, Leonardo; Yadav, Amit; Zaldarriaga, Matias] Harvard Univ, Cent Astrophys, Cambridge, MA 02138 USA. [Baumann, Daniel; Dunkley, Joanna] Princeton Univ, Dept Phys, Princeton, NJ 08540 USA. [Jackson, Mark G.; Dodelson, Scott] Particle Astrophys Cent, Batavia, IL 60510 USA. [Jackson, Mark G.] Theory Grp, Fermilab, Batavia, IL 60510 USA. [Jackson, Mark G.] Lorentz Inst Theoret Phys, Leiden, Netherlands. [Adshead, Peter; Easther, Richard] Yale Univ, Dept Phys, New Haven, CT 06511 USA. [Amblard, Alexandre; Cooray, Asantha] Univ Calif Irvine, Cent Cosmol, Irvine, CA 92697 USA. [Ashoorioon, Amjad; Kadota, Kenji; Watson, Scott] Univ Michigan, Cent Theret Phys, Ann Arbor, MI 48109 USA. [Bartolo, Nicola; Matarrese, Sabino] Univ Padua, Dipartimento Fis, I-35131 Padua, Italy. [Bean, Rachel] Cornell Univ, Dept Astron, Ithaca, NY 14853 USA. [Beltran, Maria; Dvorkin, Cora] Univ Chicago, Kavli Inst Cosmol Phys, Chicago, IL 60637 USA. [de Bernardis, Francesco; Melchiorri, Alessandro; Pagano, Luca] Univ Roma La Sapienza, Dept Fis, Piazzale Aldo Moro 5, I-00185 Rome, Italy. [Bird, Simeon; Peiris, Hiranya V.] Univ Cambridge, Inst Astron, Cambridge CB3 0HA, England. [Chen, Xingang; Hertzberg, Mark P.] MIT, Ctr Theoret Phys, Cambridge, MA 02139 USA. [Chung, Daniel J. H.] Univ Wisconsin, Dept Phys, Madison, WI 53706 USA. [Colombo, Loris; Pierpaoli, Elena] Univ Southren Calif, Dept Astron, Los Angeles, CA 90089 USA. [Creminelli, Paolo] Abdus Salam International Centre Theoret Phys, I-34014 Trieste, Italy. [Dunkley, Joanna; Verde, Licia] Dept Astrophys Sci, Princeton, NJ 08540 USA. [Finelli, Fabio] IASF Bologna, INAF, I-40129 Bologna, Italy. [Finelli, Fabio] Osservatorio Astron Bologna, INAF, I-40127 Bologna, Italy. [Finelli, Fabio] INFN, I-40126 Bologna, Italy. [Flauger, Raphael] Univ Texas Austin, Dept Phys, Theory Grp, Austin, TX 78712 USA. [Jones-Smith, Katherine; Mathur, Harsh] Case Western Reserve Univ, CERCA, Dept Phys, Cleveland, OH 44106 USA. [Kachru, Shamit; Linde, Andrei; Silverstein, Eva] Stanford Univ, Dept Phys, SLAC, Stanford, CA 94305 USA. [Kadota, Kenji] Univ Minnesota, Theoret Phys Inst, Minneapolis, MN 55455 USA. [Khoury, Justin; Wyman, Mark] Perimeter Inst Theoret Phys, Waterloo N2L 2Y5, ON, Canada. [Kinney, William H.] Univ Buffalo, Dept Phys, Buffalo, NY 14260 USA. [Komatsu, Eiichiro] Univ Texas Austin, Dept Astron, RLM 15308, Austin, TX 78712 USA. [Krauss, Lawrence M.] Arizona State Univ, Sch Earth & Space Explorat, Tempe, AZ 85287 USA. [Lesgourgues, Julien; Riotto, Antonio] CERN, Theory Div, CH-1211 Geneva, Switzerland. [Lesgourgues, Julien; Valkenburg, Wessel] Ecole Polytech Fed Lausanne, LPPC, CH-1015 Lausanne, Switzerland. [Lesgourgues, Julien] Univ Savoie, CNRS, LAPTH, F-74941 Annecy Le Vieux, France. [Liddle, Andrew] Univ Sussex, Astron Cent, Brighton BN1 9QH, E Sussex, England. [Liguori, Michele] Univ Cambridge, DAMTP, Cambridge CB3 0WA, England. [Lim, Eugene; Nicolis, Alberto; Shandera, Sarah] Columbia Univ, Dept Phys, ISCAP, New York, NY 10027 USA. [McAllister, Liam] Cornell Univ, Dept Phys, Ithaca, NY 14853 USA. [Peloso, Marco] Univ Minnesota, Sch Phys & Astron, Minneapolis, MN 55455 USA. [Pogosian, Levon] Simon Fraser Univ, Dept Phys, Burnaby, BC V5A 1S6, Canada. [Seljak, Uros] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Seljak, Uros] Univ Zurich, Inst Theret Phys, Zurich, Switzerland. [Smith, Tristan] California Inst Technol, Pasadena, CA 91125 USA. [Smith, Tristan] Univ Calif Berkeley, Berkeley Cent Cosmol Phys, Berkeley, CA 94720 USA. [Vaudrevange, Pascal] Univ Toronto, CITA, Toronto M5S 3H8, ON, Canada. [Verde, Licia] Inst Space Sci CSIC IEEC, ICREA, Bellaterra, Spain. [Wandelt, Ben; Yadav, Amit] Univ Illinois, Dept Phys, Urbana, IL 61801 USA. [Wands, David] Univ Portsmouth, Inst Gosmol & Gruvitat, Portsmouth PO1 2EG, Hants, England. RP Baumann, D (reprint author), Harvard Univ, Dept Phys, Cambridge, MA 02138 USA. EM dbaumann@physics.harvard.edu; markj@lorentz.leidenuniv.nl; peter.adshead@yale.edu; amblard@uci.edu; amjad@umich.edu; bartolo@pd.infn.it; rbean@astro.cornell.edu; beltran@uchicago.edu; xgchen@mit.edu; danielchung@wisc.edu; acooray@uci.edu; creminel@ictp.it; dodelson@fnal.gov; jdunkley@princeton.edu; cdvorkin@uchicago.edu; richard.easther@yale.edu; finelli@iasfbo.inaf.it; flauger@physics.utexas.edu; mphertz@mit.edu; kas59@case.edu; skachru@stanford.edu; kadota@physics.umn.edu; jkhoury@perimeterinstitute.ca; whkinney@buffalo.edu; komatsu@astro.as.utexas.edu; krauss@cwru.edu; ml453@damtp.cam.ac.uk; eugene.a.lim@gmail.com; harsh.mathur@case.edu; mcallister@cornell.edu; nicolis@phys.columbia.edu; hiranya@ast.cam.ac.uk; levon@sfu.ca; pierpaol@usc.edu; senatore@physics.harvard.edu; shandera@gmail.com; evas@stanford.edu; tlsmith@caltech.edu; pascal.vaudrevange@case.edu; lverde@astro.princeton.edu; david.wands@port.ac.uk; watsongs@umich.edu; mwyman@perimeterinstitute.ca; ayadav@uiuc.edu; wessel.valkenburg@lapp.in2p3.fr; mzaldarriaga@cfa.harvard.edu RI amblard, alexandre/L-7694-2014; OI amblard, alexandre/0000-0002-2212-5395; Wands, David/0000-0001-9509-8386; WANDELT, Benjamin/0000-0002-5854-8269; Finelli, Fabio/0000-0002-6694-3269; Easther, Richard/0000-0002-7233-665X; Bird, Simeon/0000-0001-5803-5490; Verde, Licia/0000-0003-2601-8770; Pierpaoli, Elena/0000-0002-7957-8993 NR 357 TC 243 Z9 243 U1 2 U2 9 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0678-0 J9 AIP CONF PROC PY 2009 VL 1141 BP 10 EP + PG 22 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA BLS44 UT WOS:000270939500002 ER PT S AU Zaldarriaga, M Colombo, L Komatsu, E Lidz, A Mortonson, M Oh, SP Pierpaoli, E Verde, L Zahn, O AF Zaldarriaga, Matias Colombo, Loris Komatsu, Eiichiro Lidz, Adam Mortonson, Michael Oh, S. Peng Pierpaoli, Elena Verde, Licia Zahn, Oliver BE Dodelson, S Baumann, D Cooray, A Dunkley, J Fraisse, A Jackson, MG Kogut, A Krauss, L Smith, K Zaldarriaga, M TI Reionization Science with the Cosmic Microwave Background SO CMB POLARIZATION WORKSHOP: THEORY AND FOREGROUNDS: CMBPOL MISSION CONCEPT STUDY SE AIP Conference Proceedings LA English DT Proceedings Paper CT CMB Polarization Workshop CY JUN 23-26, 2008 CL Batavia, IL SP NASA ID LY-ALPHA EMITTERS; HIGH-REDSHIFT UNIVERSE; POPULATION-III STARS; GUNN-PETERSON TROUGH; INTERGALACTIC MEDIUM; DARK-AGES; HYDROGEN REIONIZATION; PATCHY REIONIZATION; EMITTING GALAXIES; STELLAR SOURCES AB We summarize existing constraints on the epoch of reionization and discuss the observational probes that are sensitive to the process. We focus on the role large scale polarization can play. Polarization probes the integrated optical depth across the entire epoch of reionization. Future missions such as Planck and CMBPol will greatly enhance our knowledge of the reionization history, allowing us to measure the time evolution of the ionization fraction. As large scale polarization probes high redshift activity, it can best constrain models where the Universe was fully or partially ionized at early times. In fact, large scale polarization could be our only probe of the highest redshifts. C1 [Zaldarriaga, Matias; Lidz, Adam] Harvard Univ, Ctr Astrophys, Cambridge, MA 02138 USA. [Zaldarriaga, Matias] Harvard Univ, Dept Phys, Cambridge, MA 02138 USA. [Colombo, Loris; Pierpaoli, Elena] Univ Southern Calif, Dept Phys & Astron, Los Angeles, CA 90089 USA. [Komatsu, Eiichiro] Univ Texas Austin, Dept Astron, Austin, TX 78712 USA. [Mortonson, Michael] Univ Chicago, Dept Phys, Chicago, IL 60637 USA. [Oh, S. Peng] Univ Calif Santa Barbara, Dept Phys, Santa Barbara, CA 93106 USA. [Verde, Licia] CSIC IEEC, ICREA & Inst Space Sci, Bellaterra, Spain. [Verde, Licia] Dept Astrophys Sci, Princeton, NJ 08540 USA. [Zahn, Oliver] Univ Calif Berkeley, Berkeley Ctr Cosmol Phys, Berkeley, CA 94720 USA. [Zahn, Oliver] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Zaldarriaga, M (reprint author), Harvard Univ, Ctr Astrophys, Cambridge, MA 02138 USA. EM mzaldarriaga@cfa.harvard.edu; komatsu@astro.as.utexas.edu; alidz@cfa.harvard.edu; mjmort@uchicago.edu; peng@physics.ucsb.edu; pierpaol@usc.edu; lverde@astro.princeton.edu; zahn@berkeley.edu RI Komatsu, Eiichiro/A-4361-2011; OI Verde, Licia/0000-0003-2601-8770; Pierpaoli, Elena/0000-0002-7957-8993 NR 100 TC 0 Z9 0 U1 1 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0678-0 J9 AIP CONF PROC PY 2009 VL 1141 BP 179 EP + PG 6 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA BLS44 UT WOS:000270939500004 ER PT S AU Claycomb, W Shin, DW AF Claycomb, William Shin, Dongwan BE Bertino, E Joshi, JBD TI Protecting Sensitive Information in Directory Services Using Virtual Directories SO COLLABORATIVE COMPUTING: NETWORKING, APPLICATIONS AND WORKSHARING SE Lecture Notes of the Institute for Computer Sciences Social Informatics and Telecommunications Engineering LA English DT Proceedings Paper CT 4th International Conference of Collaborative Computing: Networking, Applications and Worksharing CY NOV 13-16, 2008 CL Orlando, FL SP Create Net, ACM SIGCHI, Int Commun Sci & Technol Assoc DE Access controls; Cryptographic controls; Data encryption; Public key cryptosystems; Privacy; Information resource management; Data dictionary/directory AB Directory services are commonly used to store information related to individuals, and often act as a source for security services, such as authentication and access control, in collaborative applications within/across organizations. Hence, there is an urgent need to protect the sensitive information they contain. Existing solutions offer minimal protection against insider attacks, a growing threat to both government and industry data services. In this paper we present a solution for data protection that leverages virtual directories and data encryption to provide a user-centric approach to data protection, delegation, and collaboration. A security architecture is presented, along with the discussion of the benefits and vulnerabilities of our approach. We also discuss a proof-of-concept implementation and performance testing results. C1 [Claycomb, William] Sandia Natl Labs, POB 5800,MS 0823, Albuquerque, NM 87185 USA. [Shin, Dongwan] New Mexico Inst Min & Technol, Dept Comp Sci, Socorro, NM 87801 USA. RP Claycomb, W (reprint author), Sandia Natl Labs, POB 5800,MS 0823, Albuquerque, NM 87185 USA. EM wrclayc@sandia.gov; doshin@nmt.edu NR 12 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES SN 1867-8211 BN 978-3-642-03353-7 J9 L N INST COMP SCI SO PY 2009 VL 10 BP 244 EP + PG 3 WC Computer Science, Hardware & Architecture; Computer Science, Theory & Methods SC Computer Science GA BBM83 UT WOS:000307417900019 ER PT S AU Hollingsworth, JA Vela, J Chen, YF Htoon, H Klimov, VI Casson, AR AF Hollingsworth, Jennifer A. Vela, Javier Chen, Yongfen Htoon, Han Klimov, Victor I. Casson, Amy R. BE Osinski, M Jovin, TM TI 'Giant' multishell CdSe nanocrystal quantum dots with suppressed blinking: Novel fluorescent probes for real-time detection of single-molecule events SO COLLOIDAL QUANTUM DOTS FOR BIOMEDICAL APPLICATIONS IV SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Colloidal Quantum Dots for Biomedical Applications IV CY JAN 24-26, 2009 CL San Jose, CA SP SPIE, Ocean Opt Inc DE nanocrystal quantum dot; suppressed blinking; non-blinking; core-shell ID CORE/SHELL NANOCRYSTALS; INTERMITTENCY AB We reported for the first time that key nanocrystal quantum dot (NQD) optical properties-quantum yield, photobleaching and blinking-can be rendered independent of NQD surface chemistry and environment by growth of a very thick, defect-free inorganic shell (Chen, et al. J. Am. Chem. Soc. 2008). Here, we show the precise shell-thickness dependence of these effects. We demonstrate that 'giant-shell' NQDs can be largely non-blinking for observation times as long as 54 minutes and that on-time fractions are independent of experimental time-resolution from 1-200 ms. These effects are primarily demonstrated on (CdSe) CdS (core) shell NQDs, but we also show that alloyed shells comprising CdxZn1-xS and terminated with a non-cytotoxic ZnS layer exhibit similar properties. The mechanism for suppressed blinking and dramatically enhanced stability is attributed to both effective isolation of the NQD core excitonic wavefunction from the NQD surface, as well as a quasi-Type II electronic structure. The unusual electronic structure provides for effective spatial separation of the electron and hole into the shell and core, respectively, and, thereby, for reduced efficiencies in non-radiative Auger recombination. C1 [Hollingsworth, Jennifer A.; Vela, Javier; Chen, Yongfen; Htoon, Han; Klimov, Victor I.; Casson, Amy R.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Hollingsworth, JA (reprint author), Los Alamos Natl Lab, SM 30,Bikini Atoll Rd, Los Alamos, NM 87545 USA. EM jenn@lanl.gov OI Klimov, Victor/0000-0003-1158-3179; Htoon, Han/0000-0003-3696-2896 FU NIGMS NIH HHS [R01 GM084702-01] NR 19 TC 5 Z9 5 U1 3 U2 13 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-7435-3 J9 PROC SPIE PY 2009 VL 7189 AR 718904 DI 10.1117/12.809678 PG 7 WC Crystallography; Engineering, Biomedical; Nanoscience & Nanotechnology; Optics SC Crystallography; Engineering; Science & Technology - Other Topics; Optics GA BSS52 UT WOS:000285710600003 PM 21804930 ER PT S AU Subramani, K Madduri, K AF Subramani, K. Madduri, Kamesh BE Du, DZ Hu, XD Pardalos, PM TI Two-Level Heaps: A New Priority Queue Structure with Applications to the Single Source Shortest Path Problem SO COMBINATORIAL OPTIMIZATION AND APPLICATIONS, PROCEEDINGS SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 3rd International Conference on Combinatorial Optimization and Applications (COCOA 2009) CY JUN 10-12, 2009 CL Huangshan, PEOPLES R CHINA SP Chinese Acad Sci, Acad Math & Syst Sci, Operat Res Soc China, Univ Texas ID ALGORITHMS AB The Single Source Shortest Paths problem with positive edge weights (SSSPP) is one of the more widely studied problems in Operations Research and Theoretical Computer Science [1,2] on account of its wide applicability to practical situations. This problem was first solved in polynomial time by Dijkstra [3], who showed that by extracting vertices with the smallest distance from the source and relaxing its outgoing edges, the shortest path to each vertex is obtained. Variations of this general theme have led to a number of algorithms, which work well in practice [4,5,6]. At the heart of a Dijkstra implementation is the technique used to implement a priority queue. It is well known that using Dijkstra's approach requires Omega(n log n) steps on a graph having n vertices, since it essentially sorts vertices based on their distances from the source. Accordingly, the fastest implementation of Dijkstra's algorithm on a graph with n vertices and m edges should take Omega(m + n . log n) time and consequently the Dijkstra procedure for SSSPP using Fibonacci Heaps is optimal, in the comparison-based model. In this paper, we introduce a new data structure to implement priority queues called Two-Level Heap (TLH) and a new variant of Dijkstra's algorithm called Phased Dijkstra. We contrast the performance of Dijkstra's algorithm (both the simple and the phased variants) using a number of data structures to implement the priority queue and empirically establish that Two-Level heaps are far superior to Fibonacci heaps on every graph family considered. C1 [Subramani, K.] West Virginia Univ, LDCSEE, 749 Engn Sci Bldg, Morgantown, WV 26506 USA. [Madduri, Kamesh] Lawrence Berkeley Lab, Computat Res Div, Berkeley, CA USA. RP Subramani, K (reprint author), West Virginia Univ, LDCSEE, 749 Engn Sci Bldg, Morgantown, WV 26506 USA. EM ksmani@csee.wvu.edu; KMadduri@lbl.gov FU Air-Force Office of Scientific Research [FA9550-06-1-0050]; National Science Foundation [CCF-0827397]; DOE Office of Advanced Scientific Computing Research [DE-AC02-05CH11231] FX This research was supported in part by a research grant from the Air-Force Office of Scientific Research under contract FA9550-06-1-0050, by the National Science Foundation through Award CCF-0827397, and by the DOE Office of Advanced Scientific Computing Research under contract number DE-AC02-05CH11231. NR 11 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-642-02025-4 J9 LECT NOTES COMPUT SC PY 2009 VL 5573 BP 186 EP + PG 2 WC Computer Science, Theory & Methods SC Computer Science GA BKC39 UT WOS:000267752200017 ER PT J AU Kessler, DA Short, M AF Kessler, D. A. Short, M. TI Dynamics and quenching of non-premixed edge-flames in oscillatory counterflows SO COMBUSTION AND FLAME LA English DT Article DE Edge-flames; Unsteady counterflow; Quenching; Extinction; Cellular instabilities ID DIFFUSION FLAMES; MIXING LAYERS; TRIPLE-FLAME; STRAIN RATES; UNSTEADY; EXTINCTION; PROPAGATION; LAMINAR; COMBUSTION; BEHAVIOR AB The dynamics of non-premixed edge-flames, including the generation of cellular Structures, in an unsteady, symmetric counterflow are examined for positive rates of strain. A one-step reaction is assumed, nu(gamma)F + nu(X)O -> nu(p)P, in which the oxidizer Lewis number is 1. For a variety of Damkohler numbers, we examine the edge-flame evolution for two values of the fuel Lewis Dumber Le(gamma), 0.3 and 1, and two Values of the initial Mixture fraction gamma, 0.36 and 1, representing fuel lean and stoichiometric Supply conditions. For Le(gamma) = 0.3 and gamma = 0.36, unsteady forcing can convert non-cellular edge-flames into ones containing various characteristics of near- or sub-limit cellular Structures, including drifting, splitting and stationary flame strings. The transition regimes between the different edge-flame structures are examined as a function of the amplitude and frequency of the strain rate variations in the unsteady counterflow and also as a function of the instantaneous and equivalent strain rate functions. For Le(gamma) = 0.3 and gamma = 1, while no cellular edge-flames can be generated for steady counterflows, we show that cellular structures can be observed in the presence of unsteady forcing. For Le(gamma) = 1 and gamma = 1. it is shown that unsteady forcing can significantly modify the mean propagation speeds of both ignition and failure waves. Finally, the quenching boundaries of two-dimensional edge-flames induced by the unsteady counterflow are examined for Le(gamma) = 0.3, gamma = 0.36 and Le(gamma) = 1, gamma = 1. Published by Elsevier Inc. on behalf of The Combustion Institute. C1 [Kessler, D. A.] USN, Res Lab, Computat Phys & Fluid Dynam Lab, Washington, DC 20375 USA. [Short, M.] Los Alamos Natl Lab, Detonat & Shock Phys Grp, Los Alamos, NM 87545 USA. RP Kessler, DA (reprint author), USN, Res Lab, Computat Phys & Fluid Dynam Lab, 4555 Overlook Ave SW, Washington, DC 20375 USA. EM dakessle@lcp.nrl.navy.mil; short1@lanl.gov FU Air Force Office of Scientific Research FX This work was performed while D.A.K. was a member of the Department of Theoretical and Applied Mechanics at the University of Illinois. The authors gratefully acknowledge the Air Force Office of Scientific Research for support for this work. NR 41 TC 0 Z9 0 U1 1 U2 4 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0010-2180 J9 COMBUST FLAME JI Combust. Flame PD JAN PY 2009 VL 156 IS 1 BP 73 EP 89 DI 10.1016/j.combustflame.2008.08.013 PG 17 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA 394OH UT WOS:000262455500010 ER PT J AU Yoo, CS Chen, JH Frank, JH AF Yoo, Chun Sang Chen, Jacqueline H. Frank, Jonathan H. TI A numerical study of transient ignition and flame characteristics of diluted hydrogen versus heated air in counterflow SO COMBUSTION AND FLAME LA English DT Article DE Ignition; Edge flame; Nonpremixed counterflow; Hydrogen; DNS ID CHARACTERISTIC BOUNDARY-CONDITIONS; LARGE ACTIVATION-ENERGIES; EDGE-FLAMES; DIFFUSION FLAMES; PREMIXED HYDROGEN/AIR; PICOSECOND EXCITATION; NONPREMIXED HYDROGEN; ATOMIC OXYGEN; SIMULATIONS; EXTINCTION AB Combined experimental and numerical studies of the transient response of ignition to strained flows require a well-characterized ignition trigger. Laser deposition of a small radical pool provides a reliable method for initiating ignition Of Mixtures that are near the ignition limit. Two-dimensional direct numerical simulations are used to quantify the sensitivity of ignition kernel formation and subsequent edge-flame propagation to the oxidizer temperature and the initial width and amplitude of O-atom deposition used to trigger ignition in an axisymmetric counterflow of heated air versus ambient hydrogen/nitrogen. The ignition delay and super-equilibrium OH concentration in the nascent ignition kernel are highly sensitive to variations in these initial conditions. The ignition delay decreases as the amplitude of the initial O-atom deposition increases. The spatial distribution and the magnitude of the OH overshoot are governed by multi-dimensional effects. The degree of OH overshoot near the burner centerline increases as the diameter of the initial O-atom deposition region decreases. This result is attributed to preferential diffusion of hydrogen in the highly curved leading portion of the edge flame that is established following thermal runaway. The edge-flame speed and OH overshoot at the leading edge of the edge flame are relatively insensitive to variations in the initial conditions of the ignition. The steady edge-flame speed is approximately twice the corresponding laminar flame speed. The rate at which the edge flame approaches its steady state is insensitive to the initial conditions and depends solely on the diffusion time scale at the edge flame. The edge flame is curved toward the heated oxidizer stream as a result of differences in the chemical kinetics between the leading edge and the trailing diffusion flame. The structure of the highly diluted diffusion flame considered in this study corresponds to Linan's 'premixed flame regime' in which only the oxidizer leaks through the reaction zone such that the flame is located at fuel lean rather than stoichiometric mixture fraction conditions. (c) Published by Elsevier Inc. on behalf of The Combustion Institute. C1 [Yoo, Chun Sang; Chen, Jacqueline H.; Frank, Jonathan H.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. RP Yoo, CS (reprint author), Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. EM csyoo@sandia.gov RI Yoo, Chun Sang/E-5900-2010 OI Yoo, Chun Sang/0000-0003-1094-4016 NR 52 TC 14 Z9 14 U1 2 U2 19 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0010-2180 J9 COMBUST FLAME JI Combust. Flame PD JAN PY 2009 VL 156 IS 1 BP 140 EP 151 DI 10.1016/j.combustflame.2008.07.012 PG 12 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA 394OH UT WOS:000262455500016 ER PT J AU Westbrook, CK Pitz, WJ Herbinet, O Curran, HJ Silke, EJ AF Westbrook, Charles K. Pitz, William J. Herbinet, Olivier Curran, Henry J. Silke, Emma J. TI A comprehensive detailed chemical kinetic reaction mechanism for combustion of n-alkane hydrocarbons from n-octane to n-hexadecane SO COMBUSTION AND FLAME LA English DT Article DE Kinetic modeling; Hydrocarbons; Ignition ID GAS-PHASE OXIDATION; EXTRAPOLATE RATE COEFFICIENTS; TRANSITION-STATE THEORY; HIGH-PRESSURE OXIDATION; HIGH-TEMPERATURE; SHOCK-TUBE; THERMAL-DECOMPOSITION; AUTOMATIC-GENERATION; METHANOL OXIDATION; HEPTANE OXIDATION AB Detailed chemical kinetic reaction mechanisms have been developed to describe the pyrolysis and oxidation of mile n-alkanes larger than n-heptane, including n-octane (n-C(8)H(18)), n-nonane (n-C(9)H(20)), n-decane (n-C(10)H(22)), n-undecane (n-C(11)H(24)), n-dodecane (n-C(12)H(26)), n-tridecane (n-C(13)H(29)), n-tetradecane (n-C(14)H(30)), n-pentadecane (n-C(15)H(32)), and n-hexadecane (n-C(16)H(34)). These mechanisms include both high temperature and low temperature reaction pathways. The mechanisms are based on previous mechanisms for the primary reference fuels n-heptane and iso-octane, using the reaction classes first developed for n-heptane. Individual reaction class rules are as simple as possible in order to focus oil the parallelism between all of the n-alkane fuels included in the mechanisms. These mechanisms are validated through extensive comparisons between Computed and experimental data from a wide variety of different sources. In addition, numerical experiments are carried Out to examine features of n-alkane combustion in which the detailed mechanisms can be used to compare reactivities of different n-alkane fuels. The mechanisms for these n-alkanes are presented is a single detailed mechanism, which can be edited to produce efficient mechanisms for any of the n-alkanes included, and the entire mechanism, With supporting thermochemical and transport data, together with an explanatory glossary explaining notations and Structural details, is available for download from our web page. (c) 2008 The Combustion Institute. Published by Elsevier Inc. All rights reserved. C1 [Westbrook, Charles K.; Pitz, William J.; Herbinet, Olivier; Curran, Henry J.; Silke, Emma J.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Curran, Henry J.] Natl Univ Ireland Univ Coll Galway, Galway, Ireland. RP Westbrook, CK (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM westbrookck@earthlink.com RI herbinet, olivier/H-2571-2013; OI herbinet, olivier/0000-0002-2155-098X; Curran, Henry/0000-0002-5124-8562 FU Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; U.S. Department of Energy; Office of Freedom CAR and Vehicle Technologies FX The authors thank Prof. F. Battin-Leclerc for many valuable discussions and Prof. C.J. Sung for experimental RCM results prior to publication. This work was supported by the U.S. Department of Energy, Office of Freedom CAR and Vehicle Technologies, and the authors thank program managers Kevin Stork and Gurpreet Singh for their support of this work. This work was performed under the auspices of the U.S. Department of Energy by the Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 89 TC 319 Z9 330 U1 16 U2 152 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0010-2180 J9 COMBUST FLAME JI Combust. Flame PD JAN PY 2009 VL 156 IS 1 BP 181 EP 199 DI 10.1016/j.combustflame.2008.07.014 PG 19 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA 394OH UT WOS:000262455500019 ER PT J AU Suo-Anttila, J Gritzo, L AF Suo-Anttila, Jill Gritzo, Louis TI The Effects of Wind on Fire Environments Containing Large Cylinders SO COMBUSTION SCIENCE AND TECHNOLOGY LA English DT Article DE Heat flux; Pool fire; Temperature; Thermocouple; Wind AB An experimental investigation of the fire phenomenology associated with the presence of a large (3.66m diameter), fuselage-sized cylindrical calorimeter engulfed in a large (18.9m diameter) JP-8 pool fire subjected to various winds was performed. These measurements and analyses are of particular interest since few studies to date provide measured heat flux distributions under wind conditions for a case where the fire and object are of comparable size. A comparison of the fire environments resulting from the presence of the cylinder combined with the influence of different wind conditions is presented. The location of the continuous flame zone and the magnitude and distribution of the heat fluxes on the engulfed cylinder changed dramatically with the variation in wind speed. The high wind speed (10.9m/s) conditions resulted in a twofold increase in the incident heat flux (up to 300kW/m2 on the leeward side) to the surface of the object relative to heat fluxes typical of large hydrocarbon fires without engulfed objects. These results emphasize the need to consider the interaction of wind and large objects when estimating the incident heat fluxes on an engulfed object. C1 [Suo-Anttila, Jill] Sandia Natl Labs, Fire & Aerosol Sci, Albuquerque, NM 87185 USA. [Gritzo, Louis] Div Res, FM Global, Norwood, MA USA. RP Suo-Anttila, J (reprint author), Sandia Natl Labs, Fire & Aerosol Sci, POB 5800, Albuquerque, NM 87185 USA. EM jmsuoan@sandia.gov FU United States Department of Energy [DE-AC04-94AL85000]; Defense Threat Reduction Agency (DTRA) FX Sandia National Laboratories is a multi-program laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under contract DE-AC04-94AL85000. This study was sponsored by the Defense Threat Reduction Agency (DTRA). The authors would like to acknowledge the contributions of the following DTRA personnel; Gerald Baird, Major Joseph Crews, Major Jeff Blank, Major John Dorian, and Lt. Commander Mike McLean. Walt Gill and Carlos Lopez are also acknowledged for their review of this document. The authors would also like to acknowledge the contributions Sheldon Tieszen and Vern Nicolette. NR 16 TC 0 Z9 0 U1 0 U2 6 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 0010-2202 J9 COMBUST SCI TECHNOL JI Combust. Sci. Technol. PY 2009 VL 181 IS 1 BP 68 EP 77 AR PII 907248256 DI 10.1080/00102200802286107 PG 10 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical SC Thermodynamics; Energy & Fuels; Engineering GA 389PR UT WOS:000262107500004 ER PT J AU Weiland, NT Strakey, PA AF Weiland, Nathan T. Strakey, Peter A. TI Stability Characteristics of Turbulent Hydrogen Dilute Diffusion Flames SO COMBUSTION SCIENCE AND TECHNOLOGY LA English DT Article DE Blowoff; Dilute fuels; Hydrogen; Jet flame; Lifted flames; Liftoff; Stability; Turbulent combustion ID JET FLAMES; BLOWOUT LIMITS; FLOW STRUCTURE; LIFTED FLAMES; HEAT RELEASE; EDGE FLAME; CINEMA-PIV; LIFTOFF; AIR; ENTRAINMENT AB Diffusion flame combustion of high-hydrogen fuels in land-based gas turbine combustors may include dilution of the fuel with inert gases and high velocity fuel injection to reduce NOx emissions. Stability regimes of such combustors are investigated in this study by examining turbulent dilute diffusion flames of hydrogen/nitrogen mixtures, issuing into a quiescent environment from a thin-lipped tube. This study has revealed two distinctly different types of lifted flames: lifted, laminar-base flames, for which liftoff heights vary from 1 to 3 jet diameters above the jet exit and are controlled by differential diffusion, and lifted, turbulent-base flames that stabilize much further downstream and are dominated by turbulent processes. In addition, stability limits governing the detachment or reattachment of the flame to the lip of the burner are examined, as well as the limits governing transitions between the two types of lifted flames and transition from these lifted flames to blowout. C1 [Weiland, Nathan T.] Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. [Weiland, Nathan T.] W Virginia Univ, Dept Mech & Aerosp Engn, Morgantown, WV 26506 USA. [Strakey, Peter A.] Natl Energy Technol Lab, Morgantown, WV USA. RP Weiland, NT (reprint author), Natl Energy Technol Lab, POB 10940,Mail Stop 84-300A, Pittsburgh, PA 15236 USA. EM nathan.weiland@netl.doe.gov OI Weiland, Nathan/0000-0001-9382-6909 NR 59 TC 3 Z9 4 U1 3 U2 13 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 0010-2202 J9 COMBUST SCI TECHNOL JI Combust. Sci. Technol. PY 2009 VL 181 IS 5 BP 756 EP 781 AR PII 910825799 DI 10.1080/00102200902857781 PG 26 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical SC Thermodynamics; Energy & Fuels; Engineering GA 439NQ UT WOS:000265634200004 ER PT J AU Yang, SY Ryu, SK Lee, BK Chung, SH AF Yang, S. Y. Ryu, S. K. Lee, B. K. Chung, S. H. TI Extinction of interacting nonpremixed flames and existence of stationary retreating edges in twin-jet counterflow SO COMBUSTION THEORY AND MODELLING LA English DT Article DE nonpremixed flame; interaction; extinction; retreating edge; Karlovitz number ID DIFFUSION FLAMES; PREMIXED FLAMES; MIXING LAYERS; PROPAGATION; VELOCITY; SCALAR; BURNER; RATES AB A two-dimensional 'twin-jet counterflow' burner, in which two opposing streams from two double-slit nozzles form a counterflow, has been utilised to investigate the effect of the interaction of nonpremixed flames on extinction behavior. Results show that owing to the existence of unique petal-shaped flames, the extinction boundary for the cross-stream arrangement can be extended appreciably, as compared with that for the conventional counterflow arrangement, through the interaction of the curved sections of the interacting flames. The stationary petal-shaped flames had four flame edges, consisting of two retreating edges with negative edge speed in the direction toward the burnt gas region and two propagating edges with positive edge speed in the direction toward the unburned mixture. The OH-PLIF images of the petal-shaped flames demonstrated a strong concentration interaction between the two curved flame sections. Hysteresis in the transition between the petal-shaped flame and the curved flame having planar wing sections were observed. The representative propagation speed of the retreating edges of the petal-shaped flames correlated reasonably with maximum flame luminosity. The extinction characteristics of the retreating edges can be described in terms of the local Karlovitz number, which accounted for the local characteristic reaction time. C1 [Ryu, S. K.; Lee, B. K.; Chung, S. H.] Seoul Natl Univ, Sch Mech Engn, Seoul 151742, South Korea. [Yang, S. Y.] Argonne Natl Lab, Ctr Transportat Res, Argonne, IL 60439 USA. RP Chung, SH (reprint author), Seoul Natl Univ, Sch Mech Engn, Seoul 151742, South Korea. EM shchung@snu.ac.kr FU CERC through IAMD FX This work was supported by CERC through IAMD. NR 30 TC 4 Z9 4 U1 0 U2 4 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1364-7830 J9 COMBUST THEOR MODEL JI Combust. Theory Model. PY 2009 VL 13 IS 2 BP 235 EP 250 AR PII 909263544 DI 10.1080/13647830802578411 PG 16 WC Thermodynamics; Energy & Fuels; Engineering, Chemical; Mathematics, Interdisciplinary Applications SC Thermodynamics; Energy & Fuels; Engineering; Mathematics GA 434RO UT WOS:000265292000002 ER PT J AU Nonaka, A Trebotich, D Miller, G Graves, D Colella, P AF Nonaka, Andrew Trebotich, David Miller, Gregory Graves, Daniel Colella, Phillip TI A HIGHER-ORDER UPWIND METHOD FOR VISCOELASTIC FLOW SO COMMUNICATIONS IN APPLIED MATHEMATICS AND COMPUTATIONAL SCIENCE LA English DT Article DE viscoelasticity; Oldroyd-B fluid; Godunov method; Riemann solver; projection method; embedded boundaries ID EMBEDDED BOUNDARY METHOD; HYPERBOLIC CONSERVATION-LAWS; NAVIER-STOKES EQUATIONS; GODUNOV METHOD; HEAT-EQUATION; IRREGULAR DOMAINS; POISSONS-EQUATION; PROJECTION METHOD; IDEAL MHD; OLDROYD-B AB We present a conservative finite difference method designed to capture elastic wave propagation in viscoelastic fluids in two dimensions. We model the incompressible Navier-Stokes equations with an extra viscoelastic stress described by the Oldroyd-B constitutive equations. The equations are cast into a hybrid conservation form which is amenable to the use of a second-order Godunov method for the hyperbolic part of the equations, including a new exact Riemann solver. A numerical stress splitting technique provides a well-posed discretization for the entire range of Newtonian and elastic fluids. Incompressibility is enforced through a projection method and a partitioning of variables that suppresses compressive waves. Irregular geometry is treated with an embedded boundary/volume-of-fluid approach. The method is stable for time steps governed by the advective Courant-Friedrichs- Lewy (CFL) condition. We present second-order convergence results in L-1 for a range of Oldroyd-B fluids. C1 [Nonaka, Andrew] Univ Calif Berkeley, Lawrence Berkeley Lab, Ctr Computat Sci & Engn, Berkeley, CA 94720 USA. [Trebotich, David; Graves, Daniel; Colella, Phillip] Univ Calif Berkeley, Lawrence Berkeley Lab, Appl Numer Algorithms Grp, Berkeley, CA 94720 USA. [Miller, Gregory] Univ Calif Davis, Dept Appl Sci, Davis, CA 95616 USA. RP Nonaka, A (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Ctr Computat Sci & Engn, Mail Stop 50A-1148,1 Cyclotron Rd, Berkeley, CA 94720 USA. EM AJNonaka@lbl.gov; DPTrebotich@lbl.gov; grgmiller@ucdavis.edu; DTGraves@lbl.gov; PColella@lbl.gov FU University of California, Lawrence Livermore National Laboratory (LLNL) [W-7405-Eng-48]; U.S. DOE Mathematical, Information, and Computer Sciences (MICS) Division [DE-AC02-05CH11231, DE-FG02-03ER25579]; Lawrence Livermore National Laboratory FX This work was performed under the auspices of the U.S. Department of Energy by the University of California, Lawrence Livermore National Laboratory (LLNL) under contract no. W-7405-Eng-48. Work at the Lawrence Berkeley National Laboratory was supported by the U.S. DOE Mathematical, Information, and Computer Sciences (MICS) Division under contract number DE-AC02-05CH11231. Work at the University of California, Davis was partially supported by the U.S. DOE MICS Division under contract number DE-FG02-03ER25579. A. Nonaka was supported by the Lawrence Livermore National Laboratory through the Student Employee Graduate Research Fellowship Program. At the time of this work, D. Trebotich was affiliated with LLNL's Center for Applied Scientific Computing. NR 35 TC 3 Z9 3 U1 0 U2 7 PU MATHEMATICAL SCIENCE PUBL PI BERKELEY PA UNIV CALIFORNIA, DEPT MATHEMATICS, BERKELEY, CA 94720-3840 USA SN 1559-3940 EI 2157-5452 J9 COMM APP MATH COM SC JI Commun. Appl. Math. Comput. Sci. PY 2009 VL 4 IS 1 BP 57 EP 83 DI 10.2140/camcos.2009.4.57 PG 27 WC Mathematics, Applied; Physics, Mathematical SC Mathematics; Physics GA 650VO UT WOS:000281881800003 ER PT J AU Barenblatt, GI AF Barenblatt, Grigory Isaakovich TI SHEAR FLOW LAMINARIZATION AND ACCELERATION BY SUSPENDED HEAVY PARTICLES: A MATHEMATICAL MODEL AND GEOPHYSICAL APPLICATIONS SO COMMUNICATIONS IN APPLIED MATHEMATICS AND COMPUTATIONAL SCIENCE LA English DT Article DE turbulence; turbulent shear flows; laminarization of turbulent flows; dust storms; tropical hurricanes; firestorms ID TROPICAL CYCLONES AB A modified model of turbulent shear flow of a suspension of small heavy particles in a fluid is presented. The modification is based on the assumption that in the flow there are two sorts of particles. For the particles of the first sort the velocity of free fall alpha(1) is larger than the characteristic velocity fluctuation, for the particles of the second sort the velocity of free fall alpha(2) is less than the characteristic velocity of fluctuation. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Barenblatt, GI (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, 1 Cyclotron Rd,Mail Stop 50A-1148, Berkeley, CA 94720 USA. EM gibar@math.berkeley.edu NR 18 TC 3 Z9 3 U1 0 U2 4 PU MATHEMATICAL SCIENCE PUBL PI BERKELEY PA UNIV CALIFORNIA, DEPT MATHEMATICS, BERKELEY, CA 94720-3840 USA SN 1559-3940 J9 COMM APP MATH COM SC JI Commun. Appl. Math. Comput. Sci. PY 2009 VL 4 IS 1 BP 153 EP 175 DI 10.2140/camcos.2009.4.153 PG 23 WC Mathematics, Applied; Physics, Mathematical SC Mathematics; Physics GA 650VO UT WOS:000281881800006 ER PT J AU Ambrose, DM Wilkening, J AF Ambrose, David M. Wilkening, Jon TI GLOBAL PATHS OF TIME-PERIODIC SOLUTIONS OF THE BENJAMIN-ONO EQUATION CONNECTING PAIRS OF TRAVELING WAVES SO COMMUNICATIONS IN APPLIED MATHEMATICS AND COMPUTATIONAL SCIENCE LA English DT Article DE periodic solutions; Benjamin-Ono equation; nonlinear waves; solitons; bifurcation; continuation; exact solution; adjoint equation; spectral method ID INVERSE SCATTERING TRANSFORM; INTERNAL WAVES; KDV EQUATION; WATER; SOLITONS; FLUIDS; PLANE AB We classify all bifurcations from traveling waves to nontrivial time-periodic solutions of the Benjamin-Ono equation that are predicted by linearization. We use a spectrally accurate numerical continuation method to study several paths of nontrivial solutions beyond the realm of linear theory. These paths are found to either reconnect with a different traveling wave or to blow up. In the latter case, as the bifurcation parameter approaches a critical value, the amplitude of the initial condition grows without bound and the period approaches zero. We then prove a theorem that gives the mapping from one bifurcation to its counterpart on the other side of the path and exhibits exact formulas for the time-periodic solutions on this path. The Fourier coefficients of these solutions are power sums of a finite number of particle positions whose elementary symmetric functions execute simple orbits (circles or epicycles) in the unit disk of the complex plane. We also find examples of interior bifurcations from these paths of already nontrivial solutions, but we do not attempt to analyze their analytic structure. C1 [Ambrose, David M.] Drexel Univ, Dept Math, Philadelphia, PA 19104 USA. [Wilkening, Jon] Univ Calif Berkeley, Dept Math, Berkeley, CA 94720 USA. [Wilkening, Jon] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Ambrose, DM (reprint author), Drexel Univ, Dept Math, Philadelphia, PA 19104 USA. EM ambrose@math.drexel.edu; wilken@math.berkeley.edu RI Ambrose, David/D-5396-2013 OI Ambrose, David/0000-0003-4753-0319 FU National Science Foundation [DMS-0926378]; U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported in part by the National Science Foundation through grant DMS-0926378, and by the Director, Office of Science, Computational and Technology Research, U.S. Department of Energy under contract no. DE-AC02-05CH11231. NR 39 TC 13 Z9 13 U1 0 U2 2 PU MATHEMATICAL SCIENCE PUBL PI BERKELEY PA UNIV CALIFORNIA, DEPT MATHEMATICS, BERKELEY, CA 94720-3840 USA SN 1559-3940 J9 COMM APP MATH COM SC JI Commun. Appl. Math. Comput. Sci. PY 2009 VL 4 IS 1 BP 177 EP 215 DI 10.2140/camcos.2009.4.177 PG 39 WC Mathematics, Applied; Physics, Mathematical SC Mathematics; Physics GA 650VO UT WOS:000281881800007 ER PT J AU Appelo, D Petersson, NA AF Appeloe, Daniel Petersson, N. Anders TI A Stable Finite Difference Method for the Elastic Wave Equation on Complex Geometries with Free Surfaces SO COMMUNICATIONS IN COMPUTATIONAL PHYSICS LA English DT Article DE Elastic wave equation; curvilinear grids; finite differences; stability; energy estimate; seismic wave propagation ID SPECTRAL-ELEMENT; QUARTER PLANE; PROPAGATION; 2D; BOUNDARIES; SIMULATION; STABILITY; SCHEMES; MESHES AB A stable and explicit second order accurate finite difference method for the elastic wave equation in curvilinear coordinates is presented. The discretization of the spatial operators in the method is shown to be self-adjoint for free-surface, Dirichlet and periodic boundary conditions. The fully discrete version of the method conserves a discrete energy to machine precision. C1 CALTECH, Dept Mech Engn, Pasadena, CA 91125 USA. [Petersson, N. Anders] Lawrence Livermore Natl Lab, Ctr Appl & Sci Comp, Livermore, CA 94551 USA. RP Appelo, D (reprint author), CALTECH, Dept Mech Engn, Pasadena, CA 91125 USA. EM appelo@caltech.edu; andersp@llnl.gov FU U.S. Department of Energy [DE-AC52-07NA27344] FX The authors would like to thank Bjorn Sjogreen and William Henshaw for stimulating discussions. This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 22 TC 57 Z9 62 U1 2 U2 11 PU GLOBAL SCIENCE PRESS PI WANCHAI PA ROOM 2303, OFFICER TOWER, CONVENTION PLAZA, 1 HARBOUR ROAD, WANCHAI, HONG KONG 00000, PEOPLES R CHINA SN 1815-2406 J9 COMMUN COMPUT PHYS JI Commun. Comput. Phys. PD JAN PY 2009 VL 5 IS 1 BP 84 EP 107 PG 24 WC Physics, Mathematical SC Physics GA 392IE UT WOS:000262295600004 ER PT J AU Prokisch, J Szeles, E Kovacs, B Gyori, Z Nemeth, T West, L Harper, S Adriano, D AF Prokisch, Jozsef Szeles, Eva Kovacs, Bela Gyori, Zoltan Nemeth, Tamas West, Larry Harper, Steve Adriano, Domy TI Sampling Strategies for Testing and Evaluation of Soil Contamination in Riparian Systems at the Tisza River Basin, Hungary SO COMMUNICATIONS IN SOIL SCIENCE AND PLANT ANALYSIS LA English DT Article; Proceedings Paper CT 10th International Symposium on Soil and Plant Analysis CY JUN 11-15, 2007 CL Budapest, HUNGARY DE Cadmium; contamination; heavy metals; lead; zinc ID SEDIMENTS AB During the year 2000, two significant pollution waves came from Romanian mines to Hungary and went along the Tisza River, causing serious damage to the ecosystem of the river. The first one, cyanide pollution, at the end of January had an instantaneous effect on the living system; the second, heavy-metal pollution in March, resulted in a long-term effect. The heavy-metal pollution that arrived with floods had two results. On the one hand, increased water speed decreased the grade of sedimentation in the riverbed, and on the other hand, river flooding introduced contaminated water and sediment to the floodplain. After the withdrawal of the flood, a few centimeters of grey sediment remained in the floodplain. Subsequent floods in 2000 and 2001 resuspended and diluted the contaminated sediment on the floodplain. Heavy metals (primarily lead, zinc, cadmium) deposited on the floodplain may have a potential time bomb effect. The aim of this study was to investigate the copper, cadmium, zinc, and lead contamination and bio-availability on the floodplain applying a novel sampling strategy. C1 [Prokisch, Jozsef; Szeles, Eva; Kovacs, Bela; Gyori, Zoltan] Univ Debrecen, Dept Food Sci & Qual Control, H-4032 Debrecen, Hungary. [Nemeth, Tamas] Hungarian Acad Sci, RISSAC, Budapest, Hungary. [West, Larry; Harper, Steve; Adriano, Domy] Univ Georgia, Savannah River Ecol Lab, Aiken, SC USA. RP Prokisch, J (reprint author), Univ Debrecen, Dept Food Sci & Qual Control, Boszormenyi Ut 138, H-4032 Debrecen, Hungary. EM jprokisch@agr.date.hu NR 17 TC 7 Z9 7 U1 0 U2 3 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA SN 0010-3624 EI 1532-2416 J9 COMMUN SOIL SCI PLAN JI Commun. Soil Sci. Plant Anal. PY 2009 VL 40 IS 1-6 SI SI BP 391 EP 406 AR PII 909557643 DI 10.1080/00103620802649039 PG 16 WC Agronomy; Plant Sciences; Chemistry, Analytical; Soil Science SC Agriculture; Plant Sciences; Chemistry GA 419KS UT WOS:000264218900028 ER PT J AU Maday, Y Nguyen, NC Patera, AT Pau, GSH AF Maday, Yvon Nguyen, Ngoc Cuong Patera, Anthony T. Pau, George S. H. TI A GENERAL MULTIPURPOSE INTERPOLATION PROCEDURE: THE MAGIC POINTS SO COMMUNICATIONS ON PURE AND APPLIED ANALYSIS LA English DT Article DE Empirical interpolation; polynomial interpolation; magic points ID PARTIAL-DIFFERENTIAL-EQUATIONS; REDUCED-BASIS APPROXIMATIONS; POLYNOMIAL INTERPOLATION; REAL FUNCTIONS; TETRAHEDRON; TRIANGLE; ERROR AB Lagrangian interpolation is a classical way to approximate general functions by finite sums of well chosen, pre-defined, linearly independent interpolating functions; it is much simpler to implement than determining the best fits with respect to some Banach (or even Hilbert) norms. In addition, only partial knowledge is required (here values on some set of points). The problem of defining the best sample of points is nevertheless rather complex and is in general open. In this paper we propose a way to derive such sets of points. We do not claim that the points resulting from the construction explained here are optimal in any sense. Nevertheless, the resulting interpolation method is proven to work under certain hypothesis, the process is very general and simple to implement, and compared to situations where the best behavior is known, it is relatively competitive. C1 [Maday, Yvon] Univ Paris 06, UMR 7598, Lab Jacques Louis Lions, F-75005 Paris, France. [Maday, Yvon] Brown Univ, Div Appl Math, Providence, RI 02912 USA. [Nguyen, Ngoc Cuong] MIT, Dept Aeronaut & Astronaut, Cambridge, MA 02139 USA. [Patera, Anthony T.] MIT, Dept Mech Engn, Cambridge, MA 02139 USA. [Pau, George S. H.] Univ Calif Berkeley, Lawrence Berkeley Lab, Ctr Computat Sci & Engn, Berkeley, CA 94720 USA. RP Maday, Y (reprint author), Univ Paris 06, UMR 7598, Lab Jacques Louis Lions, F-75005 Paris, France. EM maday@ann.jussieu.fr; cuongng@mit.edu; patera@mit.edu; gpau@lbl.gov RI Maday, Yvon/C-1397-2013; Pau, George Shu Heng/F-2363-2015 OI Maday, Yvon/0000-0002-0443-6544; Pau, George Shu Heng/0000-0002-9198-6164 NR 25 TC 59 Z9 59 U1 1 U2 2 PU AMER INST MATHEMATICAL SCIENCES PI SPRINGFIELD PA PO BOX 2604, SPRINGFIELD, MO 65801-2604 USA SN 1534-0392 J9 COMMUN PUR APPL ANAL JI Commun. Pure Appl. Anal PD JAN PY 2009 VL 8 IS 1 BP 383 EP 404 DI 10.3934/cpaa.2009.8.383 PG 22 WC Mathematics, Applied; Mathematics SC Mathematics GA 401QY UT WOS:000262958100020 ER PT J AU Thomas, EV Phillippy, KH Brahamsha, B Haaland, DM Timlin, JA Elbourne, LDH Palenik, B Paulsen, IT AF Thomas, E. V. Phillippy, K. H. Brahamsha, B. Haaland, D. M. Timlin, J. A. Elbourne, L. D. H. Palenik, B. Paulsen, I. T. TI Statistical Analysis of Microarray Data with Replicated Spots: A Case Study with Synechococcus WH8102 SO COMPARATIVE AND FUNCTIONAL GENOMICS LA English DT Article ID GENE-EXPRESSION; SYSTEM; DESIGN AB Until recently microarray experiments often involved relatively few arrays with only a single representation of each gene on each array. A complete genome microarray with multiple spots per gene (spread out spatially across the array) was developed in order to compare the gene expression of a marine cyanobacterium and a knockout mutant strain in a defined artificial seawater medium. Statistical methods were developed for analysis in the special situation of this case study where there is gene replication within an array and where relatively few arrays are used, which can be the case with current array technology. Due in part to the replication within an array, it was possible to detect very small changes in the levels of expression between the wild type and mutant strains. One interesting biological outcome of this experiment is the indication of the extent to which the phosphorus regulatory system of this cyanobacterium affects the expression of multiple genes beyond those strictly involved in phosphorus acquisition. Copyright (C) 2009 E. V. Thomas et al. C1 [Thomas, E. V.] Sandia Natl Labs, Dept Independent Surveillance Assessment & Stat, Albuquerque, NM 87185 USA. [Phillippy, K. H.] NIH, Natl Lib Med, Natl Ctr Biotechnol Informat, Bethesda, MD 20894 USA. [Brahamsha, B.; Palenik, B.] Univ Calif San Diego, Scripps Inst Oceanog, La Jolla, CA 92093 USA. [Haaland, D. M.; Timlin, J. A.] Sandia Natl Labs, Dept Biomol Anal & Imaging, Albuquerque, NM 87185 USA. [Elbourne, L. D. H.; Paulsen, I. T.] Macquarie Univ, Dept Chem & Biomol Sci, Sydney, NSW 2109, Australia. RP Thomas, EV (reprint author), Sandia Natl Labs, Dept Independent Surveillance Assessment & Stat, POB 5800, Albuquerque, NM 87185 USA. EM evthoma@sandia.gov RI Elbourne, Liam/G-6150-2011; Paulsen, Ian/K-3832-2012; OI Elbourne, Liam/0000-0002-9784-0959; Paulsen, Ian/0000-0001-9015-9418; Timlin, Jerilyn/0000-0003-2953-1721 NR 20 TC 4 Z9 4 U1 0 U2 3 PU HINDAWI PUBLISHING CORPORATION PI NEW YORK PA 410 PARK AVENUE, 15TH FLOOR, #287 PMB, NEW YORK, NY 10022 USA SN 1531-6912 J9 COMP FUNCT GENOM JI Compar. Funct. Genom. PY 2009 AR 950171 DI 10.1155/2009/950171 PG 11 WC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Genetics & Heredity SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Genetics & Heredity GA 440TW UT WOS:000265723600001 PM 19404483 ER PT J AU Bettencourt, LMA Lobo, J West, GB AF Bettencourt, Luis M. A. Lobo, Jose West, Geoffrey B. BE Lane, D Pumain, D VanderLeeuw, S West, G TI The Self Similarity of Human Social Organization and Dynamics in Cities SO COMPLEXITY PERSPECTIVES IN INNOVATION AND SOCIAL CHANGE SE Methodos Series LA English DT Article; Book Chapter ID TECHNOLOGICAL-CHANGE; POPULATION-GROWTH; GENERAL-MODEL; LIFE; RETURNS; PACE C1 [Bettencourt, Luis M. A.] Los Alamos Natl Lab, Div Theoret, Santa Fe, NM USA. [Lobo, Jose] Arizona State Univ, Sch Human Evolut & Social Change, Tempe, AZ USA. [Lobo, Jose] Arizona State Univ, WP Carey Sch Business, Tempe, AZ USA. [Bettencourt, Luis M. A.; West, Geoffrey B.] Arizona State Univ, Math Computat & Modeling Sci Ctr, Tempe, AZ USA. [Bettencourt, Luis M. A.] Santa Fe Inst, Santa Fe, NM 87501 USA. [Bettencourt, Luis M. A.; West, Geoffrey B.] Los Alamos Natl Lab, Santa Fe Inst, Tempe, AZ USA. RP Bettencourt, LMA (reprint author), Los Alamos Natl Lab, Div Theoret, Santa Fe, NM USA. NR 28 TC 1 Z9 2 U1 0 U2 2 PU SPRINGER PI DORDRECHT PA PO BOX 17, 3300 AA DORDRECHT, NETHERLANDS BN 978-1-4020-9663-1 J9 METHODS SER PY 2009 VL 7 BP 221 EP 236 DI 10.1007/978-1-4020-9663-1_8 D2 10.1007/978-1-4020-9663-1 PG 16 WC Demography; Geography; Social Sciences, Interdisciplinary SC Demography; Geography; Social Sciences - Other Topics GA BLI78 UT WOS:000270257400008 ER PT S AU Gorton, I Chase, J Wynne, A Almquist, J Chappell, A AF Gorton, Ian Chase, Jared Wynne, Adam Almquist, Justin Chappell, Alan BE Lewis, GA Poernomo, I Hofmeister, C TI Services plus Components = Data Intensive Scientific Workflow Applications with MeDICi SO COMPONENT-BASED SOFTWARE ENGINEERING, PROCEEDINGS SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 12th International Symposium on Component-Based Software Engineering CY JUN 24-26, 2009 CL E Stroudsburg, PA DE workflow; middleware; components; services AB Scientific applications are often structured as workflows that execute a series of distributed software modules to analyze large data sets. Such workflows are typically constructed using general-purpose scripting languages to coordinate the execution of the various modules and to exchange data sets between them. While such scripts provide a cost-effective approach for simple workflows, as the workflow structure becomes complex and evolves, the scripts quickly become complex and difficult to modify. This makes them a major barrier to easily and quickly deploying new algorithms and exploiting new, scalable hardware platforms. In this paper, we describe the MeDICi Workflow technology that is specifically designed to reduce the complexity of workflow application development, and to efficiently handle data intensive workflow applications. MeDICi integrates standard component-based and service-based technologies, and employs an efficient integration mechanism to ensure large data sets can be efficiently processed. We illustrate the use of MeDICi with a climate data processing example that we have built, and describe some of the new features we are creating to further enhance MeDICi Workflow applications. C1 [Gorton, Ian; Chase, Jared; Wynne, Adam; Almquist, Justin; Chappell, Alan] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Gorton, I (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. RI Gorton, Ian/A-8247-2009; OI Chappell, Alan/0000-0003-0479-3223 NR 16 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-642-02413-9 J9 LECT NOTES COMPUT SC PY 2009 VL 5582 BP 227 EP 241 PG 15 WC Computer Science, Software Engineering; Computer Science, Theory & Methods SC Computer Science GA BKH12 UT WOS:000268062200014 ER PT S AU Garland, R Miller, EL AF Garland, R. Miller, E. L. BE ShahedipourSandvik, F Schubert, EF Bell, LD Tilak, V Bett, AW TI THE U S DEPARTMENT OF ENERGY'S WORKING GROUP ON PHOTOELECTROCHEMICAL HYDROGEN PRODUCTION PROMOTING TECHNOLOGY ENABLING BREAKTHROUGHS IN SEMICONDUCTOR MATERIALS RESEARCH SO COMPOUND SEMICONDUCTORS FOR ENERGY APPLICATIONS AND ENVIRONMENTAL SUSTAINABILITY SE Materials Research Society Symposium Proceedings LA English DT Proceedings Paper CT Symposium on Compound Semiconductors for Energy Applications and Environmental Sustainability CY APR 14-16, 2009 CL San Francisco, CA ID THIN-FILMS; ALPHA-FE2O3 FILMS; TUNGSTEN-OXIDE; WATER; SOLAR; PHOTOELECTROLYSIS; IDENTIFICATION; SURFACE AB Photoelectrochemical (PEC) hydrogen production using sunlight to split water is an important enabling technology for a future Green economy which will rely in part on hydrogen as an energy currency The traditional semiconductor-based PEC material systems studied to date, however have been unable to meet all the performance durability and cost requirements for practical hydrogen production Technology enabling breakthroughs are needed in the development of new, advanced materials systems and toward this end the U S Department of Energy s Working Group on PEC Hydrogen Production is bringing together experts in analysis theory synthesis and characterization from the academic, industry and national laboratory research sectors Key Working Group activities, as described in this paper include performing techno-economic analyses of large scale PEC production systems and establishing standardized testing and screening protocols for candidate PEC materials systems In addition a number of Working Group Task Forces" are focused on advancing critical PEC materials theory synthesis and characterization capabilities for application in the research and development of broad ranging materials systems of promise, including complex metal oxide and -nitride compounds amorphous silicon alloys Ill V semiconductors and the copper chalcopyrites The current status of Working Group activities and progress is summarized C1 [Garland, R.] US DOE, Off Hydrogen Fuel Cells & Infrastruct Technol, Off Energy Efficiency & Renewable Energy, Washington, DC 20585 USA. RP Garland, R (reprint author), US DOE, Off Hydrogen Fuel Cells & Infrastruct Technol, Off Energy Efficiency & Renewable Energy, Washington, DC 20585 USA. RI Dom, Rekha/B-7113-2012 NR 37 TC 0 Z9 0 U1 0 U2 2 PU MATERIALS RESEARCH SOCIETY PI WARRENDALE PA 506 KEYSTONE DRIVE, WARRENDALE, PA 15088-7563 USA SN 0272-9172 J9 MATER RES SOC SYMP P PY 2009 VL 1167 BP 177 EP 188 PG 12 WC Materials Science, Multidisciplinary; Physics, Condensed Matter SC Materials Science; Physics GA BSL59 UT WOS:000284863400026 ER PT J AU Brown, SD Tauler, R Walczak, B AF Brown, Steven D. Tauler, Roma Walczak, Beata BE Brown, SD Tauler, R Walczak, B TI COMPREHENSIVE CHEMOMETRICS Chemical and Biochemical Data Analysis Preface SO COMPREHENSIVE CHEMOMETRICS: CHEMICAL AND BIOCHEMICAL DATA ANALYSIS, VOLS 1-4 LA English DT Editorial Material; Book Chapter C1 [Brown, Steven D.] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Brown, Steven D.] Lawrence Berkeley Natl Lab, Berkeley, CA USA. [Brown, Steven D.] Univ Delaware, Dept Chem & Biochem, Newark, DE 19716 USA. [Brown, Steven D.] Amer Chem Soc, Washington, DC 20036 USA. [Tauler, Roma] CSIC, Inst Environm Assessment & Water Res IDAEA, Barcelona, Spain. [Tauler, Roma] Univ Barcelona, Dept Analyt Chem, E-08007 Barcelona, Spain. [Tauler, Roma] Univ Innsbruck, Inst Anorg & Anal Chem, Innsbruck, Austria. [Tauler, Roma] Univ Washington, Dept Chem, CPAC, Seattle, WA 98195 USA. [Walczak, Beata] Silesian Univ, Inst Chem, Katowice, Poland. RP Brown, SD (reprint author), Univ Delaware, Dept Chem & Biochem, Newark, DE 19716 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-44-452701-1 PY 2009 BP IX EP IX PG 1 WC Chemistry, Medicinal; Pharmacology & Pharmacy SC Pharmacology & Pharmacy GA BCS71 UT WOS:000311292900001 ER PT J AU Bader, BW AF Bader, B. W. BE Brown, SD Tauler, R Walczak, B TI Constrained and Unconstrained Optimization SO COMPREHENSIVE CHEMOMETRICS: CHEMICAL AND BIOCHEMICAL DATA ANALYSIS, VOLS 1-4 LA English DT Article; Book Chapter ID CONVERGENCE CONDITIONS; ASCENT METHODS; ALGORITHM; SEARCH C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Bader, BW (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 22 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-44-452701-1 PY 2009 BP 507 EP 545 PG 39 WC Chemistry, Medicinal; Pharmacology & Pharmacy SC Pharmacology & Pharmacy GA BCS71 UT WOS:000311292900017 ER PT J AU Brown, SD Tauler, R Walczak, B AF Brown, Steven D. Tauler, Roma Walczak, Beata BE Brown, SD Tauler, R Walczak, B TI COMPREHENSIVE CHEMOMETRICS Chemical and Biochemical Data Analysis Preface SO COMPREHENSIVE CHEMOMETRICS: CHEMICAL AND BIOCHEMICAL DATA ANALYSIS, VOLS 1-4 LA English DT Editorial Material; Book Chapter C1 [Brown, Steven D.] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Brown, Steven D.] Lawrence Berkeley Natl Lab, Berkeley, CA USA. [Brown, Steven D.] Washington State Univ, Pullman, WA 99164 USA. [Brown, Steven D.] Univ Delaware, Dept Chem & Biochem, Newark, DE 19716 USA. [Brown, Steven D.] Amer Chem Soc, Washington, DC 20036 USA. [Tauler, Roma] CSIC, Inst Environm Assessment & Water Res IDAEA, Barcelona, Spain. [Tauler, Roma] Univ Barcelona, Dept Analyt Chem, E-08007 Barcelona, Spain. [Tauler, Roma] Univ Innsbruck, Inst Anorg & Anal Chem, A-6020 Innsbruck, Austria. [Tauler, Roma] Univ Washington, Dept Chem, CPAC, Seattle, WA 98195 USA. [Walczak, Beata] Silesian Univ, Inst Chem, Katowice, Poland. RP Brown, SD (reprint author), Univ Delaware, Dept Chem & Biochem, Newark, DE 19716 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-44-452701-1 PY 2009 BP ARXIII EP ARXIII PG 1 WC Chemistry, Medicinal; Pharmacology & Pharmacy SC Pharmacology & Pharmacy GA BCS71 UT WOS:000311292900022 ER PT J AU Brown, SD Tauler, R Walczak, B AF Brown, Steven D. Tauler, Roma Walczak, Beata BE Brown, SD Tauler, R Walczak, B TI COMPREHENSIVE CHEMOMETRICS Chemical and Biochemical Data Analysis Preface SO COMPREHENSIVE CHEMOMETRICS: CHEMICAL AND BIOCHEMICAL DATA ANALYSIS, VOLS 1-4 LA English DT Editorial Material; Book Chapter C1 [Brown, Steven D.] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Brown, Steven D.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Brown, Steven D.] Washington State Univ, Pullman, WA 99164 USA. [Brown, Steven D.] Univ Delaware, Dept Chem & Biochem, Newark, DE 19716 USA. [Brown, Steven D.] Dept Chem & Biochem, Newark, DE 19716 USA. [Brown, Steven D.] Amer Chem Soc, Washington, DC 20036 USA. [Tauler, Roma] CSIC, Inst Environm Assessment & Water Res IDAEA, Barcelona, Spain. [Tauler, Roma] Univ Barcelona, Dept Analyt Chem, E-08007 Barcelona, Spain. [Tauler, Roma] Univ Innsbruck, Inst Anorg & Anal Chem, A-6020 Innsbruck, Austria. [Tauler, Roma] Univ Washington, Dept Chem, CPAC, Seattle, WA 98195 USA. [Walczak, Beata] Silesian Univ, Inst Chem, Katowice, Poland. RP Brown, SD (reprint author), Univ Delaware, Dept Chem & Biochem, Newark, DE 19716 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-44-452701-1 PY 2009 BP BRXI EP BRXI PG 1 WC Chemistry, Medicinal; Pharmacology & Pharmacy SC Pharmacology & Pharmacy GA BCS71 UT WOS:000311292900054 ER PT J AU Brown, SD Tauler, R Walczak, B AF Brown, Steven D. Tauler, Roma Walczak, Beata BE Brown, SD Tauler, R Walczak, B TI COMPREHENSIVE CHEMOMETRICS Chemical and Biochemical Data Analysis Preface SO COMPREHENSIVE CHEMOMETRICS: CHEMICAL AND BIOCHEMICAL DATA ANALYSIS, VOLS 1-4 LA English DT Editorial Material; Book Chapter C1 [Brown, Steven D.] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Brown, Steven D.] Lawrence Berkeley Natl Lab, Berkeley, CA USA. [Brown, Steven D.] Washington State Univ, Pullman, WA 99164 USA. [Brown, Steven D.] Univ Delaware, Dept Chem & Biochem, Newark, DE 19716 USA. [Brown, Steven D.] Amer Chem Soc, Washington, DC 20036 USA. [Tauler, Roma] CSIC, Inst Environm Assessment & Water Res IDAEA, Barcelona, Spain. [Tauler, Roma] Univ Barcelona, Dept Analyt Chem, E-08007 Barcelona, Spain. [Tauler, Roma] Univ Innsbruck, Inst Anorg & Anal Chem, A-6020 Innsbruck, Austria. [Tauler, Roma] Univ Washington, Dept Chem, CPAC, Seattle, WA 98195 USA. [Walczak, Beata] Silesian Univ, Inst Chem, Katowice, Poland. RP Brown, SD (reprint author), Univ Delaware, Dept Chem & Biochem, Newark, DE 19716 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-44-452701-1 PY 2009 BP CRXI EP CRXI PG 1 WC Chemistry, Medicinal; Pharmacology & Pharmacy SC Pharmacology & Pharmacy GA BCS71 UT WOS:000311292900079 ER PT J AU Hu, QH Moran, JE Blackwood, B AF Hu, Qinhong Moran, Jean E. Blackwood, Van BE Preedy, VR Burrow, GN Watson, RR TI Geochemical Cycling of Iodine Species in Soils SO COMPREHENSIVE HANDBOOK OF IODINE: NUTRITIONAL, BIOCHEMICAL, PATHOLOGICAL AND THERAPEUTIC ASPECTS LA English DT Article; Book Chapter ID PLASMA-MASS SPECTROMETRY; FUEL REPROCESSING FACILITIES; CHEMICAL FORMS; SAVANNA RIVER; I-129; SORPTION; TRACER; ENVIRONMENT; SEDIMENTS; MINERALS AB Iodine is an important element in studies of environmental protection and human health, global-scale hydrologic processes, and nuclear nonproliferation. Biogeochemical cycling of iodine in soils is complex, because iodine occurs in multiple oxidation states and as inorganic and organic species that may be hydrophilic, atmophilic, and biophilic. In this study, we applied new analytical techniques to study the content and speciation of stable iodine in representative surface soils, and sorption and transport behavior of iodine species (iodide, iodate, and 4-iodoaniline) in sediments collected at numerous nuclear facilities in the United States, where anthropogenic I-129 from prior nuclear fuel processing activities poses an environmental risk. The surface soil samples were chosen for their geographic locations (e.g., near the ocean or nuclear facilities) and for their differing physico-chemical characteristics (organic matter, texture, etc.). Extracted solutions were analyzed by IC and ICP-MS methods to determine iodine concentrations and to examine iodine speciation (iodide, iodate, and organic iodine). In natural soils, iodine is mostly (nearly 90% of total iodine) present as organic species, while inorganic iodine becomes important (up to 50%) only in sediments with low organic matter. Results from laboratory column studies, aimed at examining transport of different iodine species, showed much greater retardation of 4-iodoaniline than iodide or iodate. Careful attention must be given to potential interconversion among species when interpreting the biogeochemical behavior of iodine in the environment. In addition to speciation, input concentration and residence time effects will influence the biogeochemical cycling of anthropogenic I-129 deposited on surface soils. C1 [Hu, Qinhong] Beijing Normal Univ, Coll Water Sci, Beijing 100875, Peoples R China. [Hu, Qinhong] Univ Texas Arlington, Dept Earth & Environm Sci, Arlington, TX 76019 USA. [Moran, Jean E.] Lawrence Livermore Natl Lab, Chem Mat Earth & Life Sci Directorate, Livermore, CA 94550 USA. [Blackwood, Van] Colorado Sch Mines, Dept Geol & Geol Engn, Golden, CO 80401 USA. RP Hu, QH (reprint author), Beijing Normal Univ, Coll Water Sci, Xinjiekouwai St 19, Beijing 100875, Peoples R China. NR 50 TC 12 Z9 13 U1 0 U2 7 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-08-092086-3 PY 2009 BP 93 EP 105 DI 10.1016/B978-0-12-374135-6.00010-8 PG 13 WC Biochemistry & Molecular Biology; Endocrinology & Metabolism; Nutrition & Dietetics SC Biochemistry & Molecular Biology; Endocrinology & Metabolism; Nutrition & Dietetics GA BCR55 UT WOS:000311104900011 ER PT S AU Boye, RR Nelson, CL AF Boye, R. R. Nelson, C. L. BE Bouman, CA Miller, EL Pollak, I TI Comparison of Subpixel Image Registration Algorithms SO COMPUTATIONAL IMAGING VII SE Proceedings of SPIE-The International Society for Optical Engineering LA English DT Proceedings Paper CT Conference on Computational Imaging VII CY JAN 19-20, 2009 CL San Jose, CA SP IS&T - Soc Imaging Sci & Technol, SPIE DE Super resolution; image registration; aliasing; subpixel ID THIN OBSERVATION MODULE; BOUND OPTICS; SUPERRESOLUTION; RECONSTRUCTION; RESOLUTION; NOISY AB Research into the use of multiframe superresolution has led to the development of algorithms for providing images with enhanced resolution using several lower resolution copies. An integral component of these algorithms is the determination of the registration of each of the low resolution images to a reference image. Without this information, no resolution enhancement can be attained. We have endeavored to find a suitable method for registering severely undersampled images by comparing several approaches. To test the algorithms, an ideal image is input to a simulated image formation program, creating several undersampled images with known geometric transformations. The registration algorithms are then applied to the set of low resolution images and the estimated registration parameters compared to the actual values. This investigation is limited to monochromatic images (extension to color images is not difficult) and only considers global geometric transformations. Each registration approach will be reviewed and evaluated with respect to the accuracy of the estimated registration parameters as well as the computational complexity required. In addition, the effects of image content, specifically spatial frequency content, as well as the immunity of the registration algorithms to noise will be discussed. C1 [Boye, R. R.; Nelson, C. L.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Boye, RR (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 15 TC 1 Z9 1 U1 0 U2 1 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-7496-4 J9 P SOC PHOTO-OPT INS PY 2009 VL 7246 AR 72460X DI 10.1117/12.810369 PG 9 WC Microscopy; Optics; Radiology, Nuclear Medicine & Medical Imaging SC Microscopy; Optics; Radiology, Nuclear Medicine & Medical Imaging GA BVG09 UT WOS:000291439400026 ER PT S AU Theiler, J Scovel, C AF Theiler, James Scovel, Clint BE Bouman, CA Miller, EL Pollak, I TI Uncorrelated versus Independent Elliptically-Contoured Distributions for Anomalous Change Detection in Hyperspectral Imagery SO COMPUTATIONAL IMAGING VII SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Computational Imaging VII CY JAN 19-20, 2009 CL San Jose, CA SP IS&T - Soc Imaging Sci & Technol, SPIE DE change; hyperspectral; elliptically-distributed; covariance AB The detection of actual changes in a pair of images is confounded by the inadvertent but pervasive differences that inevitably arise whenever two pictures are taken of the same scene, but at different times and under different conditions. These differences include effects due to illumination, calibration, misregistration, etc. If the actual changes are assumed to be rare, then one can "learn" what the pervasive differences are, and can identify the deviations from this pattern as the anomalous changes. A recently proposed framework for anomalous change detection recasts the problem as one of binary classification between pixel pairs in the data and pixel pairs that are independently chosen from the two images. When an elliptically-contoured (EC) distribution is assumed for the data, then analytical expressions can be derived for the measure of anomalousness of change. However, these expression are only available for a limited class of EC distributions. By replacing independent pixel pairs with uncorrelated pixel pairs, an approximate solution can be found for a much broader class of EC distributions. The performance of this approximation is investigated analytically and empirically, and includes experiments comparing the detection of real changes in real data. C1 [Theiler, James; Scovel, Clint] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Theiler, J (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. NR 19 TC 1 Z9 1 U1 0 U2 1 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-7496-4 J9 PROC SPIE PY 2009 VL 7246 AR 72460T DI 10.1117/12.814325 PG 12 WC Microscopy; Optics; Radiology, Nuclear Medicine & Medical Imaging SC Microscopy; Optics; Radiology, Nuclear Medicine & Medical Imaging GA BVG09 UT WOS:000291439400022 ER PT J AU Frette, OI Virnovsky, G Silin, D AF Frette, Olav Inge Virnovsky, George Silin, Dmitriy TI Estimation of the curvature of an interface from a digital 2D image SO COMPUTATIONAL MATERIALS SCIENCE LA English DT Article DE Curvature estimation; Condensed phase interface; Digital image analysis; Porous rock; Curvature-driven processes ID DIFFUSION; TRANSPORT; ALGORITHM; GROWTH; MODEL AB In this paper a method for the estimation of the curvature along a condensed phase interface is presented. In a previous paper in this journal [J.W. Bullard, E.J. Garboczi, W.C. Carter, E.R. Fuller Jr., Computational Materials Science 4 (1995) 103-116] a mathematical relationship was established between this curvature and a template disk located at a given point along the interface. The portion of the computed area of the template disk covering one of the phases was shown to be asymptotically linear in the curvature. instead of utilizing this relationship, an empirical approach was proposed in Bullard et al. in order to compensate for discrete uncertainties. In this paper, we show that this linear relationship can be used directly along the interface avoiding the empirical approach proposed earlier. Modifications of the algorithm are however needed, and with good data smoothing techniques, our method provides good quantitative curvature estimates. (c) 2008 Elsevier B.V. All rights reserved. C1 [Frette, Olav Inge; Virnovsky, George] IRIS, NO-4068 Stavanger, Norway. [Frette, Olav Inge] Univ Stavanger, Dept Petr Technol, NO-4036 Stavanger, Norway. [Silin, Dmitriy] Lawrence Berkeley Natl Lab, Berkeley, CA 94729 USA. [Silin, Dmitriy] Univ Calif Berkeley, Berkeley, CA 94720 USA. RP Frette, OI (reprint author), IRIS, Prof Olav Hanssensvei 15, NO-4068 Stavanger, Norway. EM Inge.Frette@iris.no FU Norwegian Research Council; ConocoPhillips and the Ekofisk Coventurers; TOTAL; ENI; StatoilHydro; Petoro; COREC FX The authors acknowledge financial support from the Norwegian Research Council and from ConocoPhillips and the Ekofisk Coventurers, including TOTAL, ENI, StatoilHydro and Petoro, through the research center COREC. The authors also thank Erich Suter for valuable discussions. NR 28 TC 11 Z9 12 U1 0 U2 9 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-0256 J9 COMP MATER SCI JI Comput. Mater. Sci. PD JAN PY 2009 VL 44 IS 3 BP 867 EP 875 DI 10.1016/j.commatsci.2008.06.006 PG 9 WC Materials Science, Multidisciplinary SC Materials Science GA 396HK UT WOS:000262582600004 ER PT J AU Souvatzis, P Eriksson, O Katsnelson, MI Rudin, SP AF Souvatzis, P. Eriksson, O. Katsnelson, M. I. Rudin, S. P. TI The self-consistent ab initio lattice dynamical method SO COMPUTATIONAL MATERIALS SCIENCE LA English DT Article DE Self-consistent; Phonon calculation; Anharmonic; Phase transition; SCAILD; Phonon-phonon interaction ID GROUP-IV METALS; TOTAL-ENERGY CALCULATIONS; PHONON-DISPERSION; BCC PHASE; FCC METALS; ZR; THERMODYNAMICS; PECULIARITIES AB We describe a method for calculating temperature dependent phonon spectra self consistently from first principles. The method combines concepts from Born's self-consistent phonon approach with ab initio calculations of accurate interatomic forces in a supercell. Test calculations on the high temperature bcc phase of Ti, Zr, Hf, Sc and Y. as representative examples, reproduce the observed high temperature phonon frequencies with good accuracy. By use of an embedded atom potential we demonstrate the method's relevance in calculating approximate critical temperatures of solid-solid phase transitions for the hcp to bcc transition in Zr. (c) 2008 Elsevier B.V. All rights reserved. C1 [Souvatzis, P.; Eriksson, O.] Uppsala Univ, Dept Phys & Mat Sci, SE-75121 Uppsala, Sweden. [Katsnelson, M. I.] Radboud Univ Nijmegen, Inst Mol & Mat, NL-6525 ED Nijmegen, Netherlands. [Rudin, S. P.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Souvatzis, P (reprint author), Uppsala Univ, Dept Phys & Mat Sci, Box 530, SE-75121 Uppsala, Sweden. EM petros.souvatzis@gmail.com RI Katsnelson, Mikhail/D-4359-2012; Eriksson, Olle/E-3265-2014 OI Eriksson, Olle/0000-0001-5111-1374 NR 22 TC 33 Z9 33 U1 3 U2 34 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-0256 J9 COMP MATER SCI JI Comput. Mater. Sci. PD JAN PY 2009 VL 44 IS 3 BP 888 EP 894 DI 10.1016/j.commatsci.2008.06.016 PG 7 WC Materials Science, Multidisciplinary SC Materials Science GA 396HK UT WOS:000262582600007 ER PT S AU Konovalov, V Dupuy, JL Pimont, F Morvan, D Linn, RR AF Konovalov, V. Dupuy, J. -L. Pimont, F. Morvan, D. Linn, R. R. BE Brebbia, CA Carlosmagno, GM TI Assessment of the plume theory predictions of crown scorch or crown fire initiation using transport models SO COMPUTATIONAL METHODS AND EXPERIMENTAL MEASUREMENTS XIV SE WIT Transactions on Modelling and Simulation LA English DT Proceedings Paper CT 14th International Conference on Computational Methods and Experimental Measurements CY 2009 CL Algarve, PORTUGAL SP Wessex Inst Technol, WIT Transact Modelling & Simulat DE crown scorch and crown fire ignition; plume theory; van Wagner criteria; FIRESTAR 2D and FIRETEC wildfire simulators AB The aim of our work is to numerically study crown scorch and crown fire ignition as the effects of a fire line spreading through surface fuel under a tree canopy. The objective was to assess the usual assumptions made when one uses the Van Wagner criteria, based on plume theory, to estimate crown scorch or crown fire ignition. The Van Wagner criteria are indeed simple predictive models for crown scorch height or crown fire initiation occurrence. For this purpose the FIRESTAR 2D and FIRETEC wildfire simulators are used. We simulated the fire line by a heat source at ground level and mainly investigated the temperature field. As a first step, we tested the sensitivity of the simulations to different simulation parameters of the wildfire models. As a second step, we ran computations of thermal plumes with no-wind and with no-canopy, for the first comparison to the plume theory. The influence of crown existence on the temperature field above the heat source, as well as on crown scorch and fire ignition conditions, was then investigated. As a third step, the effect of a wind to the plume was shown for the no-canopy and canopy cases. C1 [Konovalov, V.; Dupuy, J. -L.; Pimont, F.] INRA Ecol Forets Mediterraneennes UR 629 Site Agr, F-84914 Avignon, France. [Konovalov, V.] ICMM, Ural Branch RAS, Perm, Russia. [Morvan, D.] Univ Aix Marseille 2, Marseille, France. [Linn, R. R.] Los Alamos Natl Lab, EES2, Los Alamos, NM USA. RP Konovalov, V (reprint author), INRA Ecol Forets Mediterraneennes UR 629 Site Agr, F-84914 Avignon, France. NR 7 TC 0 Z9 0 U1 1 U2 2 PU WIT PRESS PI SOUTHAMPTON PA ASHURST LODGE, SOUTHAMPTON SO40 7AA, ASHURST, ENGLAND SN 1746-4064 BN 978-1-84564-187-0 J9 WIT TRANS MODEL SIM PY 2009 VL 48 BP 593 EP 601 DI 10.2495/CMEM090531 PG 9 WC Computer Science, Interdisciplinary Applications; Engineering, Multidisciplinary; Mathematics, Applied SC Computer Science; Engineering; Mathematics GA BKU28 UT WOS:000269259300053 ER PT B AU Maiti, A AF Maiti, Amitesh BE Ryan, MA Shevade, AV Taylor, CJ Homer, ML Blanco, M Stetter, JR TI Electromechanical and Chemical Sensing at the Nanoscale: DFT and Transport Modeling SO COMPUTATIONAL METHODS FOR SENSOR MATERIAL SELECTION SE Integrated Analytical Systems LA English DT Article; Book Chapter ID CARBON NANOTUBE TRANSISTORS; ELECTRONIC-STRUCTURE; ROOM-TEMPERATURE; GAS SENSORS; THIN-FILMS; NO2; MOLECULES; ADSORPTION; OXIDE; NANOWIRES AB Of the many nanoelectronic applications proposed for near to medium-term commercial deployment, sensors based on carbon nanotubes (CNT) and metal-oxide nanowires are receiving significant attention from researchers. Such devices typically operate on the basis of the changes of electrical response characteristics of the active component (CNT or nanowire) when subjected to an externally applied mechanical stress or the adsorption of a chemical or bio-molecule. Practical development of such technologies can greatly benefit from quantum chemical modeling based on density functional theory (DFT), and from electronic transport modeling based on non-equilibrium Green's function (NEGF). DFT can compute useful quantities like possible bond-rearrangements, binding energy, charge transfer, and changes to the electronic structure, while NEGF can predict changes in electronic transport behavior and contact resistance. Effects of surrounding medium and intrinsic structural defects can also be taken into account. In this work we review some recent DFT and transport investigations on (1) CNT-based nano-electromechanical sensors (NEMS) and (2) gas-sensing properties of CNTs and metal-oxide nanowires. We also briefly discuss our current understanding of CNT-metal contacts which, depending upon the metal, the deposition technique, and the masking method can have a significant effect on device performance. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Maiti, A (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. EM amaiti@llnl.gov NR 113 TC 0 Z9 0 U1 1 U2 3 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES BN 978-0-387-73714-0 J9 INTEGR ANAL SYST PY 2009 BP 47 EP 69 DI 10.1007/978-0-387-73715-7_2 PG 23 WC Nanoscience & Nanotechnology; Instruments & Instrumentation; Remote Sensing SC Science & Technology - Other Topics; Instruments & Instrumentation; Remote Sensing GA BLW29 UT WOS:000271213000002 ER PT B AU Hay, BP Bryantsev, VS AF Hay, Benjamin P. Bryantsev, Vyacheslav S. BE Ryan, MA Shevade, AV Taylor, CJ Homer, ML Blanco, M Stetter, JR TI Computer-Aided Design of Organic Host Architectures for Selective Chemosensors SO COMPUTATIONAL METHODS FOR SENSOR MATERIAL SELECTION SE Integrated Analytical Systems LA English DT Article; Book Chapter ID DE-NOVO DESIGN; NITROBENZENE-WATER INTERFACE; DENOVO DRUG DESIGN; ANION RECOGNITION; BINDING-AFFINITY; CHEMICAL SENSORS; CANDIDATE STRUCTURES; RECEPTOR CHEMISTRY; GUEST COMPLEXATION; FLUORESCENT-PROBES AB Selective organic hosts provide the foundation for the development of many types of sensors. The deliberate design of host molecules with predetermined selectivity, however, remains a challenge in supramolecular chemistry. To address this issue, we have developed a de novo structure-based design approach for the unbiased construction of complementary host architectures. This chapter summarizes recent progress including improvements on a computer software program, HostDesigner, specifically tailored to discover host architectures for small guest molecules. HostDesigner is capable of generating and evaluating millions of candidate structures in minutes on a desktop personal computer, allowing a user to rapidly identify three-dimensional architectures that are structurally organized for binding a targeted guest species. The efficacy of this computational methodology is illustrated with a search for cation hosts containing aliphatic ether oxygen groups and anion hosts containing urea groups. C1 [Hay, Benjamin P.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Bryantsev, Vyacheslav S.] CALTECH, Div Chem & Chem Engn, Pasadena, CA 91125 USA. RP Hay, BP (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM haybp@ornl.gov NR 91 TC 4 Z9 4 U1 0 U2 1 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES BN 978-0-387-73714-0 J9 INTEGR ANAL SYST PY 2009 BP 113 EP 133 DI 10.1007/978-0-387-73715-7_5 PG 21 WC Nanoscience & Nanotechnology; Instruments & Instrumentation; Remote Sensing SC Science & Technology - Other Topics; Instruments & Instrumentation; Remote Sensing GA BLW29 UT WOS:000271213000005 ER PT B AU Grate, JW Abraham, MH Wise, BM AF Grate, Jay W. Abraham, Michael H. Wise, Barry M. BE Ryan, MA Shevade, AV Taylor, CJ Homer, ML Blanco, M Stetter, JR TI Design and Information Content of Arrays of Sorption-Based Vapor Sensors Using Solubility Interactions and Linear Solvation Energy Relationships SO COMPUTATIONAL METHODS FOR SENSOR MATERIAL SELECTION SE Integrated Analytical Systems LA English DT Article; Book Chapter ID ACOUSTIC-WAVE SENSORS; BOND ACIDIC POLYMERS; CHEMICAL SENSORS; PARTITION-COEFFICIENTS; PIEZOELECTRIC CRYSTAL; PATTERN-RECOGNITION; ORGANIC VAPORS; CHEMICAPACITIVE MICROSENSORS; MULTICOMPONENT ANALYSIS; SORBENT COATINGS AB The sorption of vapors by the selective polymeric layer on a chemical vapor sensor is described in detail and dissected into fundamental solubility interactions. The sorption process is modeled in terms of solvation parameters for vapor solubility properties and linear solvation energy relationships. The latter relationships model the log of the partition coefficient as the sum of terms related to specific types of interactions. The approaches are particularly applicable to the design and understanding of acoustic wave chemical vapor sensors such as those based on surface acoustic wave devices. It is shown how an understanding of solubility interactions informs the selection of polymers to obtain chemical diversity in sensor arrays and obtain the maximum amount of chemical information. The inherent dimensionality of the array data, as analyzed by principal components analysis, is consistent with this formulation. Furthermore, it is shown how new chemometric methods have been developed to extract the chemical information from array responses in terms of solvation parameters serving as descriptors of the detected vapor. C1 [Grate, Jay W.] Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99353 USA. [Abraham, Michael H.] UCL, Dept Chem, London 1H 0AJ, England. [Wise, Barry M.] Eigenvector Res Inc, Wenatchee, WA 98801 USA. RP Grate, JW (reprint author), Pacific NW Natl Lab, Div Chem & Mat Sci, POB 999, Richland, WA 99353 USA. EM jwgrate@pnl.gov NR 93 TC 2 Z9 2 U1 1 U2 1 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES BN 978-0-387-73714-0 J9 INTEGR ANAL SYST PY 2009 BP 193 EP 218 DI 10.1007/978-0-387-73715-7_9 PG 26 WC Nanoscience & Nanotechnology; Instruments & Instrumentation; Remote Sensing SC Science & Technology - Other Topics; Instruments & Instrumentation; Remote Sensing GA BLW29 UT WOS:000271213000009 ER PT S AU Srinivas, S Yang, M Jackson, KA Jellinek, J AF Srinivas, S. Yang, M. Jackson, K. A. Jellinek, J. BE Maroulis, G Simos, TE TI Atomistic Description of Electric Dipole Polarizability in SinHm SO COMPUTATIONAL METHODS IN SCIENCE AND ENGINEERING, VOL 1: ADVANCES IN COMPUTATIONAL SCIENCE SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Conference on Computational Methods in Science and Engineering CY SEP 25-30, 2008 CL Hersonissos, GREECE SP European Soc Computat Methods Sci & Engn, Minist Natl Educ & Religious Affairs DE Cluster; polarizability; electric dipole moment; size-dependence of properties ID SEMICONDUCTOR CLUSTERS; SILICON CLUSTERS; SI CLUSTERS; DENSITY; OPTIMIZATION; HIRSHFELD; CHARGES; MOMENTS AB A scheme for decomposing the polarizability of an atomic cluster into atomistic components is applied to a series of hydrogenated silicon clusters, SinHm, from SiH4 to Si35H36. The method is based on the Hirshfeld or "stockholder" approach for defining atomic charge densities. The stockholder densities are used to compute atomic dipole moments and polarizabilities. These are then readily broken into dipolar and charge-transfer parts. The results for the SinHm clusters show significant variations in the total atomic polarizability and in the relative importance of dipolar and charge-transfer components for atoms in different locations within the clusters, particularly for atoms near the cluster center in comparison with those near the surface. The charge-transfer contribution to the total cluster polarizability is found to increase in importance with overall cluster size. Removing H atoms from a cluster to create dangling bonds on surface Si atoms increases the atomic polarizability of these atoms, as well as the overall polarizability, of the clusters. C1 [Srinivas, S.] Northwestern Univ, Dept Phys, Chicago, IL 60625 USA. [Yang, M.] Sichuan Univ, Sch West China, West China Med Sch, Inst Nanobiomed Technol & Membrane,State Key Lab, Chengdu 610041, Peoples R China. [Jackson, K. A.] Cent Michigan Univ, Dept Phys, Mt Pleasant, MI 48859 USA. [Jellinek, J.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Srinivas, S (reprint author), Northwestern Univ, Dept Phys, Chicago, IL 60625 USA. RI Yang, Mingli/E-9983-2012 OI Yang, Mingli/0000-0001-8590-8840 FU Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences, U. S. Department of Energy [DE-FGO2-03ER15489, DE-AC-02-06CH11357]; National Science Foundation [PHY-0619407]; State of Michigan FX This work was supported by the Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences, U. S. Department of Energy under grant number DE-FGO2-03ER15489 (KAJ, SS, and MY) and under contract number DE-AC-02-06CH11357 (JJ), by the National Science Foundation Grant PHY-0619407 (KAJ), and by Research Excellence Funds from the State of Michigan (KAJ). NR 35 TC 1 Z9 1 U1 0 U2 3 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0644-5 J9 AIP CONF PROC PY 2009 VL 1108 BP 71 EP + PG 2 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic; Physics, Applied SC Computer Science; Engineering; Physics GA BJE47 UT WOS:000265172400006 ER PT S AU Wang, LW AF Wang, Lin-Wang BE Simos, TE Maroulis, G TI Linear Scaling Electronic Structure Calculations for Nanosystems with Tens of Thousands of Atoms SO COMPUTATIONAL METHODS IN SCIENCE AND ENGINEERING, VOL 2: ADVANCES IN COMPUTATIONAL SCIENCE SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Conference on Computational Methods in Science and Engineering CY SEP 25-30, 2008 CL Hersonissos, GREECE SP European Soc Computat Methods Sci & Engn, Minist Natl Educ & Religious Affairs DE nanostructure; quantum dot; quantum wire; electronic structure ID QUANTUM DOTS; ENERGY AB Understanding the electronic structures in nanosystems is one of the main tasks in nanoscience. In the past decade, we have developed a systematic approach to calculate the electronic structures of nanosystems containing tens of thousands of atoms. These include the nonself-consistent charge patching method, as well as the self-consistent linear scaling three dimensional fragment method. All these methods have ab initio accuracy in their eigen state energies and total energies. In this short review, we will discuss these methods and also present two examples using these methods to study the electronic properties of the nanosystems. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Computat Res Div, Berkeley, CA 94720 USA. RP Wang, LW (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Computat Res Div, Berkeley, CA 94720 USA. NR 12 TC 0 Z9 0 U1 0 U2 3 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0685-8 J9 AIP CONF PROC PY 2009 VL 1148 BP 677 EP 680 PG 4 WC Computer Science, Interdisciplinary Applications; Mathematics, Applied SC Computer Science; Mathematics GA BPZ24 UT WOS:000280417500162 ER PT S AU Archibald, RK Evans, KJ Drake, JB White, JB AF Archibald, R. K. Evans, K. J. Drake, J. B. White, J. B., III BE Allen, G Seidel, E Dongarra, J Nabrzyski, J VanAlbada, GD Sloot, PMA TI Time Acceleration Methods for Advection on the Cubed Sphere SO COMPUTATIONAL SCIENCE - ICCS 2009 SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 9th International Conference on Computational Science CY MAY 25-27, 2009 CL Baton Rouge, LA SP Louisiana Univ, Ctr Computat & Technol, Univ Amsterdam, Univ Tennessee ID SHALLOW-WATER EQUATIONS; APPROXIMATIONS; BASES AB Climate simulation will not grow to the ultrascale without new algorithms to overcome the scalability barriers blocking existing implementations. Until recently, climate simulations concentrated oil the question of whether the climate is changing. The emphasis is now shifting to impact assessments, mitigation and adaptation strategies, and regional details. Such studies will require significant increases in spatial resolution and model complexity while maintaining adequate throughput. The barrier to progress is the resulting decrease in time step without increasing single-thread performance. In this paper we demonstrate how to overcome this time barrier for the first standard test defined for the shallow-water equations oil a sphere. This paper explains how combining a multiwavelet discontinuous Galerkin method with exact linear part time-evolution schemes can overcome the time barrier for advection equations oil a sphere. The discontinuous Galerkin method is a high-order method that is conservative, flexible, and scalable. The addition of multiwavelets to discontinuous Galerkin provides a hierarchical scale structure that; can be exploited to improve computational efficiency in both the spatial and temporal dimensions. Exact linear part time-evolution schemes are explicit schemes that remain stable for implicit-size time steps. C1 [Archibald, R. K.; Evans, K. J.; Drake, J. B.; White, J. B., III] Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Archibald, RK (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN USA. RI Archibald, Rick/I-6238-2016; OI Archibald, Rick/0000-0002-4538-9780; Evans, Katherine/0000-0001-8174-6450 NR 15 TC 2 Z9 2 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-642-01972-2 J9 LECT NOTES COMPUT SC PY 2009 VL 5545 BP 253 EP 262 PN II PG 10 WC Computer Science, Theory & Methods SC Computer Science GA BJV96 UT WOS:000267286400030 ER PT S AU Taylor, MA St Cyr, A Fournier, A AF Taylor, M. A. St Cyr, A. Fournier, A. BE Allen, G Seidel, E Dongarra, J Nabrzyski, J VanAlbada, GD Sloot, PMA TI A Non-oscillatory Advection Operator for the Compatible Spectral Element Method SO COMPUTATIONAL SCIENCE - ICCS 2009 SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 9th International Conference on Computational Science CY MAY 25-27, 2009 CL Baton Rouge, LA SP Louisiana Univ, Ctr Computat & Technol, Univ Amsterdam, Univ Tennessee ID SHALLOW-WATER EQUATIONS; DYNAMICAL CORE; MODEL; RESOLUTION AB The spectral element method is well known as ail efficient way to obtain high-order numerical solutions Oil unstructured finite element grids. However, the oscillatory nature of the method's advection operator makes it unsuitable for many applications. One popular way to address this problem is with high-order discontinuous-Galerkin methods. Ill this work, ail alternative solution which fits within the continuous Galerkin formulation of the spectral element method is proposed. Making use of a compatible formulation of spectral elements, a natural way to implement conservative non-oscillatory reconstructions for spectral element advection is shown. The reconstructions are local to the element and thus preserve the parallel efficiency of the method. Numerical results from a low-order quasi-monotone reconstruction and a higher-order sign-preserving reconstruction are presented. C1 [Taylor, M. A.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. [St Cyr, A.; Fournier, A.] Natl Ctr Atmospher Res, Boulder, CO 80303 USA. RP Taylor, MA (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM mataylo@sandia.gov RI Fournier, Aime/J-6366-2015 OI Fournier, Aime/0000-0002-5872-8307 FU DOE/BER [FWP06-13194, DE-FG02-07ER64464]; NSF [CMG-0530845] FX Supported in part by DOE/BER FWP06-13194.; Supported in part by DOE DE-FG02-07ER64464 and NSF CMG-0530845.; NCAR is operated by the University Corporation for Atmospheric Research and sponsored by the National Science Foundation. NR 18 TC 9 Z9 9 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-642-01972-2 J9 LECT NOTES COMPUT SC PY 2009 VL 5545 BP 273 EP + PN II PG 3 WC Computer Science, Theory & Methods SC Computer Science GA BJV96 UT WOS:000267286400032 ER PT S AU Constantinescu, E Sandu, A AF Constantinescu, Emil Sandu, Adrian BE Allen, G Seidel, E Dongarra, J Nabrzyski, J VanAlbada, GD Sloot, PMA TI Explicit Time Stepping Methods with High Stage Order and Monotonicity Properties SO COMPUTATIONAL SCIENCE - ICCS 2009 SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 9th International Conference on Computational Science CY MAY 25-27, 2009 CL Baton Rouge, LA SP Louisiana Univ, Ctr Computat & Technol, Univ Amsterdam, Univ Tennessee ID RUNGE-KUTTA; DISCRETIZATION METHODS; STABILITY; SCHEMES; CONVERGENCE; EQUATIONS AB This paper introduces a three and a four order explicit; time stepping method. These methods have high stage, order and favorable monotonicity properties. The proposed methods are based oil multistage-multistep (MM) schemes that belong to the broader class of general linear methods, which are generalizations of both Runge-Kutta and linear multistep methods. Methods with high stage order alleviate the order reduction occurring in explicit multistage methods due to non-homogeneous boundary/source terms. Furthermore, the MM schemes presented in this paper can be expressed as convex combinations of Euler steps. Consequently, they have the same monotonicity properties as the forward Ruler method. This property makes these schemes well suited for problems with discontinuous solutions. C1 [Constantinescu, Emil] Argonne Natl Lab, Div Math & Comp Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. [Sandu, Adrian] Virginia Tech, Dept Comp Sci, Blacksburg, VA 24061 USA. RP Constantinescu, E (reprint author), Argonne Natl Lab, Div Math & Comp Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. FU Office of Advanced Scientific Computing Research, Office of Science, U.S. Department of Energy [DE-AC02- 06CH11357] FX This work was supported by the Office of Advanced Scientific Computing Research, Office of Science, U.S. Department of Energy, under Contract DE-AC02- 06CH11357. NR 15 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-642-01972-2 J9 LECT NOTES COMPUT SC PY 2009 VL 5545 BP 293 EP + PN II PG 2 WC Computer Science, Theory & Methods SC Computer Science GA BJV96 UT WOS:000267286400034 ER PT S AU Evans, KJ Rouson, DWI Salinger, AG Taylor, MA Weijer, W White, JB AF Evans, Katherine J. Rouson, Damian W. I. Salinger, Andrew G. Taylor, Mark A. Weijer, Wilbert White, James B., III BE Allen, G Seidel, E Dongarra, J Nabrzyski, J VanAlbada, GD Sloot, PMA TI A Scalable and Adaptable Solution Framework within Components of the Community Climate System Model SO COMPUTATIONAL SCIENCE - ICCS 2009 SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 9th International Conference on Computational Science CY MAY 25-27, 2009 CL Baton Rouge, LA SP Louisiana Univ, Ctr Computat & Technol, Univ Amsterdam, Univ Tennessee ID SHALLOW-WATER EQUATIONS AB A framework for a fully implicit solution method is implemented into (1) tire High Order Methods Modeling Environment (HOMME), which is a spectral element dynamical core option in the Community Atmosphere Model (CAM), and (2) the Parallel Ocean Program (POP) model of the global ocean. Both of these models are components of the Community Climate System Model (CCSM). HOMME is a, development version of CAM and provides a scalable alternative when run with air explicit time integrator. However, it suffers the typical time step size limit to maintain stability. POP uses a time-split semi-implicit time integrator that allows larger time steps but less accuracy when used with scale interacting physics. A fully implicit solution framework allows larger time step sizes and additional climate analysis capability such as model steady state and spin-rip efficiency gains without a loss in scalability. This framework is implemented into HOMME and POP using a new Fortran interface to the Trilinos solver library, ForTrilinos, which leverages several new capabilities in the current Fortran standard to maximize robustness and speed. The ForTrilinos solution template was also designed for interchangeability; other solution methods and capability improvements can be more easily implemented into the models as they are developed without severely interacting with the code structure. The utility of this approach is illustrated with a test case for each of the climate component models. C1 [Evans, Katherine J.; White, James B., III] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Rouson, Damian W. I.] Sandia Natl Labs, Livermore, CA 94551 USA. [Salinger, Andrew G.; Taylor, Mark A.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Weijer, Wilbert] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Evans, KJ (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RI Weijer, Wilbert/A-7909-2010; Dongarra, Jack/E-3987-2014; OI Evans, Katherine/0000-0001-8174-6450 FU Office of Science within the U.S. Department of Energy (DOE-OS) through a combination of the Oak Ridge National Laboratory Laboratory Directed Research and Development program; the Climate Change Prediction Program (Weijer); TOPS II project within SciDAC; Office of Advanced Scientific Computing Research in DOE-OS; National Science Foundation funded National Center for Atmospheric Research and the POP developers; National Center for Computational Sciences at Oak Ridge National Laboratory; DOE-OS [DE-AC05-00OR22725] FX The authors would like to thank Mike Heroux and Roger Pawlowski for their enabling contributions. This project was funded by the Office of Science within the U.S. Department of Energy (DOE-OS) through a combination of the Oak Ridge National Laboratory Laboratory Directed Research and Development program (Evans andWhite), the Climate Change Prediction Program (Weijer), and the TOPS II project within SciDAC (Rouson and Salinger), a Division of the Office of Advanced Scientific Computing Research in DOE-OS.We also acknowledge the Core Development Group of the HOMME project, which is part of the National Science Foundation funded National Center for Atmospheric Research and the POP developers. This research used resources of the National Center for Computational Sciences at Oak Ridge National Laboratory, which is supported by DOE-OS under Contract DE-AC05-00OR22725. NR 18 TC 11 Z9 11 U1 0 U2 8 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-642-01972-2 J9 LECT NOTES COMPUT SC PY 2009 VL 5545 BP 332 EP + PN II PG 2 WC Computer Science, Theory & Methods SC Computer Science GA BJV96 UT WOS:000267286400038 ER PT S AU Xue, Y Hoffman, FM Liu, DS AF Xue, Yong Hoffman, Forrest M. Liu, Dingsheng BE Allen, G Seidel, E Dongarra, J Nabrzyski, J VanAlbada, GD Sloot, PMA TI GeoComputation 2009 SO COMPUTATIONAL SCIENCE - ICCS 2009 SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 9th International Conference on Computational Science CY MAY 25-27, 2009 CL Baton Rouge, LA SP Louisiana Univ, Ctr Computat & Technol, Univ Amsterdam, Univ Tennessee C1 [Xue, Yong] Chinese Acad Sci, State Key Lab Remote Sensing Sci, Jointly Sponsored Inst Remote Sensing Applicat, POB 9718, Beijing 100101, Peoples R China. [Xue, Yong] London Metropolitan Univ, Dept Comp, London N7 8DB, England. [Hoffman, Forrest M.] Oak Ridge Natl Lab, Computat Earth Sci Grp, Oak Ridge, TN 37831 USA. [Liu, Dingsheng] Chinese Acad Sci, Ctr Earth Observ & Digital Earth, Beijing, Peoples R China. RP Xue, Y (reprint author), Chinese Acad Sci, State Key Lab Remote Sensing Sci, Jointly Sponsored Inst Remote Sensing Applicat, POB 9718, Beijing 100101, Peoples R China. EM y.xue@londonmet.ac.uk; forrest@climatemodeling.org; dsliu@ceode.ac.cn RI Xue, Yong/G-3066-2012; Hoffman, Forrest/B-8667-2012 OI Hoffman, Forrest/0000-0001-5802-4134 NR 0 TC 2 Z9 2 U1 0 U2 1 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-642-01972-2 J9 LECT NOTES COMPUT SC PY 2009 VL 5545 BP 345 EP + PN II PG 2 WC Computer Science, Theory & Methods SC Computer Science GA BJV96 UT WOS:000267286400039 ER PT S AU Vatsavi, RR AF Vatsavi, Ranga Raju BE Allen, G Seidel, E Dongarra, J Nabrzyski, J VanAlbada, GD Sloot, PMA TI Incremental Clustering Algorithm for Earth Science Data Mining SO COMPUTATIONAL SCIENCE - ICCS 2009 SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 9th International Conference on Computational Science CY MAY 25-27, 2009 CL Baton Rouge, LA SP Louisiana Univ, Ctr Computat & Technol, Univ Amsterdam, Univ Tennessee DE Clustering; EM; GMM; Remote Sensing; K-means; G-means AB Remote sensing data plays a key role in understanding the complex geographic phenomena. Clustering is a useful tool in discovering interesting patterns and structures within the multivariate geospatial data. One of the key issues in clustering is the specification of appropriate number of clusters, which is not obvious in many practical situations. In this paper we provide all extension of G-means algorithm which automatically learns the number of clusters present in the data and avoids over estimation of the number of clusters. Experimental evaluation on simulated and remotely sensed image data, shows the effectiveness of our algorithm. C1 Oak Ridge Natl Lab, Computat Sci & Engn Div, Oak Ridge, TN 37831 USA. RP Vatsavi, RR (reprint author), Oak Ridge Natl Lab, Computat Sci & Engn Div, Oak Ridge, TN 37831 USA. EM vatsavairr@ornl.gov NR 13 TC 1 Z9 1 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-642-01972-2 J9 LECT NOTES COMPUT SC PY 2009 VL 5545 BP 375 EP 384 PG 10 WC Computer Science, Theory & Methods SC Computer Science GA BJV96 UT WOS:000267286400043 ER PT S AU Johnson, CR Glatter, M Kendall, W Huang, J Hoffman, F AF Johnson, C. Ryan Glatter, Markus Kendall, Wesley Huang, Jian Hoffman, Forrest BE Allen, G Seidel, E Dongarra, J Nabrzyski, J VanAlbada, GD Sloot, PMA TI Querying for Feature Extraction and Visualization in Climate Modeling SO COMPUTATIONAL SCIENCE - ICCS 2009 SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 9th International Conference on Computational Science CY MAY 25-27, 2009 CL Baton Rouge, LA SP Louisiana Univ, Ctr Computat & Technol, Univ Amsterdam, Univ Tennessee AB The ultimate goal of data visualization is to clearly portray features relevant to the problem being studied. This goal can be realized only if users can effectively communicate to the visualization software what features are of interest. To this end, we describe in this paper two query languages used by scientists to locate and visually emphasize relevant data in both space and time. These languages offer descriptive feedback and interactive refinement of query parameters, which are essential in any framework Supporting queries of arbitrary complexity. We apply these languages to extract features of interest from climate model results and describe how they support rapid feature extraction from large datasets. C1 [Johnson, C. Ryan; Glatter, Markus; Kendall, Wesley; Huang, Jian] Univ Tennessee, Knoxville, TN 37919 USA. [Hoffman, Forrest] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Johnson, CR (reprint author), Univ Tennessee, Knoxville, TN 37919 USA. RI Hoffman, Forrest/B-8667-2012 OI Hoffman, Forrest/0000-0001-5802-4134 NR 8 TC 1 Z9 1 U1 0 U2 4 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-642-01972-2 J9 LECT NOTES COMPUT SC PY 2009 VL 5545 BP 416 EP + PN II PG 2 WC Computer Science, Theory & Methods SC Computer Science GA BJV96 UT WOS:000267286400047 ER PT S AU Jagode, H Dongarra, J Alam, S Vetter, J Spear, W Malony, AD AF Jagode, Heike Dongarra, Jack Alam, Sadaf Vetter, Jeffrey Spear, Wyatt Malony, Allen D. BE Allen, G Seidel, E Dongarra, J Nabrzyski, J VanAlbada, GD Sloot, PMA TI A Holistic Approach for Performance Measurement and Analysis for Petascale Applications SO COMPUTATIONAL SCIENCE - ICCS 2009 SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 9th International Conference on Computational Science CY MAY 25-27, 2009 CL Baton Rouge, LA SP Louisiana Univ, Ctr Computat & Technol, Univ Amsterdam, Univ Tennessee DE Performance Analysis; Performance Tools; Profiling; Tracing; Trace files; Petascale Applications; Petascale Systems AB Contemporary high-end Terascale and Petascale systems are composed of hundreds of thousands of commodity multi-core processors interconnected with high-speed custom networks. Performance characteristics of applications executing on these systems are a function of system hardware and software as well as workload parameters. Therefore, it has become increasingly challenging to measure, analyze and project performance using a single tool on these systems. In order to address these issues, we propose a methodology for performance measurement and analysis that is aware of applications and the underlying system hierarchies. On the application level, we measure cost distribution and runtime dependent values for different components of the underlying programming model. On the system front, we measure and analyze information gathered for unique system features, particularly shared components in the multi-core processors. We demonstrate our approach using a Petascale combustion application called S3D on two high-end Teraflops systems, Cray XT4 and IBM Blue Gene/P, using a combination of hardware performance monitoring, profiling and tracing tools. C1 [Jagode, Heike; Dongarra, Jack] Univ Tennessee, Knoxville, TN 37996 USA. [Jagode, Heike; Dongarra, Jack; Alam, Sadaf; Vetter, Jeffrey] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Spear, Wyatt; Malony, Allen D.] Univ Oregon, Eugene, OR 97403 USA. RP Jagode, H (reprint author), Univ Tennessee, Knoxville, TN 37996 USA. EM jagode@eecs.utk.edu; dongarra@eecs.utk.edu; alamsr@ornl.gov; vetter@ornl.gov; wspear@cs.uoregon.edu; malony@cs.uoregon.edu FU Office of Mathematical, Information; Computational Sciences of the Office of Science (OoS); U.S. Department of Energy (DoE) [DE-AC05-00OR22725]; University of Oregon DoE [DE-FG02-07ER25826]; Office of Science of the U.S. Department of Energy [AC02-06CH11357] FX The authors would like to thank the PAPI and Vampir team for their great support. Furthermore, Philip Roth (ORNL) is greatly acknowledged for providing a working S3D version for the BG/P architecture.; This research was sponsored by the Office of Mathematical, Information, and Computational Sciences of the Office of Science (OoS), U.S. Department of Energy (DoE), under Contract No. DE-AC05-00OR22725 with UT-Battelle, LLC as well as by the University of Oregon DoE grant from the OoS under Contract No. DE-FG02-07ER25826. This work used resources of the National Center for Computational Sciences at Oak Ridge National Laboratory, which is supported by the Office of Science of the Department of Energy under Contract DE-AC05-00OR22725 and of the Argonne Leadership Computing Facility at Argonne National Laboratory, which is supported by the Office of Science of the U.S. Department of Energy under Contract AC02-06CH11357. These resources were made available via the Performance Evaluation and Analysis ConsortiumEnd Station, a Department of Energy INCITE project. NR 9 TC 6 Z9 6 U1 0 U2 7 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-642-01972-2 J9 LECT NOTES COMPUT SC PY 2009 VL 5545 BP 686 EP + PN II PG 2 WC Computer Science, Theory & Methods SC Computer Science GA BJV96 UT WOS:000267286400078 ER PT S AU Seshagiri, L Sosonkina, M Zhang, Z AF Seshagiri, Lakshminarasimhan Sosonkina, Masha Zhang, Zhao BE Allen, G Nabrzyski, J Seidel, E Dongarra, J VanAlbada, GD Sloot, PMA TI Electronic Structure Calculations and Adaptation Scheme in Multi-core Computing Environments SO COMPUTATIONAL SCIENCE - ICCS 2009, PART I SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 9th International Conference on Computational Science CY MAY 25-27, 2009 CL Baton Rouge, LA SP Louisiana Univ, Ctr Computat & Technol, Univ Amsterdam, Univ Tennessee DE Multi-Core; GAMESS; Niagara; Adaptation; NICAN AB Multi-core processing environments have become the norm in the generic computing environment and are being considered for adding all extra dimension to the execution of any application. The T2 Niagara processor is a very unique environment where it consists of eight cores having a capability of running eight, threads simultaneously in each of the cores. Applications like General Atomic and Molecular Electronic Structure (GAMESS), used for ab-initio molecular quantum chemistry calculations, call be good indicators of the performance of such machines and would be a guideline for both hardware designers and application programmers. In this paper we try to benchmark the GAMESS performance on a T2 Niagara processor For a couple of molecules. We also show the suitability of using a middleware based adaptation algorithm oil GAMESS oil such a multi-core environment. C1 [Seshagiri, Lakshminarasimhan; Sosonkina, Masha] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. [Zhang, Zhao] Iowa State Univ, Dept Elect & Comp Engn, Ames, IA 50011 USA. RP Seshagiri, L (reprint author), Iowa State Univ, Ames Lab, Ames, IA 50011 USA. EM sln@scl.ameslab.gov; masha@scl.ameslab.gov; zzhang@iastate.edu NR 15 TC 1 Z9 1 U1 0 U2 1 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-642-01969-2 J9 LECT NOTES COMPUT SC PY 2009 VL 5544 BP 3 EP + PN I PG 3 WC Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA BKB40 UT WOS:000267676600001 ER PT S AU Laghave, N Sosonkina, M Maris, P Vary, JP AF Laghave, Nikhil Sosonkina, Masha Maris, Pieter Vary, James P. BE Allen, G Nabrzyski, J Seidel, E Dongarra, J VanAlbada, GD Sloot, PMA TI Benefits of Parallel I/O in Ab Initio Nuclear Physics Calculations SO COMPUTATIONAL SCIENCE - ICCS 2009, PART I SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 9th International Conference on Computational Science CY MAY 25-27, 2009 CL Baton Rouge, LA SP Louisiana Univ, Ctr Computat & Technol, Univ Amsterdam, Univ Tennessee DE Parallel I/O; HDF5; MFDn AB Many modern scientific applications rely on highly parallel calculations, which scale to 10's of thousands processors. However, most applications do not concentrate on parallelizing input/output operations. In particular, sequential I/O has been identified as a bottleneck for the highly scalable MFDn (Many Fermion Dynamics for nuclear structure) code performing ab initio nuclear structure calculations. In this paper, we develop interfaces and parallel I/O procedures to use a well-known parallel I/O library in MFDn. As a result, we gain efficient input/output of large datasets along with their portability and ease of use in the downstream processing. C1 [Laghave, Nikhil; Sosonkina, Masha] Iowa State Univ, Ames Lab, DOE, Ames, IA 50011 USA. [Maris, Pieter; Vary, James P.] Iowa State Univ, Dept Phys, Ames, IA 50011 USA. RP Laghave, N (reprint author), Iowa State Univ, Ames Lab, DOE, Ames, IA 50011 USA. EM nikhill@scl.ameslab.gov; masha@scl.ameslab.gov; pmaris@iastate.edu; jvary@iastate.edu FU Iowa State University [DEAC02-07CH11358]; U.S. Department of Energy (UNEDF SciDAC-2) [DE-FC02-07ER41457]; U.S. Department of Energy (Division of Nuclear Physics) [DEFG02-87ER40371]; NERSC FX The work was supported in part by Iowa State University under the contract DEAC02-07CH11358 with the U.S. Department of Energy, by the U.S. Department of Energy under the grants DE-FC02-07ER41457 (UNEDF SciDAC-2) and DEFG02-87ER40371 (Division of Nuclear Physics), and by NERSC. NR 8 TC 3 Z9 3 U1 0 U2 2 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-642-01969-2 J9 LECT NOTES COMPUT SC PY 2009 VL 5544 BP 84 EP + PN I PG 2 WC Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA BKB40 UT WOS:000267676600009 ER PT S AU Norris, B Hartono, A Jessup, E Siek, J AF Norris, Boyana Hartono, Albert Jessup, Elizabeth Siek, Jeremy BE Allen, G Nabrzyski, J Seidel, E Dongarra, J VanAlbada, GD Sloot, PMA TI Generating Empirically Optimized Composed Matrix Kernels from MATLAB Prototypes SO COMPUTATIONAL SCIENCE - ICCS 2009, PART I SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 9th International Conference on Computational Science CY MAY 25-27, 2009 CL Baton Rouge, LA SP Louisiana Univ, Ctr Computat & Technol, Univ Amsterdam, Univ Tennessee DE MATLAB; code generation; empirical performance timing AB The development of optimized codes is time-consuming and requires extensive architecture, compiler, and language expertise, therefore, computational scientists are often forced to choose between investing considerable time in timing code or accepting lower performance. In this paper, we describe the first steps toward a fully automated system for the optimization of the matrix algebra kernels that are a foundational part of many scientific applications. To generate highly optimized code from a high-level MATLAB prototype, we define a three-step approach. To begin, we have developed a, compiler that converts a MATLAB script into simple C code. We then use the polyhedral optimization system Pluto to optimize that code for coarse-grained parallelism and locality simultaneously. Finally, we annotate the resulting code with performance-timing directives and use the empirical performance-timing system Orio to generate many tuned versions of the same operation using different optimization techniques, such as loop unrolling and memory alignment. Orio performs art automated empirical search to select the best among the multiple optimized code variants. We discuss performance results on two architectures. C1 [Norris, Boyana] Argonne Natl Lab, Argonne, IL 60439 USA. [Hartono, Albert] Ohio State Univ, Columbus, OH 43210 USA. [Jessup, Elizabeth; Siek, Jeremy] Univ Colorado, Boulder, CO 80309 USA. RP Norris, B (reprint author), Argonne Natl Lab, Argonne, IL 60439 USA. EM norris@mcs.anl.gov; hartonoa@cse.ohio-state.edu; elizabeth.jessup@colorado.edu; jeremy.siek@colorado.edu FU Office of Advanced Scientific Computing Research, Office of Science, U.S. Dept. of Energy, [DE-AC02- 06CH11357]; National Science Foundation [CCF-0430646, CCF-830458] FX The work of this author was supported by the Office of Advanced Scientific Computing Research, Office of Science, U.S. Dept. of Energy, under Contract DE-AC02- 06CH11357. The work of this author was supported by the National Science Foundation under grants no. CCF-0430646 and CCF-830458. NR 20 TC 2 Z9 2 U1 0 U2 6 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-642-01969-2 J9 LECT NOTES COMPUT SC PY 2009 VL 5544 BP 248 EP + PN I PG 3 WC Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA BKB40 UT WOS:000267676600025 ER PT S AU Shontz, SM Howle, VE Hough, PD AF Shontz, S. M. Howle, V. E. Hough, P. D. BE Allen, G Nabrzyski, J Seidel, E Dongarra, J VanAlbada, GD Sloot, PMA TI Experience with Approximations in the Trust-Region Parallel Direct Search Algorithm SO COMPUTATIONAL SCIENCE - ICCS 2009, PART I SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 9th International Conference on Computational Science CY MAY 25-27, 2009 CL Baton Rouge, LA SP Louisiana Univ, Ctr Computat & Technol, Univ Amsterdam, Univ Tennessee DE approximation models; parallel optimization; nonlinear programming ID OPTIMIZATION; FRAMEWORK AB Recent years have seen growth in the number of algorithms designed to solve challenging simulation-based nonlinear optimization problems. One such algorithm is the Trust-Region Parallel Direct Search (TRPDS) method developed by Hough and Meza. In this paper, we take advantage of the theoretical properties of TRPDS to make use of approximation models ill order to reduce the computational cost; of simulation-based optimization. We describe the extension, which we call mTRPDS, and present the results of a case study for two earth penetrator design problems. Ill the case study, we conduct computational experiments with an array of approximations within the mTRPDS,PDS algorithm and compare the numerical results to the Original TRPDS algorithm and a trust-region method implemented using the speculative gradient; approach described by Byrd, Schnabel, and Shultz. The results suggest new ways to improve the algorithm. C1 [Shontz, S. M.] Penn State Univ, Dept Comp Sci & Engn, University Pk, PA 16802 USA. [Howle, V. E.] Texas Tech Univ, Dept Math & Stat, Lubbock, TX 79409 USA. [Hough, P. D.] Sandia Natl Labs, Adv Software Res & Dev Dept, Livermore, CA 94551 USA. RP Shontz, SM (reprint author), Penn State Univ, Dept Comp Sci & Engn, University Pk, PA 16802 USA. EM shontz@cse.psu.edu; victoria.howle@ttu.edu; pdhough@sandia.gov OI Shontz, Suzanne/0000-0002-4874-0812 NR 19 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-642-01969-2 J9 LECT NOTES COMPUT SC PY 2009 VL 5544 BP 501 EP + PN I PG 3 WC Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA BKB40 UT WOS:000267676600049 ER PT S AU Strout, MM Osheim, N Rostron, D Hovland, PD Pothen, A AF Strout, Michelle Mills Osheim, Nissa Rostron, Dave Hovland, Paul D. Pothen, Alex BE Allen, G Nabrzyski, J Seidel, E Dongarra, J VanAlbada, GD Sloot, PMA TI Evaluation of Hierarchical Mesh Reorderings SO COMPUTATIONAL SCIENCE - ICCS 2009, PART I SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 9th International Conference on Computational Science CY MAY 25-27, 2009 CL Baton Rouge, LA SP Louisiana Univ, Ctr Computat & Technol, Univ Amsterdam, Univ Tennessee ID MATRIX VECTOR MULTIPLICATION; PERFORMANCE AB Irregular and sparse scientific computing programs frequently experience performance losses due to inefficient rise of the memory system in most machines. Previous work has shown that, for a graph model, performing a partitioning and then reordering within each partition improves performance. More recent work has shown that reordering heuristics based on a hypergraph model result in better reorderings than those based on a graph model. This paper studies the effects of hierarchical reordering strategies within the hypergraph model. In our experiments, the reorderings are applied to the nodes and elements of tetrahedral meshes, which are inputs to a mesh optimization application. We show that, cache performance degrades over time with consecutive packing, but not with breadth-first ordering, and that hierarchical reorderings involving hypergraph partitioning followed by consecutive packing or breadth-first orderings in each partition improve overall execution time. C1 [Strout, Michelle Mills; Osheim, Nissa; Rostron, Dave] Colorado State Univ, Ft Collins, CO 80523 USA. [Hovland, Paul D.] Argonne Natl Lab, Argonne, IL 60439 USA. [Pothen, Alex] Purdue Univ, W Lafayette, IN 47907 USA. RP Strout, MM (reprint author), Colorado State Univ, Ft Collins, CO 80523 USA. OI Pothen, Alex/0000-0002-3421-3325 FU CSCAPES Institute funded through DOE's SciDAC progra [DE-AC02-06CH11357] FX This work was supported by the CSCAPES Institute (DE-AC02-06CH11357 at Argonne) funded through DOEs SciDAC program. NR 24 TC 1 Z9 1 U1 0 U2 2 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-642-01969-2 J9 LECT NOTES COMPUT SC PY 2009 VL 5544 BP 540 EP + PN I PG 3 WC Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA BKB40 UT WOS:000267676600053 ER PT S AU Lipnikov, K Moulton, D Svyatskiy, D AF Lipnikov, Konstantin Moulton, David Svyatskiy, Daniil BE Allen, G Nabrzyski, J Seidel, E Dongarra, J VanAlbada, GD Sloot, PMA TI A Multilevel Multiscale Mimetic (M(3)) Method for an Anisotropic Infiltration Problem SO COMPUTATIONAL SCIENCE - ICCS 2009, PART I SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 9th International Conference on Computational Science CY MAY 25-27, 2009 CL Baton Rouge, LA SP Louisiana Univ, Ctr Computat & Technol, Univ Amsterdam, Univ Tennessee DE multiscale; hierarchical; two-phase flow; heterogeneous porous media; infiltration ID FINITE-VOLUME METHOD; POROUS-MEDIA; ELLIPTIC PROBLEMS; SUBSURFACE FLOW; ELEMENT-METHOD; SIMULATION AB Modeling of multiphase flow and transport in highly heterogeneous porous media must capture a broad range of coupled spatial and temporal scales. Recently, a hierarchical approach dubbed the Multilevel Multiscale Mimetic (M(3)) method, was developed to simulate two-phase flow in porous media. The M(3) method is locally mass conserving at. all levels in its hierarchy, it; supports unstructured polygonal grids and full tensor permeabilities, and it, can achieve large coarsening factors. In this work we consider infiltration of water into a two-dimensional layered medium. The grid is aligned with the layers but not the coordinate axes. We demonstrate that; with an efficient temporal updating strategy for the coarsening parameters, fine-scale accuracy of prominent features in the flow is maintained by the M(3) method. C1 [Lipnikov, Konstantin; Moulton, David; Svyatskiy, Daniil] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Lipnikov, K (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM lipnikov@lanl.gov; moulton@lanl.gov; dasvyat@lanl.gov NR 16 TC 2 Z9 2 U1 0 U2 1 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-642-01969-2 J9 LECT NOTES COMPUT SC PY 2009 VL 5544 BP 685 EP 694 PG 10 WC Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA BKB40 UT WOS:000267676600068 ER PT S AU Larson, JW AF Larson, J. Walter BE Allen, G Nabrzyski, J Seidel, E Dongarra, J VanAlbada, GD Sloot, PMA TI Graphical Notation for Diagramming Coupled Systems SO COMPUTATIONAL SCIENCE - ICCS 2009, PART I SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 9th International Conference on Computational Science CY MAY 25-27, 2009 CL Baton Rouge, LA SP Louisiana Univ, Ctr Computat & Technol, Univ Amsterdam, Univ Tennessee ID MODEL AB Multiphysics and multiscale-or coupled-systems share one fundamental requirement: Construction of coupling mechanisms to implement complex data exchanges between a system's constituent models. I have created a, graphical schema for describing coupling workflows that is based on a theoretical framework for describing coupled systems. The schema combines an expanded set of traditional flowchart symbols with pictograms representing data states. The data pictograms include distributed mesh, field, and domain decomposition descriptors and spatiotemporal integration and accumulation registers. Communications pictograms include: blocking- and non-blocking point-to-point and M x N parallel data transfer; parallel data transposes; collective broadcast, scatter, gather, reduction and barrier operators. The transformation pictograms include: intergrid interpolation; spatiotemporal integral operators for accumulation of state and flux data, and weighted merging of output data from multiple source models for input to a destination model. I apply the schema to simple problems illustrating real situations in coupler design and implementation. C1 [Larson, J. Walter] Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. RP Larson, JW (reprint author), Argonne Natl Lab, Div Math & Comp Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM larson@mcs.anl.gov NR 9 TC 1 Z9 1 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-642-01969-2 J9 LECT NOTES COMPUT SC PY 2009 VL 5544 BP 745 EP 754 PG 10 WC Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA BKB40 UT WOS:000267676600074 ER PT J AU Kouzes, RT Anderson, GA Elbert, ST Gorton, I Gracio, DK AF Kouzes, Richard T. Anderson, Gordon A. Elbert, Stephen T. Gorton, Ian Gracio, Deborah K. TI THE CHANGING PARADIGM OF DATA-INTENSIVE COMPUTING SO COMPUTER LA English DT Article AB Through the development of new classes of software, algorithms, and hardware, data-intensive applications provide timely and meaningful analytical results in response to exponentially growing data complexity and associated analysis requirements. C1 [Kouzes, Richard T.; Anderson, Gordon A.; Elbert, Stephen T.; Gorton, Ian; Gracio, Deborah K.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Kouzes, RT (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM kouzes@pnl.gov; gordon.anderson@pnl.gov; stephen.elbert@pnl.gov; ian.gorton@pnl.gov; debbie.gracio@pnl.gov RI Gorton, Ian/A-8247-2009; Elbert, Stephen/F-9019-2016 OI Elbert, Stephen/0000-0003-2258-8901 NR 14 TC 36 Z9 39 U1 0 U2 4 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA SN 0018-9162 EI 1558-0814 J9 COMPUTER JI Computer PD JAN PY 2009 VL 42 IS 1 BP 26 EP 34 PG 9 WC Computer Science, Hardware & Architecture; Computer Science, Software Engineering SC Computer Science GA 394IA UT WOS:000262439200007 ER PT J AU Moaveni, B Conte, JP Hemez, FM AF Moaveni, Babak Conte, Joel P. Hemez, Francois M. TI Uncertainty and Sensitivity Analysis of Damage Identification Results Obtained Using Finite Element Model Updating SO COMPUTER-AIDED CIVIL AND INFRASTRUCTURE ENGINEERING LA English DT Article ID WAVELET NEURAL-NETWORK; HIGHRISE BUILDINGS; STRUCTURAL DAMAGE; RATES AB A full-scale seven-story reinforced concrete shear wall building structure was tested on the UCSD-NEES shake table in the period October 2005-January 2006. The shake table tests were designed so as to damage the building progressively through several historical seismic motions reproduced on the shake table. A sensitivity-based finite element (FE) model updating method was used to identify damage in the building. The estimation uncertainty in the damage identification results was observed to be significant, which motivated the authors to perform, through numerical simulation, an uncertainty analysis on a set of damage identification results. This study investigates systematically the performance of FE model updating for damage identification. The damaged structure is simulated numerically through a change in stiffness in selected regions of a FE model of the shear wall test structure. The uncertainty of the identified damage (location and extent) due to variability of five input factors is quantified through analysis-of-variance (ANOVA) and meta-modeling. These five input factors are: (1-3) level of uncertainty in the (identified) modal parameters of each of the first three longitudinal modes, (4) spatial density of measurements (number of sensors), and (5) mesh size in the FE model used in the FE model updating procedure (a type of modeling error). A full factorial design of experiments is considered for these five input factors. In addition to ANOVA and meta-modeling, this study investigates the one-at-a-time sensitivity analysis of the identified damage to the level of uncertainty in the identified modal parameters of the first three longitudinal modes. The results of this investigation demonstrate that the level of confidence in the damage identification results obtained through FE model updating, is a function of not only the level of uncertainty in the identified modal parameters, but also choices made in the design of experiments (e.g., spatial density of measurements) and modeling errors (e.g., mesh size). Therefore, the experiments can be designed so that the more influential input factors (to the total uncertainty/variability of the damage identification results) are set at optimum levels so as to yield more accurate damage identification results. C1 [Conte, Joel P.] Univ Calif San Diego, Dept Struct Engn, San Diego, CA 92103 USA. [Moaveni, Babak] Tufts Univ, Dept Civil & Environm Engn, Medford, MA 02155 USA. [Hemez, Francois M.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Conte, JP (reprint author), Univ Calif San Diego, Dept Struct Engn, San Diego, CA 92103 USA. EM jpconte@ucsd.edu RI Moaveni, Babak/E-9083-2011; OI Hemez, Francois/0000-0002-5319-4078 FU Lawrence Livermore National Laboratory; Englekirk Center Industry Advisory Board FX Partial supports of this research by Lawrence Livermore National Laboratory with Dr. David McCallen as Program Leader and by the Englekirk Center Industry Advisory Board are gratefully acknowledged. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the authors and do not necessarily reflect those of the sponsors. The first author also wants to acknowledge Mr. Dong Ju Choi of San Diego Supercomputer Center (SDSC) and Dr. Ronnie Hoogerwerf and Mr. Patrick Boyle of Interactive Supercomputing Corporation for their help in performing parallel computations using StarP on the "On Demand Cluster" of SDSC. NR 29 TC 59 Z9 59 U1 5 U2 34 PU WILEY-BLACKWELL PUBLISHING, INC PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1093-9687 J9 COMPUT-AIDED CIV INF JI Comput.-Aided Civil Infrastruct. Eng. PY 2009 VL 24 IS 5 BP 320 EP 334 DI 10.1111/j.1467-8667.2008.00589.x PG 15 WC Computer Science, Interdisciplinary Applications; Construction & Building Technology; Engineering, Civil; Transportation Science & Technology SC Computer Science; Construction & Building Technology; Engineering; Transportation GA 445DO UT WOS:000266030100002 ER PT J AU Ross, MR Sprague, MA Felippa, CA Park, KC AF Ross, Michael R. Sprague, Michael A. Felippa, Carlos A. Park, K. C. TI Treatment of acoustic fluid-structure interaction by localized Lagrange multipliers and comparison to alternative interface-coupling methods SO COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING LA English DT Article DE Fluid-structure interaction; Partitioned analysis; Reduced-order modeling; Non-matching meshes; Lagrange multipliers; Dynamic analysis; Seismic loading; Modal analysis; Cavitation ID ACTIVE SET STRATEGY; FINITE-ELEMENT; CAVITATION; DAMS; FORMULATION; SUBDOMAINS; CONTACT; TIME AB This paper is a sequel on the topic of localized Lagrange multipliers (LLM) for applications of fluid-structure interaction (FSI) between finite-element models of an acoustic fluid and an elastic structure. The prequel paper formulated the spatial-discretization methods. the LLM interface treatment, the time-marching partitioned analysis procedures, and the application to I D benchmark problems. Here, we expand on formulation aspects required for successful application to more realistic 2D and 3D problems. Additional topics include duality relations at the fluid-structure interface, partitioned vibration analysis, reduced-order modeling, handling Of Curved interface surfaces, and comparison of LLM with other coupling methods. Emphasis is given to non-matching fluid-structure meshes. We present benchmark examples that illustrate the benefits and drawbacks of competing interface treatments. Realistic application problems involving the seismic response of two existing dams are considered. These include 2D modal analyses of the Koyna gravity dam, transient-response analyses of that dam with and without reduced-order modeling, incorporation of nonlinear cavitation effects, and the 3D transient-response analysis of the Morrow Point arch dam. Published by Elsevier B.V. C1 [Ross, Michael R.] Sandia Natl Labs, Analyt Struct Dynam Dept, Albuquerque, NM 87185 USA. [Sprague, Michael A.] Univ Calif, Sch Nat Sci, Merced, CA 95344 USA. [Felippa, Carlos A.; Park, K. C.] Univ Colorado, Dept Aerosp Engn Sci, Boulder, CO 80309 USA. [Felippa, Carlos A.; Park, K. C.] Univ Colorado, Ctr Aerosp Struct, Boulder, CO 80309 USA. RP Ross, MR (reprint author), Sandia Natl Labs, Analyt Struct Dynam Dept, POB 5800,MS 0346, Albuquerque, NM 87185 USA. EM mross@sandia.gov RI park, k.c./E-8898-2010 FU National Science Foundation [CMS-0219422] FX This work was supported by the National Science Foundation under grant High-Fidelity Simulations for Heterogeneous Civil and Mechanical Systems, CMS-0219422. The work of the first author was part of his doctoral dissertation while at the Aerospace Engineering Sciences Department, University of Colorado at Boulder. The authors are grateful to Christophe Kassiotis of ENS Cachan-Paris for his assistance with the 1D cavitation validation. NR 41 TC 21 Z9 23 U1 2 U2 13 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0045-7825 EI 1879-2138 J9 COMPUT METHOD APPL M JI Comput. Meth. Appl. Mech. Eng. PY 2009 VL 198 IS 9-12 BP 986 EP 1005 DI 10.1016/j.cma.2008.11.006 PG 20 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications; Mechanics SC Engineering; Mathematics; Mechanics GA 411EF UT WOS:000263630200010 ER PT J AU Sviercoski, RF Popov, P Travis, BJ AF Sviercoski, R. F. Popov, P. Travis, B. J. TI Zeroth and first-order homogenized approximations to nonlinear diffusion through block inclusions by an analytical approach SO COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING LA English DT Article DE Effective coefficient; Nonlinear Darcy's law; Block permeability; First-order approximation; Error estimate ID HETEROGENEOUS POROUS-MEDIA; ANALYTICAL EFFECTIVE COEFFICIENT; 2-PHASE FLOW SIMULATIONS; EQUIVALENT PERMEABILITY; ELLIPTIC PROBLEMS; MODELS AB Approximate solutions to nonlinear diffusion systems are useful for many applications in computational science. When the heterogeneous nonlinear diffusion coefficient has high contrast values, an average solution given by upscaling the diffusion coefficient provides the average behavior of the fine-scale solution, which sometimes is infeasible to compute. This is also related to a problem that occurs during numerical simulations when it is necessary to coarsen meshes and an upscale coefficient is needed in order to build the data from the fine mesh to the coarse mesh. In this paper, we present a portable and computationally attractive procedure for obtaining not only the upscaled coefficient and the zeroth-order approximation of nonlinear diffusion systems, but also the first-order approximation which captures fine-scale features of the solution. These are possible by considering a correction to an approximate solution to the well known periodic cell-problem, obtained by a two-scale asymptotic expansion of the respective nonlinear diffusion equation. The correction allows one to obtain analytically the upscale diffusion coefficient, when the heterogeneous coefficient is periodic and rapidly oscillating describing inclusions in a main matrix. The approximate solutions provide a set of analytical basis functions used to construct the first-order approximation and also an estimate for the upper bound error implied in using the upscaled approximations. We demonstrate agreement with theoretical and published numerical results for the upscale coefficient, when heterogeneous coefficients are described by step-functions, as well as convergence properties of the approximations, corroborating with classical results from homogenization theory. Even though the results can be generalized, the emphasis is for conductivity functions of the form K(x, u(x)) = K(s)(x)k(r)(u(x)), widely used for simulating flows in reservoirs. Published by Elsevier B.V. C1 [Sviercoski, R. F.; Popov, P.] Texas A&M Univ, Dept Math, College Stn, TX 77840 USA. [Sviercoski, R. F.; Popov, P.] Texas A&M Univ, Inst Sci Computat, College Stn, TX 77840 USA. [Sviercoski, R. F.; Travis, B. J.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Sviercoski, RF (reprint author), Texas A&M Univ, Dept Math, College Stn, TX 77840 USA. EM rsviercoski@math.tamu.edu NR 30 TC 3 Z9 3 U1 1 U2 4 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0045-7825 J9 COMPUT METHOD APPL M JI Comput. Meth. Appl. Mech. Eng. PY 2009 VL 198 IS 30-32 BP 2260 EP 2271 DI 10.1016/j.cma.2009.02.020 PG 12 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications; Mechanics SC Engineering; Mathematics; Mechanics GA 456DL UT WOS:000266820000003 ER PT J AU Love, E Scovazzi, G AF Love, E. Scovazzi, G. TI On the angular momentum conservation and incremental objectivity properties of a predictor/multi-corrector method for Lagrangian shock hydrodynamics SO COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING LA English DT Article DE Angular momentum conservation; Incremental objectivity; Predictor/multi-corrector algorithm; Mid-point time integrator; Lagrangian shock hydrodynamics; Staggered formulation ID COMPUTATIONS AB This article presents an analysis of the global angular momentum conservation and objectivity properties for a predictor/multi-corrector scheme often used in shock hydrodynamics computations in combination with staggered spatial discretizations. As the number of iterations increases, the numerical solution of the predictor/multi-corrector algorithm converges to that of an implicit mid-point time integrator, which preserves global angular momentum and incremental objectivity. In the case of a finite number of iterations, the order of accuracy with which these quantities are preserved is always higher than the order of accuracy of the. method, and decays as Delta t(2i), where i is the iteration index. (C) 2009 Elsevier B.V. All rights reserved. C1 [Love, E.; Scovazzi, G.] Sandia Natl Labs, Computat Shock & Multiphys Dept 1431, Albuquerque, NM 87185 USA. RP Scovazzi, G (reprint author), Sandia Natl Labs, Computat Shock & Multiphys Dept 1431, POB 5800,MS 1319, Albuquerque, NM 87185 USA. EM gscovaz@sandia.gov FU Sandia National Laboratories FX The authors would like to thank, for very valuable discussions, Professor T. J. R. Hughes at the University of Texas in Austin, Dr. L. Margolin and Dr. M. Shashkov at Los Alamos National Laboratory, and Dr. W. J. Rider at Sandia National Laboratories. The authors would also like to thank Dr. R. Summers and Dr. S. Collis, at Sandia National Laboratories, for support and encouragement during the development of this research work. NR 11 TC 11 Z9 11 U1 0 U2 1 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0045-7825 J9 COMPUT METHOD APPL M JI Comput. Meth. Appl. Mech. Eng. PY 2009 VL 198 IS 41-44 BP 3207 EP 3213 DI 10.1016/j.cma.2009.06.002 PG 7 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications; Mechanics SC Engineering; Mathematics; Mechanics GA 505OB UT WOS:000270702300002 ER PT J AU Restrepo, JM Choksi, R Hyman, JM Jiang, Y AF Restrepo, J. M. Choksi, R. Hyman, J. M. Jiang, Y. TI Improving the damage accumulation in a biomechanical bone remodelling model SO COMPUTER METHODS IN BIOMECHANICS AND BIOMEDICAL ENGINEERING LA English DT Article DE bone; remodelling; damage accumulation; BMU; biomechanics; numerical ID CORTICAL BONE; FATIGUE DAMAGE; REPAIR; MICRODAMAGE; ADAPTATION; FRACTURE; VOLUME AB We extend, reformulate and analyse a phenomenological model for bone remodelling. The original macrobiomechanical model (MBM), proposed by Hazelwood et al. [J Biomech 2001; 34:299-308], couples a population equation for the cellular activities of the basic multicellular units (BMUs) in the bone and a rate equation to account for microdamage and repair. We propose to account for bone failure under severe overstressing by incorporating a Paris-like power-law damage accumulation term. The extended model agrees with the Hazelwood et al. predictions when the bone is under-stressed, and allows for suitably loaded bones to fail, in agreement with other MBM and experimental data regarding damage by fatigue. We numerically solve the extended model using a convergent algorithm and show that for unchanging loads, the stationary solution captures fully the model behaviour. We compute and analyse the stationary solutions. Our analysis helps guide additional extensions to this and other BMU activity based models. C1 [Restrepo, J. M.] Univ Arizona, Dept Math & Dept Phys, Tucson, AZ USA. [Choksi, R.] Simon Fraser Univ, Dept Math, Burnaby, BC, Canada. [Hyman, J. M.; Jiang, Y.] Alamos Natl Lab, Div Theoret, Los Alamos, NM USA. [Hyman, J. M.; Jiang, Y.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Restrepo, J. M.] Univ Arizona, Dept Math, Tucson, AZ 85721 USA. [Restrepo, J. M.] Univ Arizona, Dept Phys, Tucson, AZ 85721 USA. [Choksi, R.] Simon Fraser Univ, Dept Math, Burnaby, BC V5A 1S6, Canada. RP Jiang, Y (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM jiang@lanl.gov RI Choksi, Rustum/A-9985-2009; OI Restrepo, Juan/0000-0003-2609-2882 FU NSF [DMS-327617]; DOE [DE-FG02-02ER25533, DE-AC52-06NA25396]; NSERC Canada Discovery Grant FX The authors are grateful to Scott Hazelwood and Chris Jacobs for several comments and suggestions. This work was performed in part while JMR was a PIMS faculty visitor at Simon Fraser University and a visitor at Los Alamos National Laboratory. JMR was supported by NSF Grant DMS-327617 and DOE Grant DE-FG02-02ER25533. RC was supported by an NSERC Canada Discovery Grant. YJ and JMH were supported by the US Department of Energy under Contract No. DE-AC52-06NA25396. NR 17 TC 2 Z9 3 U1 0 U2 3 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1025-5842 J9 COMPUT METHOD BIOMEC JI Comput. Methods Biomech. Biomed. Eng. PY 2009 VL 12 IS 3 BP 341 EP 352 AR PII 906880724 DI 10.1080/10255840802609404 PG 12 WC Computer Science, Interdisciplinary Applications; Engineering, Biomedical SC Computer Science; Engineering GA 482TO UT WOS:000268911800009 PM 19089785 ER PT J AU Allanach, BC Balazs, C Belanger, G Bernhardt, M Boudjema, F Choudhury, D Desch, K Ellwanger, U Gambino, P Godbole, R Goto, T Guasch, J Guchait, M Hahn, T Heinemeyer, S Hugonie, C Hurth, T Kraml, S Kreiss, S Lykken, J Moortgat, F Moretti, S Penaranda, S Plehn, T Porod, W Pukhov, A Richardson, P Schumacher, M Silvestrini, L Skands, P Slavich, P Spira, M Weiglein, G Wienemann, P AF Allanach, B. C. Balazs, C. Belanger, G. Bernhardt, M. Boudjema, F. Choudhury, D. Desch, K. Ellwanger, U. Gambino, P. Godbole, R. Goto, T. Guasch, J. Guchait, M. Hahn, T. Heinemeyer, S. Hugonie, C. Hurth, T. Kraml, S. Kreiss, S. Lykken, J. Moortgat, F. Moretti, S. Penaranda, S. Plehn, T. Porod, W. Pukhov, A. Richardson, P. Schumacher, M. Silvestrini, L. Skands, P. Slavich, P. Spira, M. Weiglein, G. Wienemann, P. TI SUSY Les Houches Accord 2 SO COMPUTER PHYSICS COMMUNICATIONS LA English DT Article DE Beyond the Standard Model; MSSM; NMSSM; Flavour violation; CP violation; R-parity violation ID CALCULATING SUPERSYMMETRIC SPECTRA; VIOLATING SUPERSYMMETRY; E(+)E(-) COLLIDERS; STANDARD MODEL; CP VIOLATION; FORTRAN CODE; PROGRAM; MSSM; DECAYS; PHENOMENOLOGY AB The Supersymmetry Les Houches Accord (SLHA) provides a universal set of conventions for conveying spectral and decay information for supersymmetry, analysis problems in high energy physics. Here, we propose extensions of the conventions of the first SLHA to include various generalisations: the minimal supersymmetric standard model with violation of CP, R-parity, and flavour, as well as the simplest next-to-minimal model. (C) 2008 Elsevier B.V. All rights reserved. C1 [Skands, P.] CERN, PH TH, Dept Phys, Theory Unit, CH-1211 Geneva 23, Switzerland. [Allanach, B. C.] Univ Cambridge, CMS, DAMTP, Cambridge CB3 0WA, England. [Balazs, C.] Monash Univ, Sch Phys, Clayton, Vic 3800, Australia. [Belanger, G.] CNRS, LAPTH, UMR 5108, F-74941 Annecy Le Vieux, France. [Bernhardt, M.; Desch, K.; Wienemann, P.] Univ Bonn, Inst Phys, D-53115 Bonn, Germany. [Choudhury, D.] Harish Chandra Res Inst, Allahabad 211019, Uttar Pradesh, India. [Ellwanger, U.; Moretti, S.] Univ Paris 11, Phys Theor Lab, F-91405 Orsay, France. [Gambino, P.] Univ Turin, I-10125 Turin, Italy. [Gambino, P.] Ist Nazl Fis Nucl, Sez Torino, I-10125 Turin, Italy. [Godbole, R.] Indian Inst Sci, Ctr Theoret Studies, Bangalore 560012, Karnataka, India. [Goto, T.] KEK, IPNS, Theory Grp, Tsukuba, Ibaraki 3050801, Japan. [Guasch, J.] Univ Barcelona, Dept Fis Fonamental, E-08028 Barcelona, Spain. [Guchait, M.] Tata Inst Fundamental Res, Bombay 400005, Maharashtra, India. [Hahn, T.] Max Planck Inst, Werner Heisenberg Inst, D-80805 Munich, Germany. [Heinemeyer, S.] IFCA CSIC UC, Santander 39005, Spain. [Hugonie, C.] Univ Montpellier 2, LPTA, F-34095 Montpellier 5, France. [Hurth, T.] Stanford Univ, SLAC, Stanford, CA 94309 USA. [Kraml, S.] UJF Grenoble 1, CNRS IN2P3, LPSC, F-38026 Grenoble, France. [Kreiss, S.] Univ Edinburgh, Sch Phys, Edinburgh EH9 3JZ, Midlothian, Scotland. [Lykken, J.; Skands, P.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Moortgat, F.] ETH, CH-8093 Zurich, Switzerland. [Moretti, S.] Univ Southampton, Sch Phys & Astron, Southampton S017 1BJ, Hants, England. [Penaranda, S.] Univ Zaragoza, Dept Fis Teor, E-50009 Zaragoza, Spain. [Porod, W.] Univ Wurzburg, Inst Theoret Phys & Astrophys, D-97074 Wurzburg, Germany. [Pukhov, A.] Moscow MV Lomonosov State Univ, Skobeltsyn Inst Nucl Phys, Moscow 119991, Russia. [Richardson, P.; Weiglein, G.] Univ Durham, Inst Particle Phys Phenomenol, Ogden Ctr Fundamental Phys, Durham DH1 3LE, England. [Schumacher, M.] Univ Gottingen, Inst Theoret Phys, D-37077 Gottingen, Germany. [Silvestrini, L.] Univ Roma La Sapienza, Dipt Fis G Marconi, I-00185 Rome, Italy. [Spira, M.] Paul Scherrer Inst, CH-5232 Villigen, Switzerland. RP Skands, P (reprint author), CERN, PH TH, Dept Phys, Theory Unit, CH-1211 Geneva 23, Switzerland. EM skands@fnal.gov RI Guasch, Jaume/C-5040-2014; OI Guasch, Jaume/0000-0001-9641-5355; Allanach, Benjamin/0000-0003-4635-6830; Silvestrini, Luca/0000-0002-2253-4164; Skands, Peter/0000-0003-0024-3822; Gambino, Paolo/0000-0002-7433-4914 FU The Royal Society (London, UK); STFC; Fermi Research Alliance, LLC [DE-AC02-07CH11359]; United States Department of Energy; Spanish MCyT Ramon y Cajal; German Ministry of Education and Research (BMBF) [05HT6WWA]; Ministry of Education, Culture, Sports, Science and Technology, Japan [16081211]; MIUR [2004021808-009]; Swiss Bundesamt fur Bildung and Wissenschaft; GDRI-ACPP of CNRS [RFBR-08-02-00856-a]; Russian Foundation; European Community's Marie-Curie Research Training Network [MRTN-CT-2006-035505, MRTN-CT-2006-035606] FX This work has been partially supported by STFC and by Fermi Research Alliance, LLC, under Contract No. DE-AC02-07CH11359 with the United States Department of Energy. S.P. is supported by a Spanish MCyT Ramon y Cajal contract. W.P is supported by the German Ministry of Education and Research (BMBF) under contract 05HT6WWA. The work of TG is supported in part by the Grant-in-Aid for Science Research, Ministry of Education, Culture, Sports, Science and Technology, Japan, No. 16081211. P.G. is supported by MIUR under contract 2004021808-009. The work of M.S. is supported in part by the Swiss Bundesamt fur Bildung and Wissenschaft. The work of A.P was supported in part by GDRI-ACPP of CNRS and by grant RFBR-08-02-00856-a of the Russian Foundation for Basic Research. J.G., PG., T. Hahn, S.H., S.P, and WP are supported in part by the European Community's Marie-Curie Research Training Network under contract MRTN-CT-2006-035505 'Tools and Precision Calculations for Physics Discoveries at Colliders' and P.S. is supported by contract MRTN-CT-2006-035606 'MCnet'. NR 54 TC 184 Z9 185 U1 3 U2 8 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0010-4655 J9 COMPUT PHYS COMMUN JI Comput. Phys. Commun. PD JAN 1 PY 2009 VL 180 IS 1 BP 8 EP 25 DI 10.1016/j.cpc.2008.08.004 PG 18 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 389BN UT WOS:000262065100002 ER PT S AU Abraham, FF AF Abraham, F. F. BE Landau, DP Lewis, SP Schuttler, HB TI Crack Motion Revisited SO COMPUTER SIMULATION STUDIES IN CONDENSED-MATTER PHYSICS XIX SE Springer Proceedings in Physics LA English DT Proceedings Paper CT 19th Workshop on Recent Developments in Computer Simulation Studies in Condensed Matter Physics CY FEB 20-24, 2006 CL Univ Georgia, Athens, GA HO Univ Georgia C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Abraham, FF (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. NR 2 TC 0 Z9 0 U1 0 U2 1 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0930-8989 BN 978-3-540-85624-5 J9 SPRINGER PROC PHYS PY 2009 VL 123 BP 23 EP 25 PG 3 WC Computer Science, Information Systems; Physics, Condensed Matter SC Computer Science; Physics GA BIY27 UT WOS:000263680700004 ER PT J AU Loss, L Bebis, G Nicolescu, M Skurikhin, A AF Loss, Leandro Bebis, George Nicolescu, Mircea Skurikhin, Alexei TI An iterative multi-scale tensor voting scheme for perceptual grouping of natural shapes in cluttered backgrounds SO COMPUTER VISION AND IMAGE UNDERSTANDING LA English DT Article DE Segmentation; Boundary detection; Grouping; Object detection; Tensor voting ID EPIPOLAR GEOMETRY ESTIMATION; INFERENCE; SEGMENTATION; ORGANIZATION; CURVE; 3D AB Grouping processes, which "organize" a given data by eliminating the irrelevant items and sorting the rest into groups, each corresponding to a particular object, can provide reliable pre-processed information to higher level computer vision functions, such as object detection and recognition. in this paper, we consider the problem of grouping oriented segments in highly cluttered images. In this context, we have developed a general and powerful method based on an iterative, multiscale tensor voting approach. Segments are represented as second-order tensors and communicate with each other through a voting scheme that incorporates the Gestalt principles Of Visual perception. The key idea of our approach is removing background segments conservatively on an iterative fashion, using multi-scale analysis, and re-voting on the retained segments. We have performed extensive experiments to evaluate the strengths and weaknesses Of Our approach using both synthetic and real images from publicly available datasets including the Williams and Thornber's fruit-texture dataset [L. Williams, Fruit and texture images. Available from: , 2008 (last viewed in July 2008)] and the Berkeley segmentation dataset [C.F.P. Arbelaez, D. Martin, The berkeley segmentation dataset and benchmark. Available from: , 2008 (last viewed in July 2008)]. Our results and comparisons indicate that the proposed method improves segmentation results considerably, especially under severe background clutter. in particular, we show that using the iterative multiscale tensor voting approach to post-process the posterior probability map, produced by segmentation methods, improves boundary detection results in 84% of the gray-scale test images in the Berkeley segmentation benchmark. (C) 2008 Elsevier Inc. All rights reserved. C1 [Loss, Leandro; Bebis, George; Nicolescu, Mircea] Univ Nevada, Dept Comp Sci & Engn, Comp Vis Lab, Reno, NV 89557 USA. [Skurikhin, Alexei] Los Alamos Natl Lab, Space & Remote Sensing Grp, MS D436, Los Alamos, NM 87545 USA. RP Bebis, G (reprint author), Univ Nevada, Dept Comp Sci & Engn, Comp Vis Lab, 171 Reno, Reno, NV 89557 USA. EM loss@cse.unr.edu; bebis@cse.unr.edu; mircea@cse.unr.edu; alexei@lanl.gov OI Skurikhin, Alexei/0000-0001-5606-4933 NR 43 TC 16 Z9 18 U1 0 U2 6 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 1077-3142 J9 COMPUT VIS IMAGE UND JI Comput. Vis. Image Underst. PD JAN PY 2009 VL 113 IS 1 BP 126 EP 149 DI 10.1016/j.cviu.2008.07.011 PG 24 WC Computer Science, Artificial Intelligence; Engineering, Electrical & Electronic SC Computer Science; Engineering GA 384YA UT WOS:000261778900010 ER PT J AU Deiterding, R AF Deiterding, Ralf TI A parallel adaptive method for simulating shock-induced combustion with detailed chemical kinetics in complex domains SO COMPUTERS & STRUCTURES LA English DT Article; Proceedings Paper CT 5th MIT Conference on Computational Fluid and Solid Mechanics CY JUN 17-19, 2009 CL MIT, Cambridge, MA HO MIT DE Detonation; Riemann solver; Mesh adaptation; Parallelisation ID HYPERBOLIC CONSERVATION-LAWS; WAVE-PROPAGATION ALGORITHMS; MESH REFINEMENT; DIFFERENTIAL-EQUATIONS; GASEOUS DETONATIONS; DYNAMICS; FLOWS; SCHEMES; SYSTEMS; MODEL AB An adaptive finite volume approach is presented to accurately simulate shock-induced combustion phenomena in gases, particularly detonation waves. The method uses a Cartesian mesh that is dynamically adapted to embedded geometries and flow features by using regular refinement patches. The discretisation is a reliable linearised Riemann solver for thermally perfect gas mixtures: detailed kinetics are considered in an operator splitting approach. Besides easily reproducible ignition problems, the capabilities of the method and its parallel implementation are quantified and demonstrated for fully resolved triple point structure investigations of Chapman-Jouguet detonations in low-pressure hydrogen-oxygen-argon mixtures in two and three space dimensions. Published by Elsevier Ltd. C1 Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. RP Deiterding, R (reprint author), Oak Ridge Natl Lab, Div Math & Comp Sci, POB 2008,MS-6367, Oak Ridge, TN 37831 USA. EM deiterdingr@ornl.gov RI Deiterding, Ralf/A-3394-2009 OI Deiterding, Ralf/0000-0003-4776-8183 NR 56 TC 33 Z9 36 U1 2 U2 11 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0045-7949 EI 1879-2243 J9 COMPUT STRUCT JI Comput. Struct. PY 2009 VL 87 IS 11-12 SI SI BP 769 EP 783 DI 10.1016/j.compstruc.2008.11.007 PG 15 WC Computer Science, Interdisciplinary Applications; Engineering, Civil SC Computer Science; Engineering GA 451ER UT WOS:000266454000017 ER PT B AU Wellman, DM Bovaird, CC Mattigod, SV Parker, KE Clayton, LN Powers, L Wood, MI AF Wellman, Dawn M. Bovaird, Chase C. Mattigod, Shas V. Parker, Kent E. Clayton, Libby N. Powers, Laura Wood, Marcus I. BE Sentowski, JT TI CEMENTITIOUS WASTEFORMS FOR IMMOBILIZATION OF LOW-ACTIVITY RADIOACTIVE WASTES SO CONCRETE MATERIALS: PROPERTIES, PERFORMANCE AND APPLICATIONS SE Materials Science and Technologies LA English DT Article; Book Chapter ID INORGANIC CONSTITUENTS; CARBONATION; RHENIUM; RELEASE; CONCRETE; STORAGE; MATRIX AB Solidification of low-activity wastes with cementitious materials is a widely accepted technique that contains and isolates waste from the hydrologic environment. The radionuclides (129)I, (75)Se, (99)Tc, and (238)U are identified as long-term dose contributors. The anionic nature of these radionuclides in aqueous solutions allows them to readily leach into the Subsurface environment. Any failure of concrete encasement may result in water intrusion and consequent mobilization of radionuclides from the waste packages via mass flow and/or diffusion into the surrounding Subsurface environment. In order to assess the long-term performance of waste grouts for encasement of radionuclides, the diffusion of radionuclide species must be measured when contacted with vadose zone porewater or groundwater. A series of sediment-concrete half-cell diffusion experiments were conducted under unsaturated conditions (4%, 7%, and 15% by weight moisture content) to quantify the diffusion of radionuclides from surrounding subsurface sediment into concrete wasteforms. The data from this investigation provides valuable information for understanding the speciation, behavior, and fate of radionuclides immobilized within concrete wasteforms under vadose zone conditions. Compilation of this data with previous data quantifying the diffusion of radionuclides from concrete wasteforms into the Surrounding subsurface environment will allow quantification of the complete diffusion profile and predictive Simulation of the long-term performance of concrete wasteforms and the fate of contaminants immobilized in cementitious waste forms. C1 [Wellman, Dawn M.; Bovaird, Chase C.; Mattigod, Shas V.; Parker, Kent E.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Clayton, Libby N.] BP Explorat Co Ltd, Anchorage, AK USA. [Powers, Laura] Wiss Janney Elstner & Associates Inc, Northbrook, IL USA. [Wood, Marcus I.] CH2M HILL Plateau Remediat Co, Richland, WA USA. RP Wellman, DM (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. NR 37 TC 0 Z9 0 U1 0 U2 0 PU NOVA SCIENCE PUBLISHERS, INC PI HAUPPAUGE PA 400 OSER AVE, STE 1600, HAUPPAUGE, NY 11788-3635 USA BN 978-1-60741-250-2 J9 MATER SCI TECHNOL PY 2009 BP 283 EP 326 PG 44 WC Materials Science, Multidisciplinary SC Materials Science GA BLV44 UT WOS:000271165800005 ER PT J AU Yu, R Haas, S Roscilde, T AF Yu, R. Haas, S. Roscilde, T. TI Revealing novel quantum phases in quantum antiferromagnets on random lattices SO CONDENSED MATTER PHYSICS LA English DT Article DE Heisenberg antiferromagnets; quantum disorder; geometric randomness; percolation; Bose glass ID BOSE-EINSTEIN CONDENSATION; HEISENBERG-ANTIFERROMAGNET; RANDOM IMPURITIES; LADDER; TRANSITIONS; SYSTEMS AB Quantum magnets represent an ideal playground for the controlled realization of novel quantum phases and of quantum phase transitions. The Hamiltonian of the system can be indeed manipulated by applying a magnetic field or pressure on the sample. When doping the system with non-magnetic impurities, novel inhomogeneous phases emerge from the interplay between geometric randomness and quantum fluctuations. In this paper we review our recent work on quantum phase transitions and novel quantum phases realized in disordered quantum magnets. The system inhomogeneity is found to strongly affect phase transitions by changing their universality class, giving the transition a novel, quantum percolative nature. Such transitions connect conventionally ordered phases to unconventional, quantum disordered ones - quantum Griffiths phases, magnetic Bose glass phases - exhibiting gapless spectra associated with low-energy localized excitations. C1 [Yu, R.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Yu, R.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Haas, S.] Univ So Calif, Dept Phys & Astron, Los Angeles, CA 90089 USA. [Roscilde, T.] Ecole Normale Super Lyon, Phys Lab, F-69003 Lyon, France. RP Yu, R (reprint author), Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. RI YU, RONG/C-1506-2012; Yu, Rong/K-5854-2012; Yu, Rong/H-3355-2016 FU DOE [DE-FG02-06ER46319] FX We thank Omid Nohadani for useful discussion. This work was supported by DOE through grant No. DE-FG02-06ER46319. The numerical computations were carried out on the University of Southern California high-performance computer cluster. NR 37 TC 0 Z9 0 U1 1 U2 8 PU INST CONDENSED MATTER PHYSICS NATL ACAD SCIENCES UKRAINE PI LVIV PA 1 SVIENTSITSKII STR, LVIV, 79011, UKRAINE SN 1607-324X J9 CONDENS MATTER PHYS JI Condens. Matter Phys. PY 2009 VL 12 IS 3 BP 519 EP 530 PG 12 WC Physics, Condensed Matter SC Physics GA 505OH UT WOS:000270703000017 ER PT S AU Schlueter, JA AF Schlueter, John A. BE Fourmigue, M Ouahab, L TI Tetrathiafulvalene-Based Conductors Containing Organometallic Components SO CONDUCTING AND MAGNETIC ORGANOMETALLIC MOLECULAR MATERIALS SE Topics in Organometallic Chemistry LA English DT Article; Book Chapter DE Cation-radical salts; Molecular conductors; Organic superconductors; Organometallic anions; Tetrakis(trifluoromethyl)metallates; Tetrathiafulvalene ID RAY CRYSTAL-STRUCTURE; QUASI-2-DIMENSIONAL ORGANIC SUPERCONDUCTORS; INFRARED OPTICAL-PROPERTIES; CHARGE-TRANSFER COMPLEXES; ELECTRON-DONOR MOLECULE; RICH DITHIOLATE LIGAND; CATION-RADICAL SALTS; STRUCTURAL GENEALOGY; T-C; TRANSITION-TEMPERATURE AB Hundreds of cation radical salts containing tetrathiafulvalene (TTF) and its derivatives have been prepared and characterized over the past 50 years. After superconductivity was discovered in salts containing bis(ethylenedithio)tetrathialfulvalene (BEDT-TTF), a tremendous international effort was undertaken to prepare cation radical salts containing nearly every imaginable type of anion in a search for new superconducting materials. Surprisingly, only a relatively small number of these salts contained organometallic anions. The use of tetrakis(trifluoromethyl)metallate anions as charge compensating components in BEDT-TTF salts resulted in the discovery of a diverse family of molecular superconductors. More recently, organometallic anions have been utilized as a means to introduce multiple properties into a single material. Halophenylene, metallocarborane and metallocene-type anions have been utilized as components of cation radical salts. Several covalent derivatives of the TTF molecule have also been reported that incorporate organometallic moieties. Due to the diverse nature of organometallic anions and contemporary interest in coupling redox active species to the TTF moiety, it is likely that this field will exhibit significant growth in the years ahead. C1 Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Schlueter, JA (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM JASchlueter@anl.gov NR 107 TC 8 Z9 8 U1 3 U2 5 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 1436-6002 BN 978-3-642-00407-0 J9 TOP ORGANOMETAL CHEM JI Top. Organomet. Chem. PY 2009 VL 27 BP 1 EP 33 DI 10.1007/978-3-642-00408-7_1 PG 33 WC Chemistry, Organic; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA BKO07 UT WOS:000268742900001 ER PT S AU Miller, WO AF Miller, Wayne O. BE Bejan, A Lorente, S Miguel, A Reis, AH TI Developing Constructal Theory as a Tool for Global Security and Sustainability SO CONSTRUCTAL HUMAN DYNAMICS, SECURITY AND SUSTAINABILITY SE Nato Science for Peace and Security Series E-Human and Societal Dynamics LA English DT Proceedings Paper CT NATO Advanced Research Workshop on Constructal Human Dynamics, Security and Sustainability CY MAY 20-23, 2008 CL Univ Evora, Evora, PORTUGAL SP NATO HO Univ Evora DE Constructal theory; global security; sustainability; systems; network; abstraction; coupling; analysis; optimization; evolution; finance; diplomacy; resources; borders; information; transportation; emergency response AB Constructal theory may become a powerful tool for solving problems of global security and sustainability. However there are three challenges that must be met for this to occur. First, constructal theory must become known and trusted by the various communities that work on global problems. Second, the practitioners of constructal theory must develop a compelling portfolio of successful examples that highlight value and applicability to global problems. Third, constructal theory should be augmented with additional theoretical tools that will, in total, create a forward predictive capability that can improve sub-optimal existing systems and create new systems as needed to tackle the most complex global problems. Examples are included that illustrate the classes of problems for which constructal theory may be successfully applied. C1 [Miller, Wayne O.] Lawrence Livermore Natl Lab, Livermore, CA USA. NR 7 TC 0 Z9 0 U1 0 U2 0 PU IOS PRESS PI AMSTERDAM PA NIEUWE HEMWEG 6B, 1013 BG AMSTERDAM, NETHERLANDS SN 1879-8268 BN 978-1-60750-398-9; 978-1-58603-959-2 J9 NATO SCI PEACE SEC PY 2009 VL 50 BP 49 EP 60 DI 10.3233/978-1-58603-959-2-49 PG 12 WC Environmental Studies; Social Sciences, Interdisciplinary SC Environmental Sciences & Ecology; Social Sciences - Other Topics GA BB2SS UT WOS:000342282400004 ER PT J AU Milonni, PW AF Milonni, P. W. TI 'Take a photon' (1965) by OR Frisch SO CONTEMPORARY PHYSICS LA English DT Editorial Material C1 [Milonni, P. W.] Alamos Natl Lab, Los Alamos, NM USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Milonni, PW (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. EM pwm@lanl.gov NR 0 TC 0 Z9 0 U1 0 U2 2 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0010-7514 J9 CONTEMP PHYS JI Contemp. Phys. PY 2009 VL 50 IS 1 BP 57 EP 57 AR PII 909257789 DI 10.1080/00107510802703157 PG 1 WC Physics, Multidisciplinary SC Physics GA 415HX UT WOS:000263926000008 ER PT J AU Milonni, PW AF Milonni, P. W. TI 'Nothing's plenty. The vacuum in modern quantum field theory' (1985) by IJR Aitchison SO CONTEMPORARY PHYSICS LA English DT Editorial Material C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Milonni, PW (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. EM pwm@lanl.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0010-7514 J9 CONTEMP PHYS JI Contemp. Phys. PY 2009 VL 50 IS 1 BP 259 EP 259 AR PII 909256819 DI 10.1080/00107510802703017 PG 1 WC Physics, Multidisciplinary SC Physics GA 415HX UT WOS:000263926000026 ER PT J AU Milonni, PW AF Milonni, P. W. TI 'Negative refraction' (2004) by JB Pendry SO CONTEMPORARY PHYSICS LA English DT Editorial Material C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Milonni, PW (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. EM pwm@lanl.gov NR 0 TC 0 Z9 0 U1 0 U2 2 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0010-7514 J9 CONTEMP PHYS JI Contemp. Phys. PY 2009 VL 50 IS 1 BP 361 EP 361 AR PII 909253585 DI 10.1080/00107510802703009 PG 1 WC Physics, Multidisciplinary SC Physics GA 415HX UT WOS:000263926000032 ER PT J AU Roberts, DC AF Roberts, David C. TI When superfluids are a drag SO CONTEMPORARY PHYSICS LA English DT Review DE superfluids; superfluidity; drag force; quantum fluctuations; dissipationless flow; Bose-Einstein condensation ID BOSE-EINSTEIN CONDENSATE; CRITICAL VELOCITY; LIGHT-SCATTERING; HELIUM; GAS; LIQUID-HE-4; BREAKDOWN; FLOW AB The article considers the dramatic phenomenon of seemingly frictionless flow of slow-moving superfluids. Specifically the question of whether an object in a superfluid flow experiences any drag force is addressed. A brief account is given of the history of this problem and it is argued that recent advances in ultracold atomic physics can shed much new light on this problem. The article presents the commonly held notion that sufficiently slow-moving superfluids can flow without drag and also discusses research suggesting that scattering quantum fluctuations might cause drag in a superfluid moving at any speed. C1 Los Alamos Natl Lab, Theoret Div & Ctr Nonlinear Studies, Los Alamos, NM USA. RP Roberts, DC (reprint author), Los Alamos Natl Lab, Theoret Div & Ctr Nonlinear Studies, Los Alamos, NM USA. EM dcr@lanl.gov NR 42 TC 2 Z9 2 U1 1 U2 3 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0010-7514 EI 1366-5812 J9 CONTEMP PHYS JI Contemp. Phys. PY 2009 VL 50 IS 3 BP 453 EP 461 AR PII 911216692 DI 10.1080/00107510902770254 PG 9 WC Physics, Multidisciplinary SC Physics GA 446DF UT WOS:000266099900002 ER PT J AU Chalmin, E Farges, F Brown, G AF Chalmin, E. Farges, F. Brown, G. E., Jr. TI A pre-edge analysis of Mn K-edge XANES spectra to help determine the speciation of manganese in minerals and glasses SO CONTRIBUTIONS TO MINERALOGY AND PETROLOGY LA English DT Article DE Manganese; Valence; Symmetry; Mineral; Glass; XANES pre-edge ID X-RAY-ABSORPTION; HIGH-TEMPERATURE DECOMPOSITION; OXYGEN-EVOLVING COMPLEX; CRYSTAL-CHEMISTRY; FINE-STRUCTURE; SILICATE-GLASSES; OXIDATION-STATE; RICH BIRNESSITE; HIGH-RESOLUTION; STRUCTURAL CHEMISTRY AB High-resolution manganese K-edge X-ray absorption near edge structure spectra were collected on a set of 40 Mn-bearing minerals. The pre-edge feature information (position, area) was investigated to extract as much as possible quantitative valence and symmetry information for manganese in various "test" and "unknown" minerals and glasses. The samples present a range of manganese symmetry environments (tetrahedral, square planar, octahedral, and cubic) and valences (II to VII). The extraction of the pre-edge information is based on a previous multiple scattering and multiplet calculations for model compounds. Using the method described in this study, a robust estimation of the manganese valence could be obtained from the pre-edge region at 5% accuracy level. This method applied to 20 "test" compounds (such as hausmannite and rancieite) and to 15 "unknown" compounds (such as axinite and birnessite) provides a quantitative estimate of the average valence of manganese in complex minerals and silicate glasses. C1 [Chalmin, E.] European Synchrotron Radiat Facil, F-38043 Grenoble, France. [Farges, F.] Museum Natl Hist Nat, Unite Mineral & Petrol, F-75231 Paris, France. [Farges, F.] CNRS, UMR 7160, F-75231 Paris, France. [Farges, F.; Brown, G. E., Jr.] Stanford Univ, Dept Geol & Environm Sci, Stanford, CA 94305 USA. [Brown, G. E., Jr.] SLAC, Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. RP Chalmin, E (reprint author), European Synchrotron Radiat Facil, BP 220, F-38043 Grenoble, France. EM chalmin@esrf.fr NR 78 TC 43 Z9 43 U1 3 U2 60 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0010-7999 J9 CONTRIB MINERAL PETR JI Contrib. Mineral. Petrol. PD JAN PY 2009 VL 157 IS 1 BP 111 EP 126 DI 10.1007/s00410-008-0323-z PG 16 WC Geochemistry & Geophysics; Mineralogy SC Geochemistry & Geophysics; Mineralogy GA 371MY UT WOS:000260836600007 ER PT S AU Lin, QS Corbett, JD AF Lin, Qisheng Corbett, John D. BE Wu, XT TI A Chemical Approach to the Discovery of Quasicrystals and Their Approximant Crystals SO CONTROLLED ASSEMBLY AND MODIFICATION OF INORGANIC SYSTEMS SE Structure and Bonding LA English DT Review; Book Chapter DE Approximant crystals; Electronic tuning; Intermetallics; Pseudogap; Quasicrystals ID 2/1 RATIONAL APPROXIMANT; HYPOELECTRONIC INDIUM; ICOSAHEDRAL PHASE; BUILDING-BLOCKS; METALLIC PHASE; CUBIC-CRYSTALS; X-RAY; CLUSTERS; SYSTEM; GALLIUM AB This review is intended to be a chemist-friendly introduction to what quasicrystals (QCs) and approximant crystals (ACs) are and what chemists may be able to contribute to the field. Readers will first be exposed to a must-know history of QC/ACs, then warmed up with the somewhat distant and prior concepts of metal clusters in halides, oxides etc., and then to polyanionic clusters in Zintl phases and intermetallic systems. Information on these last two has originated over about the last 50 years. We will draw on some more chemical insights and information on how these might be related and applicable to new and expanded QC and AC systems. Then follow our experiences on electronic and chemical tuning of five QC and AC systems and the structural regularities within ACs, from which important clues for quasicrystal structure modeling are evident. C1 [Corbett, John D.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. Iowa State Univ, Ames Lab, Ames, IA 50011 USA. RP Corbett, JD (reprint author), Iowa State Univ, Dept Chem, Ames, IA 50011 USA. EM qslin@iastate.edu; jcorbett@iastate.edu RI Lin, Qisheng/F-7677-2010 OI Lin, Qisheng/0000-0001-7244-7213 NR 102 TC 21 Z9 21 U1 1 U2 13 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0081-5993 BN 978-3-642-01561-8 J9 STRUCT BOND JI Struct. Bond. PY 2009 VL 133 BP 1 EP 39 DI 10.1007/430_2008_11 D2 10.1007/978-3-642-01562-5 PG 39 WC Chemistry, Inorganic & Nuclear; Chemistry, Physical SC Chemistry GA BKJ88 UT WOS:000268334900001 ER PT S AU Stephens, DC Leggett, SK Marley, MS Saumon, D Cushing, MC Geballe, TR Golimowski, DA Fan, XH Noll, KS AF Stephens, D. C. Leggett, S. K. Marley, Mark S. Saumon, D. Cushing, Michael C. Geballe, T. R. Golimowski, D. A. Fan, Xiaohui Noll, K. S. BE Stempels, E TI The 0.8 to 14.5 mu m Spectral Energy Distributions of Mid-L to Mid-T Dwarfs SO COOL STARS, STELLAR SYSTEMS AND THE SUN SE AIP Conference Proceedings LA English DT Proceedings Paper CT 15th Cambridge Workshop on Cool Stars, Stellar Systems and the Sun CY JUL 21-25, 2008 CL St Andrews, SCOTLAND SP Royal Astron Soc, Scottish Univ Phys Alliance, European Space Agcy, NASA Astrobiol Inst DE stars:low-mass, brown dwarfs; stars:fundamental parameters ID CLASSIFICATION; CLOUDS AB We fit theoretical model atmospheres to the spectral energy distribution of 21 L and T dwarfs recently observed with the Spitzer Space Telescope to identify and isolate four key physical parameters used in the model characterization of their atmospheres. The wide range of wavelengths observed (similar to 0.6 to 14.5 mu m) lets us constrain almost independently the four model parameters used to describe these photospheres: effective temperature (T-eff), grain sedimentation (f(sed)), vertical gas transport efficiency (K-zz), and gravity. We find that the ratio of the mid-infrared to near-infrared flux is a good indicator of T-eff, while the slope in the near-infrared is strongly dependent on f(sed). The CH4 hands found at 2, 3 and h mu m are sensitive to the timescale for vertical mixing. and gravity will influence the flux at 2 mu m. C1 [Stephens, D. C.] Brigham Young Univ, Dept Phys & Astron, N486 ESC, Provo, UT 84602 USA. [Leggett, S. K.; Geballe, T. R.] Northen Operat Ctr, Gemini Observ, Hilo, HI 96720 USA. [Marley, Mark S.] NASA, Ames Res Ctr, Moffett Field, CA 94035 USA. [Saumon, D.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. [Cushing, Michael C.] Univ Hawaii, Astron Inst, Honolulu, HI 96822 USA. [Golimowski, D. A.; Noll, K. S.] Space Telescope Sci Inst, 3700 San Martin Dr, Baltimore, MD 21218 USA. [Fan, Xiaohui] Univ Arizona, Steward Observ, Tucson, AZ 85721 USA. RP Stephens, DC (reprint author), Brigham Young Univ, Dept Phys & Astron, N486 ESC, Provo, UT 84602 USA. RI Noll, Keith/C-8447-2012; Marley, Mark/I-4704-2013 NR 13 TC 0 Z9 0 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0627-8 J9 AIP CONF PROC PY 2009 VL 1094 BP 172 EP + PG 2 WC Astronomy & Astrophysics; Physics, Applied SC Astronomy & Astrophysics; Physics GA BJC67 UT WOS:000264752500022 ER PT S AU Desai, P Beiersdorfer, P Brickhouse, NS Gu, MF Lepson, JK AF Desai, P. Beiersdorfer, P. Brickhouse, N. S. Gu, M. F. Lepson, J. K. BE Stempels, E TI Status of Line identifications in the Chandra LETG Spectrum of Procyon SO COOL STARS, STELLAR SYSTEMS AND THE SUN SE AIP Conference Proceedings LA English DT Proceedings Paper CT 15th Cambridge Workshop on Cool Stars, Stellar Systems and the Sun CY JUL 21-25, 2008 CL St Andrews, SCOTLAND SP Royal Astron Soc, Scottish Univ Phys Alliance, European Space Agcy, NASA Astrobiol Inst DE Stars: coronae; X-rays; techniques: spectroscopic; atomic data; plasmas ID EXTREME-ULTRAVIOLET; EMISSION-LINES; REGION; VII; ANGSTROM AB We report on our ongoing efforts to produce a relatively complete set of Xray emission lines present in the Low Energy Transmission Grating (LETG) spectra of Procyon. In addition to using recently reprocessed HRC-S/LETG spectra of Procyon, we use LETG spectra of Capella, along with recent Electron Bean Ion Trap (EBIT) laboratory data and new Flexible Atomic Code (FAC) calculations to identify the wealth of weaker lines present in the spectrum. Experimental measurements at the EBIT-I and EBIT-II facilities at Livermore of astrophysically abundant elements (Fe VII-Fe X, Lepson et al. 2002, Ar IX- Ar XVI, Lepson et al 2003, S VII- S XIV, Lepson et al 2004) and new FAC calculations of Mg and Ne (Gu, 2008 in press) provide an opportunity to identify many of the previously unassigned lines in Procyon (Raassen et al, 2002). C1 [Desai, P.; Beiersdorfer, P.; Brickhouse, N. S.; Gu, M. F.; Lepson, J. K.] Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 96620 USA. [Beiersdorfer, P.; Gu, M. F.] Lawrence Livermore Natl Lab, POB 5508, Livermore, CA 94550 USA. [Brickhouse, N. S.] Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02140 USA. RP Desai, P (reprint author), Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 96620 USA. OI Brickhouse, Nancy/0000-0002-8704-4473 FU NASA [AR7-8801X]; DOE [DE-AC53-07NA27344]; Chandra X-ray Center FX Work supported by NASA through Chandra Award AR7-8801X. Work at LLNL was performed under the auspices of DOE under contract DE-AC53-07NA27344. N. S.Brickhouse acknowledges support from the Chandra X-ray Center. NR 13 TC 2 Z9 2 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0627-8 J9 AIP CONF PROC PY 2009 VL 1094 BP 588 EP + PG 2 WC Astronomy & Astrophysics; Physics, Applied SC Astronomy & Astrophysics; Physics GA BJC67 UT WOS:000264752500109 ER PT S AU Sun, JG Liu, ZP Pei, ZJ Phillips, NSL Jensen, JA AF Sun, J. G. Liu, Z. P. Pei, Z. J. Phillips, N. S. L. Jensen, J. A. BE Salem, J Fuller, ER TI OPTICAL METHODS FOR NONDESTRUCTIVE EVALUATION OF SUBSURFACE FLAWS IN SILICON NITRIDE CERAMICS SO CORROSION, WEAR, FATIGUE, AND RELIABILITY OF CERAMICS SE CERAMIC ENGINEERING AND SCIENCE PROCEEDINGS LA English DT Proceedings Paper CT 32nd International Conference on Advanced Ceramics and Composites CY JAN 27-FEB 01, 2008 CL Daytona Beach, FL SP Amer Ceram Soc, ACerS Engn Ceram Div AB It is known that the strength and lifetime of silicon nitrides are strongly affected by Subsurface flaws that arc either inherent to the material (voids, porosity, etc.) or induced by component processing such as machining damage (e.g., cracks). Because ceramics are translucent, optical methods are effective to detect and characterize these types of subsurface flaws. In this study, three optical methods were developed/utilized for nondestructive evaluation (NDE) of subsurface flaws in silicon nitride ceramics: (1) laser backscatter, (2) optical coherence tomography (OCT) and, (3) confocal microscopy. The laser backscatter is a two-dimensional method while both OCT and confocal are three-dimensional methods. Subsurface flaws of various types, sizes, and depths can be identified and imaged by these NDE methods. In particular, subsurface Hertzian cracks, induced by surface indentations with various loads, were clearly imaged for the first time by the confocal method. This paper describes these methods and presents NDE data and their correlation with surface photomicrography results. C1 [Sun, J. G.; Liu, Z. P.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Sun, JG (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. NR 10 TC 0 Z9 0 U1 0 U2 2 PU AMER CERAMIC SOC PI WESTERVILLE PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA SN 0196-6219 BN 978-0-470-34493-4 J9 CERAM ENG SCI PROC PY 2009 VL 29 IS 3 BP 181 EP 188 DI 10.1002/9780470456347.ch18 PG 8 WC Engineering, Mechanical; Materials Science, Ceramics SC Engineering; Materials Science GA BJD50 UT WOS:000265017600018 ER PT S AU Kronberg, PP AF Kronberg, Philipp P. BE Strassmeier, KG Kosovichev, AG Beckman, JE TI Magnetic field transport from AGN cores to jets, lobes, and the IGM SO COSMIC MAGNETIC FIELDS: FROM PLANETS, TO STARS AND GALAXIES SE IAU Symposium Proceedings Series LA English DT Proceedings Paper CT 259th Symposium of the International-Astronomical-Union CY NOV 03-07, 2008 CL Puerto Santiago, SPAIN SP Int Astron Union, Inst Astrophys Canarias, Astrophys Inst Potsdam DE Galaxies: jets; galaxies: active; galaxies: magnetic fields; intergalactic medium ID EXTRAGALACTIC RADIO-SOURCES; ASTROPHYSICAL JETS; BLACK-HOLES; 3C-303; ENERGY; MODEL AB I describe various stages of energy flow along an extragalactic jet, which subsequently evolves into an extended lobe which is visible in radio and X-rays. The sizes of the lobes vary from kpc scales to several megaparsec, so that the largest lobes are clearly injecting back hole energy into the IGM on scales comparable with a galaxy-galaxy separation. This is sometimes loosely referred to as Black hole-IGM "feedback". My talk begins with a well-formed jet, and avoids the complex and unclarified physics at less than a few Schwarzschild radii that cause the initial launching the jet. This presentation focuses on recent thinking and supercomputer simulations that appear to clarify the fundamental nature of these remarkable jets and lobes. The energy transport; process appears to be electrodynamic, rather than particle beam-driven. A new observational verification of a 10(18) Ampere current in an actual jet is concordant with the predictions and simulations of poynting flux-dominated electromagnetic jets. In this model the current is tightly related to the BH mass and angular energy. The magneto-plasma properties of the lobes must obviously match to the jets which feed them. The "energy sink" phase is when BH energy is ultimately deposited on supra-galactic scales. The process from the BH to the lobe production happens with remarkable efficiency. The presence or absence of a, galaxy cluster environment, creates laboratory conditions that help to calibrate the energy flow paths, and the magnetic rigidity of these jet-lobe systems. I conclude by describing recent, sensitive radio observations on supra-cluster scales that test for final magnetic energy deposition - the "sink" phase - into the intergalactic medium. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Kronberg, PP (reprint author), Los Alamos Natl Lab, POB 1663,MS T006, Los Alamos, NM 87545 USA. EM kronberg@physics.utoronto.ca NR 22 TC 1 Z9 1 U1 0 U2 0 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND SN 1743-9213 BN 978-0-521-88990-2 J9 IAU SYMP P SERIES JI IAU Symposium Proc. Series PY 2009 VL 4 IS 259 BP 499 EP 508 DI 10.1017/S1743921309031172 PG 10 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA BJL60 UT WOS:000266769600113 ER PT S AU Bigi, II Sanda, AI AF Bigi, I. I. Sanda, A. I. BA Bigi, II Sanda, AI BF Bigi, II Sanda, AI TI CP VIOLATION Prologue SO CP VIOLATION, 2ND EDITION SE Cambridge Monographs on Particle Physics Nuclear Physics and Cosmology LA English DT Editorial Material; Book Chapter C1 [Bigi, I. I.] Max Planck Inst Phys & Astrophys, D-80805 Munich, Germany. [Bigi, I. I.] CERN, CH-1211 Geneva 23, Switzerland. [Bigi, I. I.] Rhein Westfal TH Aachen, Aachen, Germany. [Bigi, I. I.] Univ Calif Los Angeles, Los Angeles, CA 90024 USA. [Bigi, I. I.] Univ Oregon, Eugene, OR 97403 USA. [Bigi, I. I.] SLAC, Menlo Pk, CA USA. [Bigi, I. I.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Sanda, A. I.] Columbia Univ, New York, NY 10027 USA. [Sanda, A. I.] Fermilab Natl Accelerator Lab, Warrenville, IL USA. [Sanda, A. I.] Rockefeller Univ, New York, NY 10065 USA. [Sanda, A. I.] Nagoya Univ, Nagoya, Aichi 4648601, Japan. EM ibigi@nd.edu; sanda@kanagawa-u.ac.jp NR 0 TC 0 Z9 0 U1 0 U2 0 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND SN 0965-6200 BN 978-0-521-84794-0 J9 CAM MG PART PHYS NUC PY 2009 VL 28 BP 3 EP 11 DI 10.1017/CBO9780511581014.003 D2 10.1017/CBO9780511581014 PG 9 WC Physics, Multidisciplinary; Physics, Mathematical SC Physics GA BDY76 UT WOS:000315673500003 ER PT S AU Bigi, II Sanda, AI AF Bigi, I. I. Sanda, A. I. BA Bigi, II Sanda, AI BF Bigi, II Sanda, AI TI Prelude: C, P and T in classical dynamics SO CP VIOLATION, 2ND EDITION SE Cambridge Monographs on Particle Physics Nuclear Physics and Cosmology LA English DT Article; Book Chapter C1 [Bigi, I. I.] Max Planck Inst Phys & Astrophys, D-80805 Munich, Germany. [Bigi, I. I.] CERN, CH-1211 Geneva 23, Switzerland. [Bigi, I. I.] Rhein Westfal TH Aachen, Aachen, Germany. [Bigi, I. I.] Univ Calif Los Angeles, Los Angeles, CA 90024 USA. [Bigi, I. I.] Univ Oregon, Eugene, OR 97403 USA. [Bigi, I. I.] SLAC, Menlo Pk, CA USA. [Bigi, I. I.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Sanda, A. I.] Columbia Univ, New York, NY 10027 USA. [Sanda, A. I.] Fermilab Natl Accelerator Lab, Warrenville, IL USA. [Sanda, A. I.] Rockefeller Univ, New York, NY 10065 USA. [Sanda, A. I.] Nagoya Univ, Nagoya, Aichi 4648601, Japan. EM ibigi@nd.edu; sanda@kanagawa-u.ac.jp NR 0 TC 0 Z9 0 U1 0 U2 0 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND SN 0965-6200 BN 978-0-521-84794-0 J9 CAM MG PART PHYS NUC PY 2009 VL 28 BP 12 EP 20 DI 10.1017/CBO9780511581014.004 D2 10.1017/CBO9780511581014 PG 9 WC Physics, Multidisciplinary; Physics, Mathematical SC Physics GA BDY76 UT WOS:000315673500004 ER PT S AU Bigi, II Sanda, AI AF Bigi, I. I. Sanda, A. I. BA Bigi, II Sanda, AI BF Bigi, II Sanda, AI TI CP VIOLATION Preface to the second edition SO CP VIOLATION, 2ND EDITION SE Cambridge Monographs on Particle Physics Nuclear Physics and Cosmology LA English DT Editorial Material; Book Chapter C1 [Bigi, I. I.] Max Planck Inst Phys & Astrophys, D-80805 Munich, Germany. [Bigi, I. I.] CERN, CH-1211 Geneva 23, Switzerland. [Bigi, I. I.] Rhein Westfal TH Aachen, Aachen, Germany. [Bigi, I. I.] Univ Calif Los Angeles, Los Angeles, CA 90024 USA. [Bigi, I. I.] Univ Oregon, Eugene, OR 97403 USA. [Bigi, I. I.] SLAC, Menlo Pk, CA USA. [Bigi, I. I.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Sanda, A. I.] Columbia Univ, New York, NY 10027 USA. [Sanda, A. I.] Fermilab Natl Accelerator Lab, Warrenville, IL USA. [Sanda, A. I.] Rockefeller Univ, New York, NY 10065 USA. [Sanda, A. I.] Nagoya Univ, Nagoya, Aichi 4648601, Japan. EM ibigi@nd.edu; sanda@kanagawa-u.ac.jp NR 0 TC 0 Z9 0 U1 0 U2 0 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND SN 0965-6200 BN 978-0-521-84794-0 J9 CAM MG PART PHYS NUC PY 2009 VL 28 BP XVII EP + DI 10.1017/CBO9780511581014.001 D2 10.1017/CBO9780511581014 PG 15 WC Physics, Multidisciplinary; Physics, Mathematical SC Physics GA BDY76 UT WOS:000315673500001 ER PT S AU Bigi, II Sanda, AI AF Bigi, I. I. Sanda, A. I. BA Bigi, II Sanda, AI BF Bigi, II Sanda, AI TI CP VIOLATION Preface to the first edition SO CP VIOLATION, 2ND EDITION SE Cambridge Monographs on Particle Physics Nuclear Physics and Cosmology LA English DT Editorial Material; Book Chapter C1 [Bigi, I. I.] Max Planck Inst Phys & Astrophys, D-80805 Munich, Germany. [Bigi, I. I.] CERN, CH-1211 Geneva 23, Switzerland. [Bigi, I. I.] Rhein Westfal TH Aachen, Aachen, Germany. [Bigi, I. I.] Univ Calif Los Angeles, Los Angeles, CA 90024 USA. [Bigi, I. I.] Univ Oregon, Eugene, OR 97403 USA. [Bigi, I. I.] SLAC, Menlo Pk, CA USA. [Bigi, I. I.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Sanda, A. I.] Columbia Univ, New York, NY 10027 USA. [Sanda, A. I.] Fermilab Natl Accelerator Lab, Warrenville, IL USA. [Sanda, A. I.] Rockefeller Univ, New York, NY 10065 USA. [Sanda, A. I.] Nagoya Univ, Nagoya, Aichi 4648601, Japan. EM ibigi@nd.edu; sanda@kanagawa-u.ac.jp NR 0 TC 0 Z9 0 U1 0 U2 0 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND SN 0965-6200 BN 978-0-521-84794-0 J9 CAM MG PART PHYS NUC PY 2009 VL 28 BP XIX EP XX DI 10.1017/CBO9780511581014.002 D2 10.1017/CBO9780511581014 PG 2 WC Physics, Multidisciplinary; Physics, Mathematical SC Physics GA BDY76 UT WOS:000315673500002 ER PT S AU Bigi, II Sanda, AI AF Bigi, I. I. Sanda, A. I. BA Bigi, II Sanda, AI BF Bigi, II Sanda, AI TI C, P and T in non-relativistic quantum mechanics SO CP VIOLATION, 2ND EDITION SE Cambridge Monographs on Particle Physics Nuclear Physics and Cosmology LA English DT Article; Book Chapter C1 [Bigi, I. I.] Max Planck Inst Phys & Astrophys, D-80805 Munich, Germany. [Bigi, I. I.] CERN, CH-1211 Geneva 23, Switzerland. [Bigi, I. I.] Rhein Westfal TH Aachen, Aachen, Germany. [Bigi, I. I.] Univ Calif Los Angeles, Los Angeles, CA 90024 USA. [Bigi, I. I.] Univ Oregon, Eugene, OR 97403 USA. [Bigi, I. I.] SLAC, Menlo Pk, CA USA. [Bigi, I. I.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Sanda, A. I.] Columbia Univ, New York, NY 10027 USA. [Sanda, A. I.] Fermilab Natl Accelerator Lab, Warrenville, IL USA. [Sanda, A. I.] Rockefeller Univ, New York, NY 10065 USA. [Sanda, A. I.] Nagoya Univ, Nagoya, Aichi 4648601, Japan. EM ibigi@nd.edu; sanda@kanagawa-u.ac.jp NR 0 TC 0 Z9 0 U1 0 U2 0 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND SN 0965-6200 BN 978-0-521-84794-0 J9 CAM MG PART PHYS NUC PY 2009 VL 28 BP 21 EP 40 DI 10.1017/CBO9780511581014.005 D2 10.1017/CBO9780511581014 PG 20 WC Physics, Multidisciplinary; Physics, Mathematical SC Physics GA BDY76 UT WOS:000315673500005 ER PT S AU Bigi, II Sanda, AI AF Bigi, I. I. Sanda, A. I. BA Bigi, II Sanda, AI BF Bigi, II Sanda, AI TI C, P and T in relativistic quantum theories SO CP VIOLATION, 2ND EDITION SE Cambridge Monographs on Particle Physics Nuclear Physics and Cosmology LA English DT Article; Book Chapter C1 [Bigi, I. I.] Max Planck Inst Phys & Astrophys, D-80805 Munich, Germany. [Bigi, I. I.] CERN, CH-1211 Geneva 23, Switzerland. [Bigi, I. I.] Rhein Westfal TH Aachen, Aachen, Germany. [Bigi, I. I.] Univ Calif Los Angeles, Los Angeles, CA 90024 USA. [Bigi, I. I.] Univ Oregon, Eugene, OR 97403 USA. [Bigi, I. I.] SLAC, Menlo Pk, CA USA. [Bigi, I. I.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Sanda, A. I.] Columbia Univ, New York, NY 10027 USA. [Sanda, A. I.] Fermilab Natl Accelerator Lab, Warrenville, IL USA. [Sanda, A. I.] Rockefeller Univ, New York, NY 10065 USA. [Sanda, A. I.] Nagoya Univ, Nagoya, Aichi 4648601, Japan. EM ibigi@nd.edu; sanda@kanagawa-u.ac.jp NR 0 TC 0 Z9 0 U1 0 U2 0 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND SN 0965-6200 BN 978-0-521-84794-0 J9 CAM MG PART PHYS NUC PY 2009 VL 28 BP 41 EP 72 DI 10.1017/CBO9780511581014.006 D2 10.1017/CBO9780511581014 PG 32 WC Physics, Multidisciplinary; Physics, Mathematical SC Physics GA BDY76 UT WOS:000315673500006 ER PT S AU Bigi, II Sanda, AI AF Bigi, I. I. Sanda, A. I. BA Bigi, II Sanda, AI BF Bigi, II Sanda, AI TI The arrival of strange particles SO CP VIOLATION, 2ND EDITION SE Cambridge Monographs on Particle Physics Nuclear Physics and Cosmology LA English DT Article; Book Chapter C1 [Bigi, I. I.] Max Planck Inst Phys & Astrophys, D-80805 Munich, Germany. [Bigi, I. I.] CERN, CH-1211 Geneva 23, Switzerland. [Bigi, I. I.] Rhein Westfal TH Aachen, Aachen, Germany. [Bigi, I. I.] Univ Calif Los Angeles, Los Angeles, CA 90024 USA. [Bigi, I. I.] Univ Oregon, Eugene, OR 97403 USA. [Bigi, I. I.] SLAC, Menlo Pk, CA USA. [Bigi, I. I.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Sanda, A. I.] Columbia Univ, New York, NY 10027 USA. [Sanda, A. I.] Fermilab Natl Accelerator Lab, Warrenville, IL USA. [Sanda, A. I.] Rockefeller Univ, New York, NY 10065 USA. [Sanda, A. I.] Nagoya Univ, Nagoya, Aichi 4648601, Japan. EM ibigi@nd.edu; sanda@kanagawa-u.ac.jp NR 0 TC 0 Z9 0 U1 0 U2 0 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND SN 0965-6200 BN 978-0-521-84794-0 J9 CAM MG PART PHYS NUC PY 2009 VL 28 BP 73 EP 89 DI 10.1017/CBO9780511581014.007 D2 10.1017/CBO9780511581014 PG 17 WC Physics, Multidisciplinary; Physics, Mathematical SC Physics GA BDY76 UT WOS:000315673500007 ER PT S AU Bigi, II Sanda, AI AF Bigi, I. I. Sanda, A. I. BA Bigi, II Sanda, AI BF Bigi, II Sanda, AI TI Quantum mechanics of neutral particles SO CP VIOLATION, 2ND EDITION SE Cambridge Monographs on Particle Physics Nuclear Physics and Cosmology LA English DT Article; Book Chapter C1 [Bigi, I. I.] Max Planck Inst Phys & Astrophys, D-80805 Munich, Germany. [Bigi, I. I.] CERN, CH-1211 Geneva 23, Switzerland. [Bigi, I. I.] Rhein Westfal TH Aachen, Aachen, Germany. [Bigi, I. I.] Univ Calif Los Angeles, Los Angeles, CA 90024 USA. [Bigi, I. I.] Univ Oregon, Eugene, OR 97403 USA. [Bigi, I. I.] SLAC, Menlo Pk, CA USA. [Bigi, I. I.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Sanda, A. I.] Columbia Univ, New York, NY 10027 USA. [Sanda, A. I.] Fermilab Natl Accelerator Lab, Warrenville, IL USA. [Sanda, A. I.] Rockefeller Univ, New York, NY 10065 USA. [Sanda, A. I.] Nagoya Univ, Nagoya, Aichi 4648601, Japan. EM ibigi@nd.edu; sanda@kanagawa-u.ac.jp NR 0 TC 0 Z9 0 U1 0 U2 0 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND SN 0965-6200 BN 978-0-521-84794-0 J9 CAM MG PART PHYS NUC PY 2009 VL 28 BP 90 EP 114 DI 10.1017/CBO9780511581014.008 D2 10.1017/CBO9780511581014 PG 25 WC Physics, Multidisciplinary; Physics, Mathematical SC Physics GA BDY76 UT WOS:000315673500008 ER PT S AU Bigi, II Sanda, AI AF Bigi, I. I. Sanda, A. I. BA Bigi, II Sanda, AI BF Bigi, II Sanda, AI TI The quest for CP violation in K decays - a marathon SO CP VIOLATION, 2ND EDITION SE Cambridge Monographs on Particle Physics Nuclear Physics and Cosmology LA English DT Article; Book Chapter C1 [Bigi, I. I.] Max Planck Inst Phys & Astrophys, D-80805 Munich, Germany. [Bigi, I. I.] CERN, CH-1211 Geneva 23, Switzerland. [Bigi, I. I.] Rhein Westfal TH Aachen, Aachen, Germany. [Bigi, I. I.] Univ Calif Los Angeles, Los Angeles, CA 90024 USA. [Bigi, I. I.] Univ Oregon, Eugene, OR 97403 USA. [Bigi, I. I.] SLAC, Menlo Pk, CA USA. [Bigi, I. I.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Sanda, A. I.] Columbia Univ, New York, NY 10027 USA. [Sanda, A. I.] Fermilab Natl Accelerator Lab, Warrenville, IL USA. [Sanda, A. I.] Rockefeller Univ, New York, NY 10065 USA. [Sanda, A. I.] Nagoya Univ, Nagoya, Aichi 4648601, Japan. EM ibigi@nd.edu; sanda@kanagawa-u.ac.jp NR 0 TC 0 Z9 0 U1 0 U2 0 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND SN 0965-6200 BN 978-0-521-84794-0 J9 CAM MG PART PHYS NUC PY 2009 VL 28 BP 117 EP 142 DI 10.1017/CBO9780511581014.009 D2 10.1017/CBO9780511581014 PG 26 WC Physics, Multidisciplinary; Physics, Mathematical SC Physics GA BDY76 UT WOS:000315673500009 ER PT S AU Bigi, II Sanda, AI AF Bigi, I. I. Sanda, A. I. BA Bigi, II Sanda, AI BF Bigi, II Sanda, AI TI The KM implementation of CP violation SO CP VIOLATION, 2ND EDITION SE Cambridge Monographs on Particle Physics Nuclear Physics and Cosmology LA English DT Article; Book Chapter C1 [Bigi, I. I.] Max Planck Inst Phys & Astrophys, D-80805 Munich, Germany. [Bigi, I. I.] CERN, CH-1211 Geneva 23, Switzerland. [Bigi, I. I.] Rhein Westfal TH Aachen, Aachen, Germany. [Bigi, I. I.] Univ Calif Los Angeles, Los Angeles, CA 90024 USA. [Bigi, I. I.] Univ Oregon, Eugene, OR 97403 USA. [Bigi, I. I.] SLAC, Menlo Pk, CA USA. [Bigi, I. I.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Sanda, A. I.] Columbia Univ, New York, NY 10027 USA. [Sanda, A. I.] Fermilab Natl Accelerator Lab, Warrenville, IL USA. [Sanda, A. I.] Rockefeller Univ, New York, NY 10065 USA. [Sanda, A. I.] Nagoya Univ, Nagoya, Aichi 4648601, Japan. EM ibigi@nd.edu; sanda@kanagawa-u.ac.jp NR 0 TC 0 Z9 0 U1 0 U2 0 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND SN 0965-6200 BN 978-0-521-84794-0 J9 CAM MG PART PHYS NUC PY 2009 VL 28 BP 143 EP 159 DI 10.1017/CBO9780511581014.010 D2 10.1017/CBO9780511581014 PG 17 WC Physics, Multidisciplinary; Physics, Mathematical SC Physics GA BDY76 UT WOS:000315673500010 ER PT S AU Bigi, II Sanda, AI AF Bigi, I. I. Sanda, A. I. BA Bigi, II Sanda, AI BF Bigi, II Sanda, AI TI The theory of K-L -> pi pi decays SO CP VIOLATION, 2ND EDITION SE Cambridge Monographs on Particle Physics Nuclear Physics and Cosmology LA English DT Article; Book Chapter C1 [Bigi, I. I.] Max Planck Inst Phys & Astrophys, D-80805 Munich, Germany. [Bigi, I. I.] CERN, CH-1211 Geneva 23, Switzerland. [Bigi, I. I.] Rhein Westfal TH Aachen, Aachen, Germany. [Bigi, I. I.] Univ Calif Los Angeles, Los Angeles, CA 90024 USA. [Bigi, I. I.] Univ Oregon, Eugene, OR 97403 USA. [Bigi, I. I.] SLAC, Menlo Pk, CA USA. [Bigi, I. I.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Sanda, A. I.] Columbia Univ, New York, NY 10027 USA. [Sanda, A. I.] Fermilab Natl Accelerator Lab, Warrenville, IL USA. [Sanda, A. I.] Rockefeller Univ, New York, NY 10065 USA. [Sanda, A. I.] Nagoya Univ, Nagoya, Aichi 4648601, Japan. EM ibigi@nd.edu; sanda@kanagawa-u.ac.jp NR 0 TC 0 Z9 0 U1 0 U2 0 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND SN 0965-6200 BN 978-0-521-84794-0 J9 CAM MG PART PHYS NUC PY 2009 VL 28 BP 160 EP 179 DI 10.1017/CBO9780511581014.011 D2 10.1017/CBO9780511581014 PG 20 WC Physics, Multidisciplinary; Physics, Mathematical SC Physics GA BDY76 UT WOS:000315673500011 ER PT S AU Bigi, II Sanda, AI AF Bigi, I. I. Sanda, A. I. BA Bigi, II Sanda, AI BF Bigi, II Sanda, AI TI Paradigmatic discoveries in B physics SO CP VIOLATION, 2ND EDITION SE Cambridge Monographs on Particle Physics Nuclear Physics and Cosmology LA English DT Article; Book Chapter C1 [Bigi, I. I.] Max Planck Inst Phys & Astrophys, D-80805 Munich, Germany. [Bigi, I. I.] CERN, CH-1211 Geneva 23, Switzerland. [Bigi, I. I.] Rhein Westfal TH Aachen, Aachen, Germany. [Bigi, I. I.] Univ Calif Los Angeles, Los Angeles, CA 90024 USA. [Bigi, I. I.] Univ Oregon, Eugene, OR 97403 USA. [Bigi, I. I.] SLAC, Menlo Pk, CA USA. [Bigi, I. I.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Sanda, A. I.] Columbia Univ, New York, NY 10027 USA. [Sanda, A. I.] Fermilab Natl Accelerator Lab, Warrenville, IL USA. [Sanda, A. I.] Rockefeller Univ, New York, NY 10065 USA. [Sanda, A. I.] Nagoya Univ, Nagoya, Aichi 4648601, Japan. EM ibigi@nd.edu; sanda@kanagawa-u.ac.jp NR 0 TC 0 Z9 0 U1 0 U2 0 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND SN 0965-6200 BN 978-0-521-84794-0 J9 CAM MG PART PHYS NUC PY 2009 VL 28 BP 180 EP 214 DI 10.1017/CBO9780511581014.012 D2 10.1017/CBO9780511581014 PG 35 WC Physics, Multidisciplinary; Physics, Mathematical SC Physics GA BDY76 UT WOS:000315673500012 ER PT S AU Bigi, II Sanda, AI AF Bigi, I. I. Sanda, A. I. BA Bigi, II Sanda, AI BF Bigi, II Sanda, AI TI Let the drama unfold - B CP phenomenology SO CP VIOLATION, 2ND EDITION SE Cambridge Monographs on Particle Physics Nuclear Physics and Cosmology LA English DT Article; Book Chapter C1 [Bigi, I. I.] Max Planck Inst Phys & Astrophys, D-80805 Munich, Germany. [Bigi, I. I.] CERN, CH-1211 Geneva 23, Switzerland. [Bigi, I. I.] Rhein Westfal TH Aachen, Aachen, Germany. [Bigi, I. I.] Univ Calif Los Angeles, Los Angeles, CA 90024 USA. [Bigi, I. I.] Univ Oregon, Eugene, OR 97403 USA. [Bigi, I. I.] SLAC, Menlo Pk, CA USA. [Bigi, I. I.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Sanda, A. I.] Columbia Univ, New York, NY 10027 USA. [Sanda, A. I.] Fermilab Natl Accelerator Lab, Warrenville, IL USA. [Sanda, A. I.] Rockefeller Univ, New York, NY 10065 USA. [Sanda, A. I.] Nagoya Univ, Nagoya, Aichi 4648601, Japan. EM ibigi@nd.edu; sanda@kanagawa-u.ac.jp NR 0 TC 0 Z9 0 U1 0 U2 0 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND SN 0965-6200 BN 978-0-521-84794-0 J9 CAM MG PART PHYS NUC PY 2009 VL 28 BP 215 EP 247 DI 10.1017/CBO9780511581014.013 D2 10.1017/CBO9780511581014 PG 33 WC Physics, Multidisciplinary; Physics, Mathematical SC Physics GA BDY76 UT WOS:000315673500013 ER PT S AU Bigi, II Sanda, AI AF Bigi, I. I. Sanda, A. I. BA Bigi, II Sanda, AI BF Bigi, II Sanda, AI TI Rare K and B decays - almost perfect laboratories SO CP VIOLATION, 2ND EDITION SE Cambridge Monographs on Particle Physics Nuclear Physics and Cosmology LA English DT Article; Book Chapter C1 [Bigi, I. I.] Max Planck Inst Phys & Astrophys, D-80805 Munich, Germany. [Bigi, I. I.] CERN, CH-1211 Geneva 23, Switzerland. [Bigi, I. I.] Rhein Westfal TH Aachen, Aachen, Germany. [Bigi, I. I.] Univ Calif Los Angeles, Los Angeles, CA 90024 USA. [Bigi, I. I.] Univ Oregon, Eugene, OR 97403 USA. [Bigi, I. I.] SLAC, Menlo Pk, CA USA. [Bigi, I. I.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Sanda, A. I.] Columbia Univ, New York, NY 10027 USA. [Sanda, A. I.] Fermilab Natl Accelerator Lab, Warrenville, IL USA. [Sanda, A. I.] Rockefeller Univ, New York, NY 10065 USA. [Sanda, A. I.] Nagoya Univ, Nagoya, Aichi 4648601, Japan. EM ibigi@nd.edu; sanda@kanagawa-u.ac.jp NR 0 TC 0 Z9 0 U1 0 U2 0 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND SN 0965-6200 BN 978-0-521-84794-0 J9 CAM MG PART PHYS NUC PY 2009 VL 28 BP 248 EP 264 DI 10.1017/CBO9780511581014.014 D2 10.1017/CBO9780511581014 PG 17 WC Physics, Multidisciplinary; Physics, Mathematical SC Physics GA BDY76 UT WOS:000315673500014 ER PT S AU Bigi, II Sanda, AI AF Bigi, I. I. Sanda, A. I. BA Bigi, II Sanda, AI BF Bigi, II Sanda, AI TI CPT violation - could it be in K and B decays? SO CP VIOLATION, 2ND EDITION SE Cambridge Monographs on Particle Physics Nuclear Physics and Cosmology LA English DT Article; Book Chapter C1 [Bigi, I. I.] Max Planck Inst Phys & Astrophys, D-80805 Munich, Germany. [Bigi, I. I.] CERN, CH-1211 Geneva 23, Switzerland. [Bigi, I. I.] Rhein Westfal TH Aachen, Aachen, Germany. [Bigi, I. I.] Univ Calif Los Angeles, Los Angeles, CA 90024 USA. [Bigi, I. I.] Univ Oregon, Eugene, OR 97403 USA. [Bigi, I. I.] SLAC, Menlo Pk, CA USA. [Bigi, I. I.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Sanda, A. I.] Columbia Univ, New York, NY 10027 USA. [Sanda, A. I.] Fermilab Natl Accelerator Lab, Warrenville, IL USA. [Sanda, A. I.] Rockefeller Univ, New York, NY 10065 USA. [Sanda, A. I.] Nagoya Univ, Nagoya, Aichi 4648601, Japan. EM ibigi@nd.edu; sanda@kanagawa-u.ac.jp NR 0 TC 0 Z9 0 U1 0 U2 0 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND SN 0965-6200 BN 978-0-521-84794-0 J9 CAM MG PART PHYS NUC PY 2009 VL 28 BP 265 EP 285 DI 10.1017/CBO9780511581014.015 D2 10.1017/CBO9780511581014 PG 21 WC Physics, Multidisciplinary; Physics, Mathematical SC Physics GA BDY76 UT WOS:000315673500015 ER PT S AU Bigi, II Sanda, AI AF Bigi, I. I. Sanda, A. I. BA Bigi, II Sanda, AI BF Bigi, II Sanda, AI TI CP violation in charm decays - the dark horse SO CP VIOLATION, 2ND EDITION SE Cambridge Monographs on Particle Physics Nuclear Physics and Cosmology LA English DT Article; Book Chapter C1 [Bigi, I. I.] Max Planck Inst Phys & Astrophys, D-80805 Munich, Germany. [Bigi, I. I.] CERN, CH-1211 Geneva 23, Switzerland. [Bigi, I. I.] Rhein Westfal TH Aachen, Aachen, Germany. [Bigi, I. I.] Univ Calif Los Angeles, Los Angeles, CA 90024 USA. [Bigi, I. I.] Univ Oregon, Eugene, OR 97403 USA. [Bigi, I. I.] SLAC, Menlo Pk, CA USA. [Bigi, I. I.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Sanda, A. I.] Columbia Univ, New York, NY 10027 USA. [Sanda, A. I.] Fermilab Natl Accelerator Lab, Warrenville, IL USA. [Sanda, A. I.] Rockefeller Univ, New York, NY 10065 USA. [Sanda, A. I.] Nagoya Univ, Nagoya, Aichi 4648601, Japan. EM ibigi@nd.edu; sanda@kanagawa-u.ac.jp NR 0 TC 0 Z9 0 U1 0 U2 0 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND SN 0965-6200 BN 978-0-521-84794-0 J9 CAM MG PART PHYS NUC PY 2009 VL 28 BP 286 EP 313 DI 10.1017/CBO9780511581014.016 D2 10.1017/CBO9780511581014 PG 28 WC Physics, Multidisciplinary; Physics, Mathematical SC Physics GA BDY76 UT WOS:000315673500016 ER PT S AU Bigi, II Sanda, AI AF Bigi, I. I. Sanda, A. I. BA Bigi, II Sanda, AI BF Bigi, II Sanda, AI TI The strong CP problem SO CP VIOLATION, 2ND EDITION SE Cambridge Monographs on Particle Physics Nuclear Physics and Cosmology LA English DT Article; Book Chapter C1 [Bigi, I. I.] Max Planck Inst Phys & Astrophys, D-80805 Munich, Germany. [Bigi, I. I.] CERN, CH-1211 Geneva 23, Switzerland. [Bigi, I. I.] Rhein Westfal TH Aachen, Aachen, Germany. [Bigi, I. I.] Univ Calif Los Angeles, Los Angeles, CA 90024 USA. [Bigi, I. I.] Univ Oregon, Eugene, OR 97403 USA. [Bigi, I. I.] SLAC, Menlo Pk, CA USA. [Bigi, I. I.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Sanda, A. I.] Columbia Univ, New York, NY 10027 USA. [Sanda, A. I.] Fermilab Natl Accelerator Lab, Warrenville, IL USA. [Sanda, A. I.] Rockefeller Univ, New York, NY 10065 USA. [Sanda, A. I.] Nagoya Univ, Nagoya, Aichi 4648601, Japan. EM ibigi@nd.edu; sanda@kanagawa-u.ac.jp NR 0 TC 0 Z9 0 U1 0 U2 0 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND SN 0965-6200 BN 978-0-521-84794-0 J9 CAM MG PART PHYS NUC PY 2009 VL 28 BP 314 EP 332 DI 10.1017/CBO9780511581014.017 D2 10.1017/CBO9780511581014 PG 19 WC Physics, Multidisciplinary; Physics, Mathematical SC Physics GA BDY76 UT WOS:000315673500017 ER PT S AU Bigi, II Sanda, AI AF Bigi, I. I. Sanda, A. I. BA Bigi, II Sanda, AI BF Bigi, II Sanda, AI TI Quest for CP violation in the neutrino sector SO CP VIOLATION, 2ND EDITION SE Cambridge Monographs on Particle Physics Nuclear Physics and Cosmology LA English DT Article; Book Chapter C1 [Bigi, I. I.] Max Planck Inst Phys & Astrophys, D-80805 Munich, Germany. [Bigi, I. I.] CERN, CH-1211 Geneva 23, Switzerland. [Bigi, I. I.] Rhein Westfal TH Aachen, Aachen, Germany. [Bigi, I. I.] Univ Calif Los Angeles, Los Angeles, CA 90024 USA. [Bigi, I. I.] Univ Oregon, Eugene, OR 97403 USA. [Bigi, I. I.] SLAC, Menlo Pk, CA USA. [Bigi, I. I.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Sanda, A. I.] Columbia Univ, New York, NY 10027 USA. [Sanda, A. I.] Fermilab Natl Accelerator Lab, Warrenville, IL USA. [Sanda, A. I.] Rockefeller Univ, New York, NY 10065 USA. [Sanda, A. I.] Nagoya Univ, Nagoya, Aichi 4648601, Japan. EM ibigi@nd.edu; sanda@kanagawa-u.ac.jp NR 0 TC 0 Z9 0 U1 0 U2 0 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND SN 0965-6200 BN 978-0-521-84794-0 J9 CAM MG PART PHYS NUC PY 2009 VL 28 BP 335 EP 361 DI 10.1017/CBO9780511581014.018 D2 10.1017/CBO9780511581014 PG 27 WC Physics, Multidisciplinary; Physics, Mathematical SC Physics GA BDY76 UT WOS:000315673500018 ER PT S AU Bigi, II Sanda, AI AF Bigi, I. I. Sanda, A. I. BA Bigi, II Sanda, AI BF Bigi, II Sanda, AI TI Possible corrections to the KM ansatz: right-handed currents and non-minimal Higgs dynamics SO CP VIOLATION, 2ND EDITION SE Cambridge Monographs on Particle Physics Nuclear Physics and Cosmology LA English DT Article; Book Chapter C1 [Bigi, I. I.] Max Planck Inst Phys & Astrophys, D-80805 Munich, Germany. [Bigi, I. I.] CERN, CH-1211 Geneva 23, Switzerland. [Bigi, I. I.] Rhein Westfal TH Aachen, Aachen, Germany. [Bigi, I. I.] Univ Calif Los Angeles, Los Angeles, CA 90024 USA. [Bigi, I. I.] Univ Oregon, Eugene, OR 97403 USA. [Bigi, I. I.] SLAC, Menlo Pk, CA USA. [Bigi, I. I.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Sanda, A. I.] Columbia Univ, New York, NY 10027 USA. [Sanda, A. I.] Fermilab Natl Accelerator Lab, Warrenville, IL USA. [Sanda, A. I.] Rockefeller Univ, New York, NY 10065 USA. [Sanda, A. I.] Nagoya Univ, Nagoya, Aichi 4648601, Japan. EM ibigi@nd.edu; sanda@kanagawa-u.ac.jp NR 0 TC 0 Z9 0 U1 0 U2 0 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND SN 0965-6200 BN 978-0-521-84794-0 J9 CAM MG PART PHYS NUC PY 2009 VL 28 BP 362 EP 395 DI 10.1017/CBO9780511581014.019 D2 10.1017/CBO9780511581014 PG 34 WC Physics, Multidisciplinary; Physics, Mathematical SC Physics GA BDY76 UT WOS:000315673500019 ER PT S AU Bigi, II Sanda, AI AF Bigi, I. I. Sanda, A. I. BA Bigi, II Sanda, AI BF Bigi, II Sanda, AI TI CP violation without non-perturbative dynamics - top quarks and charged leptons SO CP VIOLATION, 2ND EDITION SE Cambridge Monographs on Particle Physics Nuclear Physics and Cosmology LA English DT Article; Book Chapter C1 [Bigi, I. I.] Max Planck Inst Phys & Astrophys, D-80805 Munich, Germany. [Bigi, I. I.] CERN, CH-1211 Geneva 23, Switzerland. [Bigi, I. I.] Rhein Westfal TH Aachen, Aachen, Germany. [Bigi, I. I.] Univ Calif Los Angeles, Los Angeles, CA 90024 USA. [Bigi, I. I.] Univ Oregon, Eugene, OR 97403 USA. [Bigi, I. I.] SLAC, Menlo Pk, CA USA. [Bigi, I. I.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Sanda, A. I.] Columbia Univ, New York, NY 10027 USA. [Sanda, A. I.] Fermilab Natl Accelerator Lab, Warrenville, IL USA. [Sanda, A. I.] Rockefeller Univ, New York, NY 10065 USA. [Sanda, A. I.] Nagoya Univ, Nagoya, Aichi 4648601, Japan. EM ibigi@nd.edu; sanda@kanagawa-u.ac.jp NR 0 TC 0 Z9 0 U1 0 U2 0 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND SN 0965-6200 BN 978-0-521-84794-0 J9 CAM MG PART PHYS NUC PY 2009 VL 28 BP 396 EP 411 DI 10.1017/CBO9780511581014.020 D2 10.1017/CBO9780511581014 PG 16 WC Physics, Multidisciplinary; Physics, Mathematical SC Physics GA BDY76 UT WOS:000315673500020 ER PT S AU Bigi, II Sanda, AI AF Bigi, I. I. Sanda, A. I. BA Bigi, II Sanda, AI BF Bigi, II Sanda, AI TI SUSY-providing shelter for Higgs dynamics SO CP VIOLATION, 2ND EDITION SE Cambridge Monographs on Particle Physics Nuclear Physics and Cosmology LA English DT Article; Book Chapter C1 [Bigi, I. I.] Max Planck Inst Phys & Astrophys, D-80805 Munich, Germany. [Bigi, I. I.] CERN, CH-1211 Geneva 23, Switzerland. [Bigi, I. I.] Rhein Westfal TH Aachen, Aachen, Germany. [Bigi, I. I.] Univ Calif Los Angeles, Los Angeles, CA 90024 USA. [Bigi, I. I.] Univ Oregon, Eugene, OR 97403 USA. [Bigi, I. I.] SLAC, Menlo Pk, CA USA. [Bigi, I. I.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Sanda, A. I.] Columbia Univ, New York, NY 10027 USA. [Sanda, A. I.] Fermilab Natl Accelerator Lab, Warrenville, IL USA. [Sanda, A. I.] Rockefeller Univ, New York, NY 10065 USA. [Sanda, A. I.] Nagoya Univ, Nagoya, Aichi 4648601, Japan. EM ibigi@nd.edu; sanda@kanagawa-u.ac.jp NR 0 TC 0 Z9 0 U1 0 U2 0 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND SN 0965-6200 BN 978-0-521-84794-0 J9 CAM MG PART PHYS NUC PY 2009 VL 28 BP 412 EP 435 DI 10.1017/CBO9780511581014.021 D2 10.1017/CBO9780511581014 PG 24 WC Physics, Multidisciplinary; Physics, Mathematical SC Physics GA BDY76 UT WOS:000315673500021 ER PT S AU Bigi, II Sanda, AI AF Bigi, I. I. Sanda, A. I. BA Bigi, II Sanda, AI BF Bigi, II Sanda, AI TI Minimal flavour violation and extra dimensions SO CP VIOLATION, 2ND EDITION SE Cambridge Monographs on Particle Physics Nuclear Physics and Cosmology LA English DT Article; Book Chapter C1 [Bigi, I. I.] Max Planck Inst Phys & Astrophys, D-80805 Munich, Germany. [Bigi, I. I.] CERN, CH-1211 Geneva 23, Switzerland. [Bigi, I. I.] Rhein Westfal TH Aachen, Aachen, Germany. [Bigi, I. I.] Univ Calif Los Angeles, Los Angeles, CA 90024 USA. [Bigi, I. I.] Univ Oregon, Eugene, OR 97403 USA. [Bigi, I. I.] SLAC, Menlo Pk, CA USA. [Bigi, I. I.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Sanda, A. I.] Columbia Univ, New York, NY 10027 USA. [Sanda, A. I.] Fermilab Natl Accelerator Lab, Warrenville, IL USA. [Sanda, A. I.] Rockefeller Univ, New York, NY 10065 USA. [Sanda, A. I.] Nagoya Univ, Nagoya, Aichi 4648601, Japan. EM ibigi@nd.edu; sanda@kanagawa-u.ac.jp NR 0 TC 0 Z9 0 U1 0 U2 0 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND SN 0965-6200 BN 978-0-521-84794-0 J9 CAM MG PART PHYS NUC PY 2009 VL 28 BP 436 EP 443 DI 10.1017/CBO9780511581014.022 D2 10.1017/CBO9780511581014 PG 8 WC Physics, Multidisciplinary; Physics, Mathematical SC Physics GA BDY76 UT WOS:000315673500022 ER PT S AU Bigi, II Sanda, AI AF Bigi, I. I. Sanda, A. I. BA Bigi, II Sanda, AI BF Bigi, II Sanda, AI TI Baryogenesis in the universe SO CP VIOLATION, 2ND EDITION SE Cambridge Monographs on Particle Physics Nuclear Physics and Cosmology LA English DT Article; Book Chapter C1 [Bigi, I. I.] Max Planck Inst Phys & Astrophys, D-80805 Munich, Germany. [Bigi, I. I.] CERN, CH-1211 Geneva 23, Switzerland. [Bigi, I. I.] Rhein Westfal TH Aachen, Aachen, Germany. [Bigi, I. I.] Univ Calif Los Angeles, Los Angeles, CA 90024 USA. [Bigi, I. I.] Univ Oregon, Eugene, OR 97403 USA. [Bigi, I. I.] SLAC, Menlo Pk, CA USA. [Bigi, I. I.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Sanda, A. I.] Columbia Univ, New York, NY 10027 USA. [Sanda, A. I.] Fermilab Natl Accelerator Lab, Warrenville, IL USA. [Sanda, A. I.] Rockefeller Univ, New York, NY 10065 USA. [Sanda, A. I.] Nagoya Univ, Nagoya, Aichi 4648601, Japan. EM ibigi@nd.edu; sanda@kanagawa-u.ac.jp NR 0 TC 0 Z9 0 U1 0 U2 0 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND SN 0965-6200 BN 978-0-521-84794-0 J9 CAM MG PART PHYS NUC PY 2009 VL 28 BP 444 EP 453 DI 10.1017/CBO9780511581014.023 D2 10.1017/CBO9780511581014 PG 10 WC Physics, Multidisciplinary; Physics, Mathematical SC Physics GA BDY76 UT WOS:000315673500023 ER PT S AU Bigi, II Sanda, AI AF Bigi, I. I. Sanda, A. I. BA Bigi, II Sanda, AI BF Bigi, II Sanda, AI TI CP VIOLATION Summary and perspectives SO CP VIOLATION, 2ND EDITION SE Cambridge Monographs on Particle Physics Nuclear Physics and Cosmology LA English DT Editorial Material; Book Chapter C1 [Bigi, I. I.] Max Planck Inst Phys & Astrophys, D-80805 Munich, Germany. [Bigi, I. I.] CERN, CH-1211 Geneva 23, Switzerland. [Bigi, I. I.] Rhein Westfal TH Aachen, Aachen, Germany. [Bigi, I. I.] Univ Calif Los Angeles, Los Angeles, CA 90024 USA. [Bigi, I. I.] Univ Oregon, Eugene, OR 97403 USA. [Bigi, I. I.] SLAC, Menlo Pk, CA USA. [Bigi, I. I.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Sanda, A. I.] Columbia Univ, New York, NY 10027 USA. [Sanda, A. I.] Fermilab Natl Accelerator Lab, Warrenville, IL USA. [Sanda, A. I.] Rockefeller Univ, New York, NY 10065 USA. [Sanda, A. I.] Nagoya Univ, Nagoya, Aichi 4648601, Japan. EM ibigi@nd.edu; sanda@kanagawa-u.ac.jp NR 0 TC 0 Z9 0 U1 0 U2 0 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND SN 0965-6200 BN 978-0-521-84794-0 J9 CAM MG PART PHYS NUC PY 2009 VL 28 BP 457 EP 464 DI 10.1017/CBO9780511581014.024 D2 10.1017/CBO9780511581014 PG 8 WC Physics, Multidisciplinary; Physics, Mathematical SC Physics GA BDY76 UT WOS:000315673500024 ER PT B AU Parkinson, RA Dias, KR Horswell, J Greenwood, P Banning, N Tibbett, M Vass, AA AF Parkinson, Rachel A. Dias, Kerith-Rae Horswell, Jacqui Greenwood, Paul Banning, Natasha Tibbett, Mark Vass, Arpad A. BE Ritz, K Dawson, L Miller, D TI Microbial Community Analysis of Human Decomposition on Soil SO CRIMINAL AND ENVIRONMENTAL SOIL FORENSICS LA English DT Proceedings Paper CT 2nd International Soil Forensics Conference CY OCT 30-NOV 01, 2007 CL Edinburgh, SCOTLAND ID 16S RIBOSOMAL-RNA; POSTMORTEM INTERVAL; HUMAN CADAVERS; FUNGI; DIVERSITY; PRIMERS; REMAINS; DEATH; TIME AB Human decomposition is a complex process, involving a multitude of microbial species. Currently. little is known about the microbial species and processes that occur as cadavers decompose. particularly in outdoor environments. With the development of molecular ecology tools that allow the study of complex microbial communities, the 'black box' of the microbiology associated with decomposition is being opened. A preliminary study wits performed to evaluate the changes in the soil bacterial and fungal communities that occur in response to human cadaver decomposition. and to assess the potential for using such changes in either of these two microbial communities for forensic time-since-death estimation. Terminal restriction fragment length polymorphism (T-RFLP) and phospholipid fatty acid (PLFA) analyses were performed on soil samples collected from beneath decomposing human cadavers at the University of Tennessee's Forensic Anthropology Centre. The soil fungal and bacterial communities showed significant changes in response to decomposition events, with some succession patterns emerging as decomposition progressed. Evidence of sequential changes occurring in the soil microbial community provides support for the idea that specific microbes could be used as time-since-death biomarkers, although major differences in the way replicate cadavers decomposed in this study Suggested that both the bacterial and fungal communities may need to be considered to ensure such a method is forensically useful. Some difficulties were also encountered with the polymerase chain reaction (PCR) step in the T-RFLP method being inhibited by soil or decomposition compounds, which suggest that while DNA-based 'profiling' methods may be useful for studying the effects of decomposition on soil. other more specific techniques are likely to be most useful in a forensic post-mortem interval context. C1 [Parkinson, Rachel A.; Horswell, Jacqui] Inst Environm Sci & Res Ltd ESR, Kenepuru Sci Ctr, Porirua, New Zealand. [Dias, Kerith-Rae] Univ Western Australia, Ctr Forens Sci, Perth, WA, Australia. [Greenwood, Paul; Banning, Natasha; Tibbett, Mark] Univ Western Australia, Ctr Land Rehabilitat, Perth, WA, Australia. [Vass, Arpad A.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Parkinson, RA (reprint author), Inst Environm Sci & Res Ltd ESR, Kenepuru Sci Ctr, Porirua, New Zealand. EM rachel.parkinson@esr.cri.nz RI Greenwood, Paul/B-1050-2011; Banning, Natasha/B-4253-2013; Tibbett, Mark/C-8425-2013 NR 41 TC 19 Z9 19 U1 4 U2 24 PU SPRINGER PI DORDRECHT PA PO BOX 17, 3300 AA DORDRECHT, NETHERLANDS BN 978-1-4020-9203-9 PY 2009 BP 379 EP + DI 10.1007/978-1-4020-9204-6_24 PG 5 WC Environmental Sciences; Soil Science SC Environmental Sciences & Ecology; Agriculture GA BKH24 UT WOS:000268094500024 ER PT J AU Polpitiya, AD McDunn, JE Burykin, A Ghosh, BK Cobb, JP AF Polpitiya, Ashoka D. McDunn, Jonathan E. Burykin, Anton Ghosh, Bijoy K. Cobb, J. Perren TI Using systems biology to simplify complex disease: Immune cartography SO CRITICAL CARE MEDICINE LA English DT Article DE microarray; genomics; diagnostics; critical care; interactome ID GENE-EXPRESSION; CRITICAL ILLNESS; INFLAMMATORY RESPONSE; MOLECULAR DIAGNOSTICS; SEPSIS; INJURY; INFECTIONS; PATHOGENS; GENOMICS; BLOOD AB What if there was a rapid, inexpensive, and accurate blood diagnostic that could determine which patients were infected, identify the organism(s) responsible, and identify patients who were not responding to therapy? We hypothesized that systems analysis of the transcriptional activity of circulating immune effector cells could be used to identify conserved elements in the host response to systemic inflammation, and furthermore, to discriminate between sterile and infectious etiologies. We review herein a validated, systems biology approach demonstrating that 1) abdominal and pulmonary sepsis diagnoses can be made in mouse models using microarray (RNA) data from circulating blood, 2) blood microarray data can be used to differentiate between the host response to Gram-negative and Gram-positive pneumonia, 3) the endotoxin response of normal human volunteers can be mapped at the level of gene expression, and 4) a similar strategy can be used in the critically ill to follow septic patients and quantitatively determine immune recovery. These findings provide the foundation of immune cartography and demonstrate the potential of this approach for rapidly diagnosing sepsis and identifying pathogens. Further, our data suggest a new approach to determine how specific pathogens perturb the physiology of circulating leukocytes in a cell-specific manner. Large, prospective clinical trails are needed to validate the clinical utility of leukocyte RNA diagnostics (e.g., the riboleukogram). (Crit Care Med 2009; 37[Suppl.]:S16-S21) C1 [McDunn, Jonathan E.] Washington Univ, Dept Anesthesiol, St Louis, MO USA. [Ghosh, Bijoy K.] Washington Univ, Dept Elect & Syst Engn, St Louis, MO USA. [Cobb, J. Perren] Washington Univ, Ctr Crit Illness & Hlth Engn, Dept Surg, St Louis, MO USA. [Cobb, J. Perren] Washington Univ, Ctr Crit Illness & Hlth Engn, Dept Genet, St Louis, MO USA. RP Polpitiya, AD (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM cobb@wustl.edu RI McDunn, Jonathan/A-6816-2009; OI McDunn, Jonathan/0000-0001-8792-828X FU Washington University Center for Critical Illness and Health Engineering; National Institute of General Medical Sciences Inflammation; Host Response to Injury Program FX We thank our colleagues in the Washington University Center for Critical Illness and Health Engineering and the National Institute of General Medical Sciences Inflammation and Host Response to Injury Program for collaborative support. NR 45 TC 15 Z9 16 U1 0 U2 1 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 0090-3493 J9 CRIT CARE MED JI Crit. Care Med. PD JAN PY 2009 VL 37 IS 1 BP S16 EP S21 DI 10.1097/CCM.0b013e3181920cb0 PG 6 WC Critical Care Medicine SC General & Internal Medicine GA 391YO UT WOS:000262270300003 PM 19104218 ER PT J AU Pepper, IL Gerba, CP Newby, DT Rice, CW AF Pepper, I. L. Gerba, C. P. Newby, D. T. Rice, C. W. TI Soil: A Public Health Threat or Savior? SO CRITICAL REVIEWS IN ENVIRONMENTAL SCIENCE AND TECHNOLOGY LA English DT Review DE soil; geoindigenous pathogens; antibiotics; natural products ID ARBUSCULAR-MYCORRHIZAL-FUNGI; JAPONICUM KIRCHNER JORDAN; HORIZONTAL GENE-TRANSFER; MAX L. MERR.; ENDOPHYTIC FUNGUS; TRIPARTITE-SYMBIOSIS; CARBON SEQUESTRATION; BACILLUS-ANTHRACIS; NATURAL-PRODUCTS; CLIMATE-CHANGE AB Soil is the most complicated biomaterial on the planet due to complex soil architecture and billions of soil microbes with extreme biotic diversity. Soil is potentially a source of human pathogens, which can be defined as geo-indigenous, geo-transportable, or geo-treatable. Such pathogens cumulatively can and do result in multiple human fatalities annually. A striking example is Helminths, with current infections worldwide estimated to be around two billion. However, soil can also be a source of antibiotics and other natural products that enhance human health. Soilborne antibiotics are used to treat human infections, but can also result in antibiotic-resistant bacteria. Natural products isolated from soil resulted in 60% of new cancer drugs between the period 1983-1994. Soils are also crucial to human health through their impact on human nutrition. Finally, from a global perspective, soils are vital to the future well-being of nations through their impact on climate change and global warming. A critical review of soil with respect to public health leads to the conclusion that overall soil is a public health savior. The value of soil using a systems approach is estimated to be $20 trillion, and is by far the most valuable ecosystem in the world. C1 [Pepper, I. L.] Univ Arizona, Environm Res Lab, Tucson, AZ 85706 USA. [Gerba, C. P.] Univ Arizona, Dept Soil Water & Environm Sci, Tucson, AZ 85706 USA. [Newby, D. T.] Idaho Natl Lab, Idaho Falls, ID USA. [Rice, C. W.] Kansas State Univ, Dept Agron, Manhattan, KS 66506 USA. RP Pepper, IL (reprint author), Univ Arizona, Environm Res Lab, Tucson, AZ 85706 USA. EM ipepper@ag.arizona.edu FU National Academies Committee; United States National Committee for Soil Science FX We would like to thank members of the National Academies Committee, United States National Committee for Soil Science, for their initial discussions of soil and human health, which initiated this review article. NR 73 TC 12 Z9 12 U1 2 U2 34 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 1064-3389 J9 CRIT REV ENV SCI TEC JI Crit. Rev. Environ. Sci. Technol. PY 2009 VL 39 IS 5 BP 416 EP 432 AR PII 910740138 DI 10.1080/10643380701664748 PG 17 WC Environmental Sciences SC Environmental Sciences & Ecology GA 438RQ UT WOS:000265573500002 ER PT J AU Plasynski, SI Litynski, JT McIlvried, HG Srivastava, RD AF Plasynski, S. I. Litynski, J. T. McIlvried, H. G. Srivastava, R. D. TI Progress and New Developments in Carbon Capture and Storage SO CRITICAL REVIEWS IN PLANT SCIENCES LA English DT Review DE carbon capture and storage; carbon dioxide capture; carbon dioxide storage in geologic formations; oil and gas reservoirs; saline formations; unmineable coal seams ID CHEMICAL-LOOPING-COMBUSTION; OXY-FUEL COMBUSTION; SEQUESTRATION-PARTNERSHIPS PROGRAM; ZEOLITIC IMIDAZOLATE FRAMEWORKS; METAL-ORGANIC FRAMEWORKS; RESEARCH-AND-DEVELOPMENT; CO2 CAPTURE; POWER-GENERATION; DIOXIDE SEPARATION; GEOLOGICAL FORMATIONS AB Growing concern over the impact on global climate change of the buildup of greenhouse gases (GHGs) in the atmosphere has resulted in proposals to capture carbon dioxide (CO2) at large point sources and store it in geologic formations, such as oil and gas reservoirs, unmineable coal seams, and saline formations, referred to as carbon capture and storage (CCS). There are three options for capturing CO2 from point sources: post-combustion capture, pre-combustion capture, and oxy-combustion. Several processes are available to capture CO2, and new or improved processes are under development. However, CO2 capture is the most expensive part of CCS, typically accounting for 75% of overall cost. CCS will benefit significantly from the development of a lower cost post-combustion CO2 capture process that can be retrofitted to existing power plants. Once captured, the CO2 is compressed to about 150 atm and pipelined at supercritical conditions to a suitable storage site. Oil and gas reservoirs, because they have assured seals and are well characterized, are promising early opportunity sites. Saline formations are much more extensive and have a huge potential storage capacity, but are much less characterized. Several commercial and a number of pilot CCS projects are underway around the world. Information from these projects will form the basis for the development of CCS as a climate change mitigation strategy. These projects are contributing to the development of suitable regulations, determining best operating practices, improving mathematical models, and providing information to the public and other stakeholders. Based on current knowledge, CCS appears to be a promising option for reducing GHG emissions. C1 [Plasynski, S. I.; Litynski, J. T.] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. [McIlvried, H. G.; Srivastava, R. D.] Sci Applicat Int Corp, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. RP Plasynski, SI (reprint author), US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. EM sean.plasynski@netl.doe.gov NR 131 TC 45 Z9 49 U1 10 U2 114 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 0735-2689 J9 CRIT REV PLANT SCI JI Crit. Rev. Plant Sci. PY 2009 VL 28 IS 3 BP 123 EP 138 AR PII 910294986 DI 10.1080/07352680902776440 PG 16 WC Plant Sciences SC Plant Sciences GA 434RP UT WOS:000265292100003 ER PT J AU Chatterjee, A Lal, R Wielopolski, L Martin, MZ Ebinger, MH AF Chatterjee, A. Lal, R. Wielopolski, L. Martin, M. Z. Ebinger, M. H. TI Evaluation of Different Soil Carbon Determination Methods SO CRITICAL REVIEWS IN PLANT SCIENCES LA English DT Review DE soil carbon; wet oxidation; dry combustion; inelastic neutron scattering; remote sensing; laser induced breakdown spectroscopy ID LOSS-ON-IGNITION; INFRARED REFLECTANCE SPECTROSCOPY; INDUCED BREAKDOWN SPECTROSCOPY; ORGANIC-MATTER CONTENT; WALKLEY-BLACK METHOD; DRY COMBUSTION; FOREST SOILS; NITROGEN; RECOVERY; QUANTIFICATION AB Determining soil carbon (C) with high precision is an essential requisite for the success of the terrestrial C sequestration program. The informed choice of management practices for different terrestrial ecosystems rests upon accurately measuring the potential for C sequestration. Numerous methods are available for assessing soil C. Chemical analysis of field-collected samples using a dry combustion method is regarded as the standard method. However, conventional sampling of soil and their subsequent chemical analysis is expensive and time consuming. Furthermore, these methods are not sufficiently sensitive to identify small changes over time in response to alterations in management practices or changes in land use. Presently, several different in situ analytic methods are being developed purportedly offering increased accuracy, precision and cost-effectiveness over traditional ex situ methods. We consider that, at this stage, a comparative discussion of different soil C determination methods will improve the understanding needed to develop a standard protocol. C1 [Chatterjee, A.; Lal, R.] Ohio State Univ, Carbon Management & Sequestrat Ctr, Columbus, OH 43210 USA. [Wielopolski, L.] Brookhaven Natl Lab, Dept Environm Sci, Upton, NY 11973 USA. [Martin, M. Z.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Ebinger, M. H.] Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA. RP Chatterjee, A (reprint author), Ohio State Univ, Carbon Management & Sequestrat Ctr, Columbus, OH 43210 USA. EM forestcarbon@gmail.com RI Martin, Madhavi/A-5268-2011; Lal, Rattan/D-2505-2013; Chatterjee, Amitava/E-5050-2013; OI Martin, Madhavi/0000-0002-6677-2180 NR 88 TC 52 Z9 59 U1 6 U2 76 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 0735-2689 J9 CRIT REV PLANT SCI JI Crit. Rev. Plant Sci. PY 2009 VL 28 IS 3 BP 164 EP 178 AR PII 910295161 DI 10.1080/07352680902776556 PG 15 WC Plant Sciences SC Plant Sciences GA 434RP UT WOS:000265292100005 ER PT J AU Cheng, ZM Tuskan, GA AF Cheng, Zong-Ming Tuskan, Gerald A. TI Populus Community Mega-Genomics: Coming of Age SO CRITICAL REVIEWS IN PLANT SCIENCES LA English DT Review ID PLANT BIOLOGY; SYSTEMS; TREE; TRICHOCARPA; GENES C1 [Cheng, Zong-Ming] Univ Tennessee, Dept Plant Sci, Knoxville, TN 37996 USA. [Tuskan, Gerald A.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Cheng, ZM (reprint author), Univ Tennessee, Dept Plant Sci, Knoxville, TN 37996 USA. EM zcheng@utk.edu; tuskanga@ornl.gov RI Tuskan, Gerald/A-6225-2011; OI Tuskan, Gerald/0000-0003-0106-1289; Cheng, Zong-Ming/0000-0002-1811-591X FU U. S. Department of Energy [AC05-00OR22725] FX The research in Tuskan's lab is funded by the U. S. Department of Energy, Office of Science, Bioenergy Science Center. ORNL is managed by UT-Battelle, LLC for the U. S. Department of Energy under contract no. DE-AC05-00OR22725. NR 17 TC 4 Z9 4 U1 0 U2 8 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 0735-2689 J9 CRIT REV PLANT SCI JI Crit. Rev. Plant Sci. PY 2009 VL 28 IS 5 BP 282 EP 284 DI 10.1080/07352680903240933 PG 3 WC Plant Sciences SC Plant Sciences GA 514TU UT WOS:000271419300002 ER PT J AU Yang, XH Kalluri, UC DiFazio, SP Wullschleger, SD Tschaplinski, TJ Cheng, ZM Tuskan, GA AF Yang, Xiaohan Kalluri, Udaya C. DiFazio, Stephen P. Wullschleger, Stan D. Tschaplinski, Timothy J. Cheng, (Max) Zong-Ming Tuskan, Gerald A. TI Poplar Genomics: State of the Science SO CRITICAL REVIEWS IN PLANT SCIENCES LA English DT Review DE Populus; genomics; bioinformatics; gene expression; protein; metabolomics; evolution; microRNA; microarray; gene family; systems biology ID EXPRESSED SEQUENCE TAGS; QUANTITATIVE TRAIT LOCI; MADS-BOX GENES; MELAMPSORA-LARICI-POPULINA; KUNITZ TRYPSIN-INHIBITOR; WIDE ANALYSIS; HYBRID POPLAR; ARABIDOPSIS-THALIANA; PHENOTYPIC VARIATION; LIGNIN BIOSYNTHESIS AB Recent advances in Populus genomics have greatly expanded its popularity as a reference for fundamental as well as applied research in woody plants. In this review, we provide an overview of the state-of-the-science in Populus genomics research, including experimental and computational genomics. We have surveyed and summarized the following: 1) pioneering as well as more recent reports of genetics- and genomics-based investigations in Populus, 2) the positive impact of technological improvements, 3) findings from phylogenetic analyses of gene families, and 4) genomic databases. In the area of Populus experimental genomics, genetic approaches have been advanced to the genome scale with resolution to the gene and/or single nucleotide level. On the other hand, the modern "omics" approaches have been successfully applied to analysis of gene function, such as transcriptome profiling using microarrays as well as the next-generation DNA sequencing technology, and characterization of proteome and metabolome using modern instruments. In the area of Populus computational genomics, significant progresses have been made in sequence-based discovery of predicted gene function, comparative analysis of gene families, development of genomic databases, and studies of the evolutionary dynamics at both the gene and genome level. While significant advancements have been achieved in Populus genome-based science, several challenges need to be addressed, such as 1) better annotation of the Populus genome, 2) robust technology for large-scale molecular profiling, 3) efficient system for genome-wide mutagenesis, and 4) high-performance computational pipelines to keep up with the pace of the rapid accumulation of data and to integrate "omics" data into functional systems biology platforms. C1 [Yang, Xiaohan; Kalluri, Udaya C.; Wullschleger, Stan D.; Tschaplinski, Timothy J.; Tuskan, Gerald A.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [DiFazio, Stephen P.] W Virginia Univ, Dept Biol, Morgantown, WV 26506 USA. [Cheng, (Max) Zong-Ming] Univ Tennessee, Dept Plant Sci, Knoxville, TN 37996 USA. RP Yang, XH (reprint author), Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA. EM yangx@ornl.gov RI KALLURI, UDAYA/A-6218-2011; Tuskan, Gerald/A-6225-2011; Wullschleger, Stan/B-8297-2012; Yang, Xiaohan/A-6975-2011 OI Tschaplinski, Timothy/0000-0002-9540-6622; Tuskan, Gerald/0000-0003-0106-1289; KALLURI, UDAYA/0000-0002-5963-8370; Cheng, Zong-Ming/0000-0002-1811-591X; Wullschleger, Stan/0000-0002-9869-0446; Yang, Xiaohan/0000-0001-5207-4210 FU U. S. Department of Energy; [DEAC05-00OR22725] FX We thank David J. Weston for the constructive comments on the manuscript and Tara A. Hall for assisting with proofreading. The writing of this review was supported by the BioEnergy Science Center (BESC), a U. S. Department of Energy Bioenergy Research Center supported by the Office of Biological and Environmental Research in the DOE Office of Science. Oak Ridge National Laboratory is managed by UT-Battelle, LLC for the U. S. Department of Energy under Contract Number DEAC05-00OR22725. NR 180 TC 26 Z9 32 U1 7 U2 35 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 520 CHESTNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA SN 0735-2689 EI 1549-7836 J9 CRIT REV PLANT SCI JI Crit. Rev. Plant Sci. PY 2009 VL 28 IS 5 BP 285 EP 308 DI 10.1080/07352680903241014 PG 24 WC Plant Sciences SC Plant Sciences GA 514TU UT WOS:000271419300003 ER PT J AU van der Lelie, D Taghavi, S Monchy, S Schwender, J Miller, L Ferrieri, R Rogers, A Wu, X Zhu, W Weyens, N Vangronsveld, J Newman, L AF van der Lelie, Daniel Taghavi, Safiyh Monchy, Sebastien Schwender, Jorg Miller, Lisa Ferrieri, Richard Rogers, Alistair Wu, Xiao Zhu, Wei Weyens, Nele Vangronsveld, Jaco Newman, Lee TI Poplar and its Bacterial Endophytes: Coexistence and Harmony SO CRITICAL REVIEWS IN PLANT SCIENCES LA English DT Review DE poplar; endophytic bacteria; plant growth promoting bacteria; phytohormones; biomass production; phytoremediation; carbon sequestration ID GROWTH-PROMOTING RHIZOBACTERIA; PSEUDOMONAS-CHLORORAPHIS O6; PINK SUGARCANE MEALYBUG; TRANSFORMED PEA ROOTS; X NIGRA DN34; PLANT-GROWTH; SYSTEMIC RESISTANCE; PHYTOREMEDIATION APPLICATIONS; STENOTROPHOMONAS-MALTOPHILIA; FILAMENTOUS HEMAGGLUTININ AB Associations between plants and microorganisms are very complex and are the subject of an increasing number of studies. Here, we specifically address the relationship between poplar and its endophytic bacteria. The role and importance of endophytic bacteria in growth and development of their host plants is still underestimated. However, since many endophytes have a beneficial effect on their host, an improved understanding of the interaction be-tween poplar and its endophytic bacteria has the potential to provide major breakthroughs that will improve the productivity of poplar. Endophytic bacteria can improve plant growth and development in a direct or indirect way. Direct plant growth promoting mechanisms may involve nitrogen fixation, production of plant growth regulators such as auxins, cytokinins and gibberellins, and suppression of stress ethylene synthesis by 1-aminocyclopropane-1- carboxylate (ACC) deaminase activity. Endophytic bacteria can indirectly benefit the plant by preventing the growth or activity of plant pathogens through competition for space and nutrients, antibiosis, production of hydrolytic enzymes, inhibition of pathogen-produced enzymes or toxins, and through systemic induction of plant defense mechanisms. Examples of applications for custom endophyte-host partnerships include improved productivity and establishment of poplar trees on marginal soils and the phytoremediation of contaminated soils and groundwater. A systems biology approach to understand the synergistic interactions between poplar and its beneficial endophytic bacteria represents an important field of research, which is facilitated by the recent sequencing of the genomes of poplar and several of its endophytic bacteria. C1 [van der Lelie, Daniel; Taghavi, Safiyh; Monchy, Sebastien; Schwender, Jorg; Wu, Xiao; Newman, Lee] Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. [Miller, Lisa] Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. [Ferrieri, Richard] Brookhaven Natl Lab, Dept Med, Upton, NY 11973 USA. [Rogers, Alistair] Brookhaven Natl Lab, Dept Environm Sci, Upton, NY 11973 USA. [Rogers, Alistair] Univ Illinois, Dept Crop Sci, Urbana, IL 61801 USA. [Wu, Xiao; Zhu, Wei] SUNY Stony Brook, Dept Appl Math & Stat, Stony Brook, NY 11794 USA. [Weyens, Nele; Vangronsveld, Jaco] Univ Hasselt, Dept Environm Biol, CMK, B-3590 Diepenbeek, Belgium. RP van der Lelie, D (reprint author), Brookhaven Natl Lab, Dept Biol, Bldg 463, Upton, NY 11973 USA. EM vdlelied@bnl.gov RI Rogers, Alistair/E-1177-2011; Schwender, Jorg/P-2282-2014 OI Rogers, Alistair/0000-0001-9262-7430; Schwender, Jorg/0000-0003-1350-4171 FU U. S. Department of Energy [DE-AC02-98CH10886]; Laboratory Directed Research and Development funds [LDRD05-063, LDRD09-005]; Brookhaven National Laboratory; IWT Belgium [08M03VGRJ] FX The research discussed in this manuscript was supported by the U. S. Department of Energy, Office of Science, BER, project number KP1102010 under contract DE-AC02-98CH10886, by Laboratory Directed Research and Development funds (LDRD05-063 and LDRD09-005) and by Royalty Funds at the Brookhaven National Laboratory under contract with the U. S. Department of Energy, and by the Methusalem project 08M03VGRJ. N.W. is presently supported by a Ph.D. grant of IWT Belgium. NR 110 TC 44 Z9 45 U1 4 U2 75 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 520 CHESTNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA SN 0735-2689 EI 1549-7836 J9 CRIT REV PLANT SCI JI Crit. Rev. Plant Sci. PY 2009 VL 28 IS 5 BP 346 EP 358 DI 10.1080/07352680903241204 PG 13 WC Plant Sciences SC Plant Sciences GA 514TU UT WOS:000271419300006 ER PT J AU Wullschleger, SD Weston, DJ Davis, JM AF Wullschleger, Stan D. Weston, David J. Davis, John M. TI Populus Responses to Edaphic and Climatic Cues: Emerging Evidence from Systems Biology Research SO CRITICAL REVIEWS IN PLANT SCIENCES LA English DT Review DE Environmental stress; forestry; genomics; molecular biology; nutrients; trees ID EXPRESSED SEQUENCE TAGS; MODEL FOREST TREE; DORMANCY INDUCTION; GENE-EXPRESSION; PLANT BIOLOGY; PHENOTYPIC VARIATION; TEMPERATURE STRESS; BLACK COTTONWOOD; POPLAR POPULUS; DROUGHT-STRESS AB The emergence of Populus as a model system for tree biology continues to be driven by a community of scientists dedicated to developing the resources needed to undertake genetic and functional genomic studies in this genus. As a result, understanding the molecular processes that underpin the growth and development of cottonwood, aspen, and hybrid poplar has steadily increased over the last several decades. Recently, our ability to examine the basic mechanisms whereby trees respond to a changing climate and resource limitations has benefited greatly from the sequencing of the P. trichocarpa genome. This landmark event has laid a solid foundation upon which biologists can now quantify, in breathtaking and unprecedented detail, the diversity of genes, proteins, and metabolites that govern the growth and development of some of the longest living and tallest growing organisms on Earth. Although the challenges likely to be encountered by scientists who work with trees are many, recent literature provides a few examples where a systems approach, one that focuses on integrating transcriptomic, proteomic, and metabolomic analyses, is beginning to provide insights into the molecular-scale response of poplars to their climatic and edaphic environment. In this review, our objectives are to look at evidence from studies that examine the molecular response of poplar to edaphic and climatic cues and highlight instances where two or more omic-scale measurements confirm and hopefully expand our inferences about mechanisms contributing to observed patterns of response. Based on conclusions drawn from these studies, we propose that three requirements will be essential as systems biology in poplar moves to reveal unique insights. These include use of genetically-defined individuals (e. g., pedigrees or transgenics) in studies; incorporation of modeling as a complement to transcriptomic, proteomic and metabolomic data; and inclusion of wholetree and stand-level phenotypes to place molecular-scale insights into a real-world context. C1 [Wullschleger, Stan D.; Weston, David J.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Davis, John M.] Univ Florida, Sch Forest Resources & Conservat, Gainesville, FL 32611 USA. RP Wullschleger, SD (reprint author), Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. EM wullschlegsd@ornl.gov RI Weston, David/A-9116-2011; Wullschleger, Stan/B-8297-2012 OI Weston, David/0000-0002-4794-9913; Wullschleger, Stan/0000-0002-9869-0446 FU U. S. Department of Energy (DOE) [DE-AC05-00OR22725] FX Support provided by the U. S. Department of Energy (DOE), Office of Science, Biological and Environmental Re-search (BER). Oak Ridge National Laboratory is managed by UT-Battelle, LLC, for the DOE under contract DE-AC05-00OR22725. NR 63 TC 11 Z9 11 U1 2 U2 15 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 0735-2689 J9 CRIT REV PLANT SCI JI Crit. Rev. Plant Sci. PY 2009 VL 28 IS 5 BP 368 EP 374 DI 10.1080/07352680903241246 PG 7 WC Plant Sciences SC Plant Sciences GA 514TU UT WOS:000271419300008 ER PT J AU Chen, F Liu, CJ Tschaplinski, TJ Zhao, N AF Chen, Feng Liu, Chang-Jun Tschaplinski, Timothy J. Zhao, Nan TI Genomics of Secondary Metabolism in Populus: Interactions with Biotic and Abiotic Environments SO CRITICAL REVIEWS IN PLANT SCIENCES LA English DT Review DE Populus; secondary metabolism; phytoalexin; defense priming; allelopathy; biosynthesis; genomics; metabolomics ID FOREST TENT CATERPILLARS; UV-B RADIATION; TRICHOCARPA X DELTOIDES; ELEVATED CARBON-DIOXIDE; HYBRID POPLAR CLONES; SALICYLIC-ACID; NUTRIENT AVAILABILITY; ULTRAVIOLET-B; PLANT DEFENSE; QUAKING ASPEN AB Populus trees face constant challenges from the environment during their life cycle. To ensure their survival and reproduction, Populus trees deploy various types of defenses, one of which is the production of a myriad of secondary metabolites. Compounds derived from the shikimate-phenylpropanoid pathway are the most abundant class of secondary metabolites synthesized in Populus. Among other major classes of secondary metabolites in Populus are terpenoids and fatty acid-derivatives. Some of the secondary metabolites made by Populus trees have been functionally characterized. Some others have been associated with certain biological/ecological processes, such as defense against insects and microbial pathogens or acclimation or adaptation to abiotic stresses. Functions of many Populus secondary metabolites remain unclear. The advent of various novel genomic tools will enable us to explore in greater detail the complexity of secondary metabolism in Populus. Detailed data mining of the Populus genome sequence can unveil candidate genes of secondary metabolism. Metabolomic analysis will continue to identify new metabolites synthesized in Populus. Integrated genomics that combines various 'omics' tools will prove to be the most powerful approach in revealing the molecular and biochemical basis underlying the biosynthesis of secondary metabolites in Populus. Characterization of the biological/ecological functions of secondary metabolites as well as their biosynthesis will provide knowledge and tools for genetically engineering the production of seconday metabolites that can lead to the generation of novel, improved Populus varieties. C1 [Chen, Feng; Zhao, Nan] Univ Tennessee, Dept Plant Sci, Knoxville, TN 37996 USA. [Liu, Chang-Jun] Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. [Tschaplinski, Timothy J.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Chen, F (reprint author), Univ Tennessee, Dept Plant Sci, Knoxville, TN 37996 USA. EM fengc@utk.edu OI Tschaplinski, Timothy/0000-0002-9540-6622 FU DOE [DEAC0298CH10886]; Tennessee Agricultural Experiment Station; DOE-USDA [Bo-135]; U. S. Dept. of Energy [DE-AC05-00OR22725] FX The Populus research in F. Chen's lab is partly supported by the DOE Office Biological and Environmental Research (BER)-Genome to Life Program through the BioEnergy Science Center (BESC), and by Tennessee Agricultural Experiment Station. Work in C.J. Liu's lab was supported by the DOE-USDA joint Plant Feedstock Genomics Program (Project no: Bo-135) from BER and by the grant from Office of Basic Energy Science of DOE (DEAC0298CH10886). T.J. Tschaplinski was supported by the Office of Biological and Environmental Research of the U. S. Dept. of Energy. Oak Ridge National Laboratory is managed by UT-Battelle, LLC, for the U. S. Dept. of Energy under contract DE-AC05-00OR22725. The authors would also like to acknowledge Mark Schuster for his assistance in preparation of Figure 2. NR 169 TC 33 Z9 35 U1 12 U2 95 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA SN 0735-2689 EI 1549-7836 J9 CRIT REV PLANT SCI JI Crit. Rev. Plant Sci. PY 2009 VL 28 IS 5 BP 375 EP 392 DI 10.1080/07352680903241279 PG 18 WC Plant Sciences SC Plant Sciences GA 514TU UT WOS:000271419300009 ER PT J AU Lorenz, AJ Coors, JG de Leon, N Wolfrum, EJ Hames, BR Sluiter, AD Weimer, PJ AF Lorenz, A. J. Coors, J. G. de Leon, N. Wolfrum, E. J. Hames, B. R. Sluiter, A. D. Weimer, P. J. TI Characterization, Genetic Variation, and Combining Ability of Maize Traits Relevant to the Production of Cellulosic Ethanol SO CROP SCIENCE LA English DT Article ID FIBER; SELECTION; BIOFUELS; QUALITY; BIOMASS; SILAGE; YIELD; POPULATIONS; RESIDUES; ALFALFA AB Maize (Zea mays L.) stover has been identified as an important feedstock for the production of cellulosic ethanol. Our objectives were to measure hybrid effect and combining ability patterns of traits related to cellulosic ethanol production, determine if germplasm and mutations used for silage production would also be beneficial for feedstock production, and examine relationships between traits that are relevant to selective breeding. We evaluated grain hybrids, germplasm bred for silage production, brown-midrib hybrids, and a leafy hybrid. Yield and composition traits were measured in four environments. There was a 53% difference in stover yield between commercial grain hybrids that were equivalent for other production-related traits. Silage germplasm may be useful for increasing stover yield and reducing lignin concentration. We found much more variation among hybrids than either in vitro ruminal fermentability or polysaccharide concentration. Correlations between traits were mostly favorable or nonexistent. Our results suggest that utilizing standing genetic variation of maize in breeding programs could substantially increase the amount of biofuels produced from stover per unit area of land. C1 [Lorenz, A. J.; Coors, J. G.; de Leon, N.] Univ Wisconsin, Dept Agron, Madison, WI 53706 USA. [Wolfrum, E. J.; Sluiter, A. D.] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Hames, B. R.] Ceres Inc, Thousand Oaks, CA 91320 USA. [Weimer, P. J.] USDA ARS, US Dairy Forage Res Ctr, Madison, WI 53706 USA. RP Lorenz, AJ (reprint author), Univ Wisconsin, Dept Agron, 1575 Linden Dr, Madison, WI 53706 USA. EM alorenz@wisc.edu OI Wolfrum, Edward/0000-0002-7361-8931 FU USDA and DOE [144-144NR81] FX The authors would like to thank Dustin Eilert alld Pat Flannery for their technical assistance. This work was supported by the USDA and DOE grant Integrated Feedstock Supply Systems for Corn Stover Biomass (grant no. 144-144NR81). NR 42 TC 50 Z9 50 U1 2 U2 12 PU CROP SCIENCE SOC AMER PI MADISON PA 677 S SEGOE ROAD, MADISON, WI 53711 USA SN 0011-183X J9 CROP SCI JI Crop Sci. PD JAN-FEB PY 2009 VL 49 IS 1 BP 85 EP 98 DI 10.2135/cropsci2008.06.0306 PG 14 WC Agronomy SC Agriculture GA 407DR UT WOS:000263344300010 ER PT J AU Gu, ZJ Liu, F Howe, JY Paranthaman, MP Pan, ZW AF Gu, Zhanjun Liu, Feng Howe, Jane Y. Paranthaman, M. Parans Pan, Zhengwei TI Three-Dimensional Germanium Oxide Nanowire Networks SO CRYSTAL GROWTH & DESIGN LA English DT Article ID ONE-DIMENSIONAL NANOSTRUCTURES; SEMICONDUCTOR NANOWIRES; THERMAL EVAPORATION; CONTROLLED GROWTH; GEO2; CRYSTALLINE; ZNO; NANOCRYSTALS; NANOBELTS; CATALYST AB Three-dimensional (3D) GeO(2) nanowire networks were fabricated by using germanium as both a Source material and catalyst in an oxygen-rich growth environment. The branches within one network show very regular orientation relationships: either perpendicular or parallel to each other. The nanowires follow a base-growth model and the growth direction is along < 110 >. The GeO(2) nanowire networks exhibit strong violet emission peaked at 404 nm under a 265 nm UV light excitation. C1 [Gu, Zhanjun; Liu, Feng; Pan, Zhengwei] Univ Georgia, Fac Engn, Athens, GA 30602 USA. [Gu, Zhanjun; Liu, Feng; Pan, Zhengwei] Univ Georgia, Dept Phys & Astron, Athens, GA 30602 USA. [Howe, Jane Y.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Paranthaman, M. Parans] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Pan, ZW (reprint author), Univ Georgia, Fac Engn, Athens, GA 30602 USA. EM panz@uga.edu RI Gu, Zhanjun/A-7592-2013; Howe, Jane/G-2890-2011; Paranthaman, Mariappan/N-3866-2015; OI Gu, Zhanjun/0000-0003-3717-2423; Paranthaman, Mariappan/0000-0003-3009-8531; Pan, Zhengwei/0000-0002-3854-958X FU University of Georgia Research Foundation; US Office of Naval Research [N004315578]; Oak Ridge National Laboratory (ORNL); U.S. Department of Energy; Office of Basic Energy Sciences - Division of Materials Sciences and Engineering (DMSE); Division of Scientific User Facilities FX This work was supported by the University of Georgia Research Foundation, the US Office of Naval Research (under contract No. N004315578), and the Oak Ridge National Laboratory (ORNL). The research in ORNL was conducted through the support from the U.S. Department of Energy, Office of Basic Energy Sciences - Division of Materials Sciences and Engineering (DMSE). The TEM characterization work of this research was conducted at the ORNL's SHaRE User Facility, which is sponsored by the Division of Scientific User Facilities, Office of Basic Energy Sciences, U.S. Department of Energy. NR 35 TC 17 Z9 18 U1 2 U2 19 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1528-7483 J9 CRYST GROWTH DES JI Cryst. Growth Des. PD JAN PY 2009 VL 9 IS 1 BP 35 EP 39 DI 10.1021/cg8010986 PG 5 WC Chemistry, Multidisciplinary; Crystallography; Materials Science, Multidisciplinary SC Chemistry; Crystallography; Materials Science GA 392WK UT WOS:000262332700009 ER PT J AU Sukumar, N Mathews, FS Gordon, MM Ealick, SE Alpers, DH AF Sukumar, N. Mathews, F. S. Gordon, M. M. Ealick, S. E. Alpers, D. H. TI Postcrystallization Analysis of the Irreproducibility of the Human Intrinsic Factor-Cobalamin Complex Crystals SO CRYSTAL GROWTH & DESIGN LA English DT Article ID PROTEIN; CRYSTALLIZATION; VITAMIN-B-12; RESOLUTION; EXPRESSION AB Approximately 15% (w/w) of human intrinsic factor (IF) is comprised of carbohydrate side chains, making crystallization problematic. In addition, IF is sensitive to proteolysis. To understand the role of these factors in crystallization, we carried out dynamic light scattering studies and assessed their correlation with crystallization. The packing of the IF-cobalamin complex and the known properties of the protein in solution were also analyzed to explore the irreproducibility of the IF-cobalamin complex crystals and the difficulty in obtaining apo-IF crystals suitable for crystallographic analysis. The results indicate that although glycosylation may in general be inhibitory for crystallization, time-dependent proteolysis appears to play a much more important role in the process of crystallization of IF. Thus, the presence of cobalamin and of domain fragments that can form incomplete dimers lacking one of two P-domains appears to promote the crystallization of IF. C1 [Sukumar, N.; Ealick, S. E.] Argonne Natl Lab, NE CAT, Argonne, IL 60439 USA. [Mathews, F. S.] Washington Univ, Sch Med, Dept Biochem & Mol Biophys, St Louis, MO 63110 USA. [Gordon, M. M.; Alpers, D. H.] Washington Univ, Sch Med, Div Gastroenterol, St Louis, MO 63110 USA. [Ealick, S. E.] Cornell Univ, Dept Chem & Chem Biol, Ithaca, NY 14853 USA. RP Sukumar, N (reprint author), Argonne Natl Lab, NE CAT, Bldg 436,9700 S Cass Ave, Argonne, IL 60439 USA. EM sukumar@aps.anl.gov FU NE-CAT facility at the Advanced Photon Source (APS); National Center for Research Resources at the National Institutes of Health (NIH) [RR-15301]; NIH [DK-33487, DK-56342, GM20530]; U.S. Department of Energy; Office of Science; Office of Basic Energy Science [DE-AC02-06CH11357] FX This work was carried out at the NE-CAT facility at the Advanced Photon Source (APS), supported by Grant RR-15301 from the National Center for Research Resources at the National Institutes of Health (NIH) and Grants DK-33487 (D.H.A.), DK-56342 (D.H.A.), and GM20530 (F.S.M.) from the NIH. Use of the APS is supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Science, under Contract DE-AC02-06CH11357. NR 24 TC 2 Z9 2 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1528-7483 J9 CRYST GROWTH DES JI Cryst. Growth Des. PD JAN PY 2009 VL 9 IS 1 BP 348 EP 351 DI 10.1021/cg800509f PG 4 WC Chemistry, Multidisciplinary; Crystallography; Materials Science, Multidisciplinary SC Chemistry; Crystallography; Materials Science GA 392WK UT WOS:000262332700054 PM 19884970 ER PT J AU Gu, ZJ Paranthaman, MP Pan, ZW AF Gu, Zhanjun Paranthaman, M. Parans Pan, Zhengwei TI Vapor-Phase Synthesis of Gallium Phosphide Nanowires SO CRYSTAL GROWTH & DESIGN LA English DT Article ID SEMICONDUCTOR NANOWIRES; MOLTEN GALLIUM; GAP; GROWTH; OXIDE AB Gallium phosphide (GaP) nanowires were synthesized in a high yield by vapor-phase reaction of gallium vapor and phosphorus vapor at 1150 degrees C in a tube furnace system. The nanowires have diameters in the range of 25-100 nm and lengths of Lip to tens of micrometers. Twinning growth occurs in GaP nanowires, and as a result most nanowires contain a high density of twinning faults. Novel necklacelike GaP nanostructures that were formed by stringing tens of amorphous Ga-P-O microbeads upon one crystalline GaP nanowires were also found in some synthesis runs. This simple vapor-phase approach may be applied to synthesize other important group III-V compound nanowires. C1 [Gu, Zhanjun; Pan, Zhengwei] Univ Georgia, Fac Engn, Athens, GA 30602 USA. [Gu, Zhanjun; Pan, Zhengwei] Univ Georgia, Dept Phys & Astron, Athens, GA 30602 USA. [Paranthaman, M. Parans] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Pan, ZW (reprint author), Univ Georgia, Fac Engn, Athens, GA 30602 USA. EM panz@uga.edu RI Gu, Zhanjun/A-7592-2013; Paranthaman, Mariappan/N-3866-2015 OI Gu, Zhanjun/0000-0003-3717-2423; Paranthaman, Mariappan/0000-0003-3009-8531 FU University of Georgia Research Foundation; U.S. Office of Naval Research [N004315578]; Oak Ridge National Laboratory (ORNL) FX This work was supported by the University of Georgia Research Foundation, the U.S. Office of Naval Research (under Contract No. N004315578), and the Oak Ridge National Laboratory (ORNL). The research in ORNL was conducted through the support from the U.S. Department of Energy, Office of Basic Energy Sciences - Division of Materials Sciences and Engineering. NR 12 TC 23 Z9 23 U1 0 U2 10 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1528-7483 J9 CRYST GROWTH DES JI Cryst. Growth Des. PD JAN PY 2009 VL 9 IS 1 BP 525 EP 527 DI 10.1021/cg8008305 PG 3 WC Chemistry, Multidisciplinary; Crystallography; Materials Science, Multidisciplinary SC Chemistry; Crystallography; Materials Science GA 392WK UT WOS:000262332700081 ER PT J AU Piccoli, PMB Schultz, AJ Sparkes, HA Howard, JAK Arif, AM Dawe, LN Miller, JS AF Piccoli, Paula M. B. Schultz, Arthur J. Sparkes, Hazel A. Howard, Judith A. K. Arif, Atta M. Dawe, Louise N. Miller, Joel S. TI [MeNC5H5](2)[TCNE](2) (TCNE = tetracyanoethylene). Single crystal X-ray and neutron diffraction characterization of an exceptionally long 2.8 angstrom C-C bond SO CRYSTENGCOMM LA English DT Article ID SOLID-STATE; HYDROGEN; DIMER; 2-ELECTRON; VAN AB The reaction of N-methylpyridinium iodide, Mepy(+)I(-), and tetracyanoethylene (TCNE) forms [Mepy](2)[TCNE](2), which possesses [TCNE](2)(2-) with an intradimer C-C bond distance of 2.806(1) angstrom at 50 K from X-ray diffraction, and 2.801(4) angstrom at 50 K from neutron diffraction. In the IR it exhibits v(C N) absorptions at 2191, 2174, 2169, 2163 and a v(CC) absorption at 1366 cm(-1), with UV/Vis absorption bands at 26,880 and 18,520 cm(-1). Analysis of the cation-hydrogen to [TCNE](2)(2-) interactions do not provide evidence that the cation stabilizes formation of the [TCNE](2)(2-) dimer, which is stabilized by the intradimer 2e(-)-4 center C-C bonding interaction. C1 [Arif, Atta M.; Dawe, Louise N.; Miller, Joel S.] Univ Utah, Dept Chem, Salt Lake City, UT 84112 USA. [Piccoli, Paula M. B.; Schultz, Arthur J.] Argonne Natl Lab, Intense Pulsed Neutron Source, Argonne, IL 60439 USA. [Sparkes, Hazel A.; Howard, Judith A. K.] Univ Durham, Dept Chem, Durham DH1 3LE, England. RP Miller, JS (reprint author), Univ Utah, Dept Chem, 315 S 1400 E RM 2124, Salt Lake City, UT 84112 USA. EM jsmiller@chem.utah.edu RI Howard, Judith /H-7113-2012 FU NSF [CHE0110685]; DOE [DE FG 03-93ER45504, DE-AC02-06CH11357]; EPSRC [EP/E048994/1] FX The authors gratefully acknowledge the discussions with Juan J. Novoa (University of Barcelona), and sample preparation by Michelle L. Taliaferro and Joshua Bell, and the support from the NSF (Grant No. CHE0110685), the DOE (Grant No. DE FG 03-93ER45504). Work at Argonne was supported by the US Department of Energy, BES-Materials Science, under Contract DE-AC02-06CH11357. J. A. K. H. and H. A. S. are grateful to the EPSRC for funding (EP/E048994/1) and Durham University for facilities. NR 27 TC 9 Z9 9 U1 1 U2 12 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1466-8033 J9 CRYSTENGCOMM JI Crystengcomm PY 2009 VL 11 IS 4 BP 686 EP 690 DI 10.1039/b816817b PG 5 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA 423VO UT WOS:000264524000027 ER PT S AU Oreopoulos, L Mlawer, E Delamere, J Shippert, T AF Oreopoulos, Lazaros Mlawer, Eli Delamere, Jennifer Shippert, Timothy BE Nakajima, T Yamasoe, MA TI The Continual Intercomparison of Radiation Codes (CIRC): A New Standard for Evaluating GCM Radiation Codes SO CURRENT PROBLEMS IN ATMOSPHERIC RADIATION (IRS 2008) SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Radiation Symposium (IRC/IAMAS) CY AUG 03-08, 2008 CL Foz do Iguacu, BRAZIL SP Coordinat Improve Higher Educat Personnel, Ctr Climate Syst Res, Natl Council Sci & Technol Dev, EKO Instruments, Sao Paulo St Res Support Fdn, Natl Inst Sp Res, Itaipu Binatl, Japan Aerosp Explorat Agcy, Kipp & Zonen, NASA, Univ Sao Paulo, Grad Prorectorate DE radiative transfer; line-by-line; absorption; scattering; intercomparison; GCM ID MODEL AB The Continual Intercomparison of Radiation Codes (CIRC) is intended as an evolving and regularly updated permanent reference source for GCM-type radiative transfer (R-F) code evaluation that will help in the improvement of radiation parameterizations. CIRC seeks to establish itself as the standard against which code performance is documented in scientific publications and coordinated joint modeling activities such as GCM intercomparisons. A feature that distinguishes CIRC from previous intercomparisons is that its pool of cases is largely based on observations. Atmospheric and surface input, as well as radiative fluxes used for consistency checks with the reference line-by-line calculations come primarily from the Atmospheric Radiation Measurement (ARM) Climate Research Facility measurements and satellite observations compiled in the Broadband Heating Rate Profile (BBHRP) product. Additional datasets beyond BBHRP such as measurements from ARM Field campaigns and spectral radiances from the AERI instrument are also used to complete the set of desired cases and to ensure the quality of the input. For Phase I, launched in June, CIRC aims to assess the baseline errors of GCM RT codes and therefore provides test cases that evaluate performance under the least challenging conditions, i.e, well-understood clear-sky and homogeneous, single-layer overcast liquid cloud cases. C1 [Oreopoulos, Lazaros] Univ Maryland Baltimore Cty, JCET, Baltimore, MD 21228 USA. [Oreopoulos, Lazaros] NASA Goddard Space Flight Ctr, Lab Atomspheres, Greenbelt, MD USA. [Mlawer, Eli; Delamere, Jennifer] Atmospheric & Environ Res Inc, Lexington, MA USA. [Shippert, Timothy] Pacific Northwest Natl Lab, Richland, WA USA. RP Oreopoulos, L (reprint author), Univ Maryland Baltimore Cty, JCET, Baltimore, MD 21228 USA. RI Oreopoulos, Lazaros/E-5868-2012 OI Oreopoulos, Lazaros/0000-0001-6061-6905 FU U.S. DOE, Office of Science, Office of BER, Environmental Sciences Division as part of the ARM program [DE-FG-02-07ER64354] FX We gratefully acknowledge support from the U.S. DOE, Office of Science, Office of BER, Environmental Sciences Division as part of the ARM program under grant DE-FG-02-07ER64354. NR 6 TC 0 Z9 0 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0635-3 J9 AIP CONF PROC PY 2009 VL 1100 BP 73 EP + PG 2 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA BJG63 UT WOS:000265672300018 ER PT S AU Dix, B Barnard, JC Volkamer, R AF Dix, B. Barnard, J. C. Volkamer, R. BE Nakajima, T Yamasoe, MA TI Implications of the In-Situ Measured Mass Absorption Cross Section of Organic Aerosols in Mexico City on the Atmospheric Energy Balance, Satellite Retrievals, and Photochemistry SO CURRENT PROBLEMS IN ATMOSPHERIC RADIATION (IRS 2008) SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Radiation Symposium (IRC/IAMAS) CY AUG 03-08, 2008 CL Foz do Iguacu, BRAZIL SP Coordinat Improve Higher Educat Personnel, Ctr Climate Syst Res, Natl Council Sci & Technol Dev, EKO Instruments, Sao Paulo St Res Support Fdn, Natl Inst Sp Res, Itaipu Binatl, Japan Aerosp Explorat Agcy, Kipp & Zonen, NASA, Univ Sao Paulo, Grad Prorectorate DE aerosol direct effect; atmospheric chemistry and physics; organic aerosol; mass absorption cross section; photochemistry; single scattering albedo; satellites; trace gases; air mass factor ID RADIATIVE-TRANSFER AB The absorption of short wave incoming solar radiation by the organic component of aerosols has been examined by using data from the MCMA-2003 and the 2006 MILAGRO field campaigns. Both field efforts took place in and around Mexico City. Single Scattering Albedo (SSA) was derived as a function of wavelength (300 - 870 nm) by combining irradiance measurements from a Multi-Filter Rotating Shadowband Radiometer (MFRSR) and spectrally resolved actinic flux measurements by spectroradiometry with a radiative transfer model (TUV). In addition, organic aerosol mass measured by a surface deployed acrodyne aerosol mass spectrometer was used to estimate the Mass Absorption Cross-section (MAC) of Organic Carbon (OC). It was found that the MAC for OC is about 10.5 m(2)/g at 300 nm and falls close to zero at about 500 nm; these values are roughly consistent with previous MAC estimates of OC, and present first in-situ observations of this quantity. Here, the aerosol direct effect of light absorbing OC is discussed in terms of its impact on the atmospheric energy balance, on satellite retrievals of trace gases, and on photochemistry. It is found that OC adds significantly to the solar heating rates of black carbon (BC) alone; the heating from BC + OC is about 40% higher than the BC only case in Mexico City. This additional heating is not yet included in estimates oil the aerosol direct effect of the IPCC 2007 report. In polluted urban atmospheres, where OC is particularly abundant, the need to include the high MAC values in radiative transfer calculations that underlie quantitative satellite retrievals or trace gases is assessed. It is demonstrated that trace gas columns can be underestimated up to a factor of three when neglecting the additional light absorption by OC. This applies to all trace gases that absorb light at wavelengths shorter than 420 nm, such as HCHO, SO2, HONO and possibly NO2, if evaluated below 420 nm. The implications for the interpretation of satellite data arc twofold: (1) the presence of OC has potential to alter the emissions inferred from satellite retrievals, and (2) aerosol and trace gas retrievals are coupled quantities, and changes in OC may bias long-term trends of pollutant concentrations. Finally, most photochemical reactions are driven by photons with wavelengths less than 400 nm. Light absorbing OC hence selectively reduces the light reaching the ground at those wavelengths that drive photochemical reactions. OC effectively slows down the rate of formation of secondary pollutants like ozone and secondary organic aerosol, which also affects the management of air resources. C1 [Dix, B.; Volkamer, R.] Univ Colorado, Boulder, CO 80309 USA. [Barnard, J. C.] Pacific Northwest Natl Lab, Richland, WA USA. RP Dix, B (reprint author), Univ Colorado, Boulder, CO 80309 USA. RI Volkamer, Rainer/B-8925-2016 OI Volkamer, Rainer/0000-0002-0899-1369 FU CU Boulder start-up funds; US Department of Energy's Atmospheric Science Program (ASP) [DE-AC06-76RLO 1830] FX This work was supported by CU Boulder start-up funds provided by the Department of Chemistry and Biochemistry, University of Colorado, Boulder, CO, USA. Dr. Barnard's contribution was sponsored by the US Department of Energy's Atmospheric Science Program (ASP) under Contract DE-AC06-76RLO 1830 at Pacific Northwest National Laboratory. Pacific Northwest National Laboratory is operated for the US Department of Energy by Battelle Memorial Institute. NR 10 TC 0 Z9 0 U1 0 U2 1 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0635-3 J9 AIP CONF PROC PY 2009 VL 1100 BP 161 EP + PG 2 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA BJG63 UT WOS:000265672300039 ER PT S AU Kassianov, E Ovtchinnikov, M Berg, LK McFarlane, SA Flynn, C AF Kassianov, Evgueni Ovtchinnikov, Mikhail Berg, Larry K. McFarlane, Sally A. Flynn, Connor BE Nakajima, T Yamasoe, MA TI A New Retrieval of Aerosol Optical Depth under Partly Cloudy Conditions with Multi-Spectral Measurements of Reflectance SO CURRENT PROBLEMS IN ATMOSPHERIC RADIATION (IRS 2008) SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Radiation Symposium (IRC/IAMAS) CY AUG 03-08, 2008 CL Foz do Iguacu, BRAZIL SP Coordinat Improve Higher Educat Personnel, Ctr Climate Syst Res, Natl Council Sci & Technol Dev, EKO Instruments, Sao Paulo St Res Support Fdn, Natl Inst Sp Res, Itaipu Binatl, Japan Aerosp Explorat Agcy, Kipp & Zonen, Natl Aeronaut & Space Administrat, Univ Sao Paulo, Grad Prorectorate DE Continental cumulus clouds; aerosol optical depth; multi-spectral reflectance ID PRODUCTS; MODIS; OCEAN AB Estimating the aerosol optical depth (AOD) in the vicinity of clouds is a long-standing problem. A few recent Studies have provided important demonstration of how three-dimensional (3D) effects can increase substantially the clear sky reflectance and, therefore, lead to significant overestimation (up to 140%) of AOD. We first assess the importance of the 3D cloud effects oil the reflectance ratios for pixels located far away from clouds and their shadows (clear pixels) and show that for clear pixels the reflectance ratios for two pairs of wavelengths (660, 470 nm and 870. 470 nm) are less sensitive to the 31) Cloud effects than the reflectances themselves. We also propose an approach for converting reflectance ratios to the AOD for the clear pixels. Finally, we use Monte Carlo radiative transfer calculations and 3D fields of cumulus clouds and aerosol generated by a large eddy simulation (LES) model to illustrate the performance of the retrieval with the model-output inverse problem. Results of the model-inverse problem suggest that the ratio method has capability to (i) detect clear pixels outside of cloud shadows and (ii) estimate AOD for the majority of them quite accurately (similar to 15%). C1 [Kassianov, Evgueni; Ovtchinnikov, Mikhail; Berg, Larry K.; McFarlane, Sally A.; Flynn, Connor] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Kassianov, E (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. RI Berg, Larry/A-7468-2016 OI Berg, Larry/0000-0002-3362-9492 NR 8 TC 0 Z9 0 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0635-3 J9 AIP CONF PROC PY 2009 VL 1100 BP 263 EP 266 PG 4 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA BJG63 UT WOS:000265672300064 ER PT S AU Kassianov, E Berg, LK McFarlane, SA Flynn, C Turner, D AF Kassianov, Evgueni Berg, Larry K. McFarlane, Sally A. Flynn, Connor Turner, David BE Nakajima, T Yamasoe, MA TI Long-term Statistics of Continental Cumuli: Does Aerosol Trigger Cumulus Variability? SO CURRENT PROBLEMS IN ATMOSPHERIC RADIATION (IRS 2008) SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Radiation Symposium (IRC/IAMAS) CY AUG 03-08, 2008 CL Foz do Iguacu, BRAZIL SP Coordinat Improve Higher Educat Personnel, Ctr Climate Syst Res, Natl Council Sci & Technol Dev, EKO Instruments, Sao Paulo St Res Support Fdn, Natl Inst Sp Res, Itaipu Binatl, Japan Aerosp Explorat Agcy, Kipp & Zonen, NASA, Univ Sao Paulo, Grad Prorectorate DE Continental cumulus clouds; aerosol loading; surface and satellite observations ID CLOUD; SITE AB The objective of this study is to investigate, by observational means, the magnitude and sign of relationship between cloud properties and aerosol loading. Ground-based measurements at the Atmospheric Radiation Measurement (ARM) Climate Research Facility (ACRF) Southern Great Plains (SGP) site form the basis of this study. The relationship is investigated using an 8-year dataset (from 2000 to 2007) of fair-weather cumuli (FWC) and mostly non-absorbing aerosols. The surface data are accompanied by a 6-year cloud product (2002-2007) from available collocated and coincident Terra/Aqua satellite observations. Thermodynamical, meteorological and radiative parameters also are included in our statistical analysis. The overall assessment indicates that the strong variability of FWC properties over this region may not necessarily be associated with aerosol loading. Also, we demonstrate that the sizes of many cumulus clouds are smaller or comparable to 1-km resolution of the satellite cloud product. Therefore, the uncertainties for satellite retrievals may be substantial and satellite-derived statistics of cumulus clouds should be used with caution. C1 [Kassianov, Evgueni; Berg, Larry K.; McFarlane, Sally A.; Flynn, Connor] Pacific Northwest Natl Lab, Richland, WA 99352 USA. [Turner, David] Univ Wisconsin, SSEC, Madison, WI 53706 USA. RP Kassianov, E (reprint author), Pacific Northwest Natl Lab, Richland, WA 99352 USA. RI Berg, Larry/A-7468-2016 OI Berg, Larry/0000-0002-3362-9492 FU Office of Biological and Environmental Research of the US. Depanmem or Energy ,Atmospheric Radiation Measurement (ARM) Program FX This work was supported by the Office of Biological and Environmental Research of the US. Depanmem or Energy as part of the Atmospheric Radiation Measurement (ARM) Program. NR 14 TC 0 Z9 0 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0635-3 J9 AIP CONF PROC PY 2009 VL 1100 BP 470 EP + PG 2 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA BJG63 UT WOS:000265672300115 ER PT S AU Kassianov, E McFarlane, SA Barnard, J Flynn, C Slingo, A Bharmal, N Robinson, G Turner, D Miller, MD Ackerman, T Miller, R AF Kassianov, Evgueni McFarlane, Sally A. Barnard, James Flynn, Connor Slingo, Anthony Bharmal, Nazim Robinson, Gary Turner, David Miller, Mark D. Ackerman, Thomas Miller, Ron BE Nakajima, T Yamasoe, MA TI International RADAGAST Experiment in Niamey, Niger: Changes and Drivers of Atmospheric Radiation Balance SO CURRENT PROBLEMS IN ATMOSPHERIC RADIATION (IRS 2008) SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Radiation Symposium (IRC/IAMAS) CY AUG 03-08, 2008 CL Foz do Iguacu, BRAZIL SP Coordinat Improve Higher Educat Personnel, Ctr Climate Syst Res, Natl Council Sci & Technol Dev, EKO Instruments, Sao Paulo St Res Support Fdn, Natl Inst Sp Res, Itaipu Binatl, Japan Aerosp Explorat Agcy, Kipp & Zonen, NASA, Univ Sao Paulo, Grad Prorectorate DE Aerosol properties; radiative fluxes; satellite and surface observations AB Recently, the unique capabilities of the African Monsoon Multidisciplinary Analysis (AMMA) Experiment, the Atmospheric Radiation Measurement (ARM) Mobile Facility (AMF), the Geostationary Earth Radiation Budget (GERB) instrument, and the Spinning Enhanced Visible and Infrared Imager (SEVIRI) were combined effectively as part of a large international project: the Radiative Atmospheric Divergence using AMF, GERB data and AMMA Stations (RADAGAST), which took place in Niamey, Niger, in 2006. Important objectives of RADAGAST include (1) estimates of the radiative fluxes and divergence across the atmosphere, and (2) analysis of related meteorological and thermodynamical variables. In this study, we outline results of this project. Also, we show retrievals of aerosol properties from spectrally resolved solar measurements, the Simulated and observed radiative fluxes at the surface, and outline factors that control the magnitude and variability of aerosol and radiative properties. C1 [Kassianov, Evgueni; McFarlane, Sally A.; Barnard, James; Flynn, Connor] Pacific NorthWest Natl Lab, Richland, WA 99352 USA. [Slingo, Anthony; Bharmal, Nazim; Robinson, Gary] Univ Reading, ESSC, Reading, Berks RG6 6AL, England. [Turner, David] Univ Wisconsin Madison, SSEC, Madison, WI 53706 USA. [Miller, Mark D.] Rutgers State Univ, New Brunswick, NJ 08901 USA. [Ackerman, Thomas] Univ Washington, Seattle, WA 98195 USA. [Miller, Ron] NASA, Goddard Inst Space Studies, New York, NY 10025 USA. RP Kassianov, E (reprint author), Pacific NorthWest Natl Lab, Richland, WA 99352 USA. FU Office of Biological and Environmental Research of the U.S. Department of Energy as part of the Atmospheric Radiation Measurement (ARM) Program FX This work was supported by the Office of Biological and Environmental Research of the U.S. Department of Energy as part of the Atmospheric Radiation Measurement (ARM) Program. NR 11 TC 0 Z9 0 U1 0 U2 1 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0635-3 J9 AIP CONF PROC PY 2009 VL 1100 BP 537 EP + PG 2 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA BJG63 UT WOS:000265672300131 ER PT S AU Lambregts, MJ AF Lambregts, Marsha J. BE Zeisler, R Unlu, K HellerZeisler, S TI Update on DOE's Nuclear Energy University Program SO CURRENT STATUS, TRENDS, AND NEEDS IN RADIOCHEMICAL EDUCATION: THE US AND ABROAD SE AIP Conference Proceedings LA English DT Proceedings Paper CT 8th International Conference on Methods and Applications of Radioanalytical Chemistry CY APR 05-10, 2009 CL Kona, HI SP Amer Nucl Soc DE nuclear; university; fuel cycle; Generation IV; hydrogen; plutonium; research AB The Nuclear Energy University Program (NEUP) Office assists the U.S. Department of Energy Office of Nuclear Energy (DOE-NE) by administering its University Program. To promote accountable relationships between universities and the Technical Integration Offices (TIOS)/Technology Development Offices (TDOs), a process was designed and administered which includes two competitive Requests for Proposals (RFPs) and two Funding Opportunity Announcements (FOAs) in the following areas: (1) Research and Development (R&D) Grants, (2) Infrastructure improvement, and (3) Scholarships and Fellowships. NEUP will also host periodic reviews of university mission-specific R&D that document progress, reinforce accountability, and assess return on investment; sponsor workshops that inform universities of the Department's research needs to facilitate continued alignment of university R&D with NE missions; and conduct communications activities that foster stakeholder trust, serve as a catalyst for accomplishing NEUP objectives, and provide national visibility of NEUP activities and accomplishments. Year to date efforts to achieve these goals will be discussed. C1 Idaho Natl Lab, Ctr Adv Energy Studies, Idaho Falls, ID 83415 USA. RP Lambregts, MJ (reprint author), Idaho Natl Lab, Ctr Adv Energy Studies, Idaho Falls, ID 83415 USA. RI Bala, Marsha/I-4459-2016 OI Bala, Marsha/0000-0002-7936-416X NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0701-5 J9 AIP CONF PROC PY 2009 VL 1164 BP 59 EP 63 PG 5 WC Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Education, Scientific Disciplines; Nuclear Science & Technology SC Chemistry; Education & Educational Research; Nuclear Science & Technology GA BMA82 UT WOS:000271693200009 ER PT S AU Ji, H Yamada, M Gerhardt, SP Belova, E AF Ji, H. Yamada, M. Gerhardt, S. P. Belova, E. BE Panarella, E Raman, R TI RECENT ADVANCES IN THE SPIRIT (SELF-ORGANIZED PLASMA WITH INDUCTION, RECONNECTION, AND INJECTION TECHNIQUES) CONCEPT SO CURRENT TRENDS IN INTERNATIONAL FUSION RESEARCH, PROCEEDINGS SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Symposium on Evaluation of Current Trends in Fusion Research CY MAR 05-09, 2007 CL Washington, DC SP Fus Reactor Technol C1 [Ji, H.; Yamada, M.; Gerhardt, S. P.; Belova, E.] Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Ji, H (reprint author), Princeton Univ, Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. NR 9 TC 0 Z9 0 U1 1 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0691-9 J9 AIP CONF PROC PY 2009 VL 1154 BP 9 EP 10 PG 2 WC Physics, Applied SC Physics GA BLE22 UT WOS:000269998900002 ER PT S AU Mueller, D Menard, JE Bell, MG Bell, RE Bialek, JM Boedo, JA Bush, CE Crocker, NA Diem, S Domier, CW D'Ippolito, DA Ferron, JR Fredrickson, ED Gates, DA Hill, KW Hosea, JC Kaye, SM Kessel, CE Kubota, S Kugel, HW LeBlanc, BP Lee, KC Levinton, FM Luhmann, NC Maingi, R Mansfield, DK Majeski, RP Maqueda, RJ Mazzucato, E Medley, SS Myra, JR Park, HK Paul, SF Peebles, WA Raman, R Sabbagh, SA Skinner, CH Smith, DR Sontag, AC Soukhanovskii, VA Stratton, BC Stutman, D Taylor, G Tritz, K Wilson, JR Yuh, H Zhu, W Zweben, SJ AF Mueller, D. Menard, J. E. Bell, M. G. Bell, R. E. Bialek, J. M. Boedo, J. A. Bush, C. E. Crocker, N. A. Diem, S. Domier, C. W. D'Ippolito, D. A. Ferron, J. R. Fredrickson, E. D. Gates, D. A. Hill, K. W. Hosea, J. C. Kaye, S. M. Kessel, C. E. Kubota, S. Kugel, H. W. LeBlanc, B. P. Lee, K. C. Levinton, F. M. Luhmann, N. C., Jr. Maingi, R. Mansfield, D. K. Majeski, R. P. Maqueda, R. J. Mazzucato, E. Medley, S. S. Myra, J. R. Park, H. K. Paul, S. F. Peebles, W. A. Raman, R. Sabbagh, S. A. Skinner, C. H. Smith, D. R. Sontag, A. C. Soukhanovskii, V. A. Stratton, B. C. Stutman, D. Taylor, G. Tritz, K. Wilson, J. R. Yuh, H. Zhu, W. Zweben, S. J. CA NSTX Res Team BE Panarella, E Raman, R TI REVIEW OF THE NATIONAL SPHERICAL TORUS EXPERIMENT RESEARCH RESULTS SO CURRENT TRENDS IN INTERNATIONAL FUSION RESEARCH, PROCEEDINGS SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Symposium on Evaluation of Current Trends in Fusion Research CY MAR 05-09, 2007 CL Washington, DC SP Fus Reactor Technol ID EXPERIMENT NSTX; HIGH-BETA AB The National Spherical Torus Experiment (NSTX) produces plasmas, with toroidal aspect ratio as low as 1.25 and plasma currents up to 1.5 MA, which can be heated by up to 6 MW High-Harmonic Fast Waves and up to 7 MW of deuterium Neutral Beam Injection. With these capabilities, NSTX has already made considerable progress in advancing the scientific understanding of high performance plasmas needed for low-aspect-ratio reactor concepts and for ITER. In transport and turbulence research on NSTX, the role of magnetic shear is being elucidated in discharges in which electron energy transport barriers are observed. Scaling studies indicate a weaker dependence on plasma current than at conventional aspect ratio and a significant dependence on toroidal field (B(T)). In the area of MHD research, six mid-plane ex-vessel coils which produce controllable radial magnetic field perturbations have been utilized to infer and correct intrinsic error fields, investigate locked tearing mode threshold, provide robust rotation control with non-resonant n=3 field ripple, and measure the resonant field amplification spectrum of rotationally-stabilized resistive wall modes (RWMs). Edge stability, transport, and control studies have also benefited from new capabilities. The installation of a Lithium evaporator as a density control tool was tested this year and found to produce a modest density decrease of 10-15% late in the discharge. ELM severity is observed to be sensitive to magnetic balance. NSTX is well suited to investigate fast-ion driven instabilities, since Neutral Beam Injection heated NSTX plasmas can match and exceed the fast-ion beta and velocity ratio v(fast) / v(Alfven) of ITER (at much higher fast-ion rho*) with complete diagnostic coverage. Finally, non-inductive plasma start-up research is particularly important for the ST concept, and Coaxial Helicity Injection (CHI) has now produced 160kA of persistent current on closed flux surfaces in NSTX. C1 [Mueller, D.; Menard, J. E.; Bell, M. G.; Bell, R. E.; Diem, S.; Fredrickson, E. D.; Gates, D. A.; Hill, K. W.; Hosea, J. C.; Kaye, S. M.; Kessel, C. E.; Kugel, H. W.; LeBlanc, B. P.; Mansfield, D. K.; Majeski, R. P.; Mazzucato, E.; Medley, S. S.; Myra, J. R.; Park, H. K.; Paul, S. F.; Skinner, C. H.; Stratton, B. C.; Taylor, G.; Wilson, J. R.; Zweben, S. J.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Mueller, D (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. RI Stutman, Dan/P-4048-2015; OI Menard, Jonathan/0000-0003-1292-3286 NR 29 TC 0 Z9 0 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0691-9 J9 AIP CONF PROC PY 2009 VL 1154 BP 11 EP 27 PG 17 WC Physics, Applied SC Physics GA BLE22 UT WOS:000269998900003 ER PT S AU Majeski, R Gray, T Kaita, R Kugel, H Kozub, T Mansfield, D Spaleta, J Timberlake, J Zakharov, L Soukhanovskii, V Maingi, R Doerner, R AF Majeski, R. Gray, T. Kaita, R. Kugel, H. Kozub, T. Mansfield, D. Spaleta, J. Timberlake, J. Zakharov, L. Soukhanovskii, V. Maingi, R. Doerner, R. BE Panarella, E Raman, R TI THE LITHIUM TOKAMAK EXPERIMENT (LTX) AND LOW-RECYCLING SPHERICAL TOKAMAK REACTORS SO CURRENT TRENDS IN INTERNATIONAL FUSION RESEARCH, PROCEEDINGS SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Symposium on Evaluation of Current Trends in Fusion Research CY MAR 05-09, 2007 CL Washington, DC SP Fus Reactor Technol C1 [Majeski, R.; Gray, T.; Kaita, R.; Kugel, H.; Kozub, T.; Mansfield, D.; Spaleta, J.; Timberlake, J.; Zakharov, L.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Majeski, R (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. NR 2 TC 0 Z9 0 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0691-9 J9 AIP CONF PROC PY 2009 VL 1154 BP 28 EP 29 PG 2 WC Physics, Applied SC Physics GA BLE22 UT WOS:000269998900004 ER PT S AU Welton, RF AF Welton, Robert F. BE Panarella, E Raman, R TI THE US SPALLATION NEUTRON SOURCE SO CURRENT TRENDS IN INTERNATIONAL FUSION RESEARCH, PROCEEDINGS SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Symposium on Evaluation of Current Trends in Fusion Research CY MAR 05-09, 2007 CL Washington, DC SP Fus Reactor Technol C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Welton, RF (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. NR 2 TC 0 Z9 0 U1 0 U2 1 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0691-9 J9 AIP CONF PROC PY 2009 VL 1154 BP 35 EP 36 PG 2 WC Physics, Applied SC Physics GA BLE22 UT WOS:000269998900006 ER PT S AU Moses, EI AF Moses, Edward I. BE Panarella, E Raman, R TI PLANS FOR IGNITION EXPERIMENTS ON THE NATIONAL IGNITION FACILITY SO CURRENT TRENDS IN INTERNATIONAL FUSION RESEARCH, PROCEEDINGS SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Symposium on Evaluation of Current Trends in Fusion Research CY MAR 05-09, 2007 CL Washington, DC SP Fus Reactor Technol AB The National Ignition Facility (NIF) is a 192-beam Nd-glass laser facility presently under construction at Lawrence Livermore National Laboratory (LLNL) in support of inertial confinement fusion (ICF) and high-energy-density (HED) science. NIF will produce 1.8 MJ, 500 TW of ultraviolet light, making it the world's largest and most powerful laser system. NIF will be the world's preeminent facility for the study of matter at extreme temperatures and densities and for producing and developing ICF. The ignition studies will be the next important step in developing inertial fusion energy. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Moses, EI (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. NR 0 TC 1 Z9 1 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0691-9 J9 AIP CONF PROC PY 2009 VL 1154 BP 53 EP 59 PG 7 WC Physics, Applied SC Physics GA BLE22 UT WOS:000269998900011 ER PT S AU Intrator, TP Wurden, GA Waganaar, WJ Renneke, R Kostora, M Dorf, L Hsu, SC Lynn, A Gilmore, M Siemon, R Awe, T Degnan, J Grabowski, C Ruden, E AF Intrator, T. P. Wurden, G. A. Waganaar, W. J. Renneke, R. Kostora, M. Dorf, L. Hsu, S. C. Lynn, A. Gilmore, M. Siemon, R. Awe, T. Degnan, J. Grabowski, C. Ruden, E. BE Panarella, E Raman, R TI DESIGN AND FEATURES OF A MAGNETIZED TARGET FUSION EXPERIMENT SO CURRENT TRENDS IN INTERNATIONAL FUSION RESEARCH, PROCEEDINGS SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Symposium on Evaluation of Current Trends in Fusion Research CY MAR 05-09, 2007 CL Washington, DC SP Fus Reactor Technol C1 [Intrator, T. P.; Wurden, G. A.; Waganaar, W. J.; Renneke, R.; Kostora, M.; Dorf, L.; Hsu, S. C.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Intrator, TP (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. RI Wurden, Glen/A-1921-2017 OI Wurden, Glen/0000-0003-2991-1484 NR 2 TC 1 Z9 1 U1 0 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0691-9 J9 AIP CONF PROC PY 2009 VL 1154 BP 65 EP 67 PG 3 WC Physics, Applied SC Physics GA BLE22 UT WOS:000269998900014 ER PT S AU Post, RF AF Post, Richard F. BE Panarella, E Raman, R TI KINETICALLY STABILIZED AXISYMMETRIC TANDEM MIRRORS: A FASTER ROUTE TO ECONOMIC FUSION POWER? SO CURRENT TRENDS IN INTERNATIONAL FUSION RESEARCH, PROCEEDINGS SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Symposium on Evaluation of Current Trends in Fusion Research CY MAR 05-09, 2007 CL Washington, DC SP Fus Reactor Technol C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Post, RF (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. NR 4 TC 0 Z9 0 U1 1 U2 3 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0691-9 J9 AIP CONF PROC PY 2009 VL 1154 BP 75 EP 76 PG 2 WC Physics, Applied SC Physics GA BLE22 UT WOS:000269998900017 ER PT S AU Kirkpatrick, RC AF Kirkpatrick, R. C. BE Panarella, E Raman, R TI A TUTORIAL ON IGNITION AND GAIN FOR SMALL FUSION TARGETS SO CURRENT TRENDS IN INTERNATIONAL FUSION RESEARCH, PROCEEDINGS SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Symposium on Evaluation of Current Trends in Fusion Research CY MAR 05-09, 2007 CL Washington, DC SP Fus Reactor Technol ID PLASMA; COMPRESSION; SPACE; POWER AB Nuclear fusion was discovered experimentally in 1933-34[1] and other charged particle nuclear reactions were documented shortly thereafter.[2] Work in earnest on the fusion ignition problem began with Edward Teller's group at Los Alamos during the war years. His group quantified all the important basic atomic and nuclear processes and summarized their interactions. A few years later, the success of the early theory developed at Los Alamos led to very successful thermonuclear weapons, but also to decades of unsuccessful attempts to harness fusion as an energy source of the future. The reasons for this history are many, but it seems appropriate to review some of the basics with the objective of identifying what is essential for success and what is not. This tutorial discusses only the conditions required for ignition in small fusion targets and how the target design impacts driver requirements. Generally speaking, the driver must meet the energy, power and power density requirements needed by the fusion target. The most relevant parameters for ignition of the fusion fuel are the minimum temperature and areal density (rho R), but these parameters set secondary conditions that must be achieved, namely an implosion velocity, target size and pressure, which are interrelated. Despite the apparent simplicity of inertial fusion targets, there is not a single mode of fusion ignition, and the necessary combination of minimum temperature and areal density depends on the mode of ignition. However, by providing a magnetic field of sufficient strength, the conditions needed for fusion ignition can be drastically altered. Magnetized target fusion potentially opens up a vast parameter space between the extremes of magnetic and inertial fusion. C1 Los Alamos Natl Lab, Los Alamos, NM USA. RP Kirkpatrick, RC (reprint author), Los Alamos Natl Lab, Los Alamos, NM USA. NR 40 TC 0 Z9 0 U1 1 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0691-9 J9 AIP CONF PROC PY 2009 VL 1154 BP 95 EP 122 PG 28 WC Physics, Applied SC Physics GA BLE22 UT WOS:000269998900023 ER PT S AU Batha, SH Albright, BJ Alexander, DJ Barnes, CW Bradley, PA Cobble, JA Cooley, JC Cooley, JH Day, RD DeFriend, KA Delamater, ND Dodd, ES Fatherley, VE Fernandez, JC Flippo, KA Grim, GP Goldman, SR Greenfield, SR Herrmann, HW Hoffman, NM Holmes, RL Johnson, RP Keiter, PA Kline, JL Kyrala, GA Lanier, NE Loomis, E Lopez, FE Luo, S Mack, JM Magelssen, GR Montgomery, DS Nobile, A Oertel, JA Reardon, P Rose, HA Schmidt, D Schmitt, MJ Seifter, A Shimada, T Swift, DC Tiemey, TE Welser-Sherrill, L Wilke, MD Wilson, DC Workman, J Yin, L AF Batha, S. H. Albright, B. J. Alexander, D. J. Barnes, Cris W. Bradley, P. A. Cobble, J. A. Cooley, J. C. Cooley, J. H. Day, R. D. DeFriend, K. A. Delamater, N. D. Dodd, E. S. Fatherley, V. E. Fernandez, J. C. Flippo, K. A. Grim, G. P. Goldman, S. R. Greenfield, S. R. Herrmann, H. W. Hoffman, N. M. Holmes, R. L. Johnson, R. P. Keiter, P. A. Kline, J. L. Kyrala, G. A. Lanier, N. E. Loomis, E. Lopez, F. E. Luo, S. Mack, J. M. Magelssen, G. R. Montgomery, D. S. Nobile, A. Oertel, J. A. Reardon, P. Rose, H. A. Schmidt, D. Schmitt, M. J. Seifter, A. Shimada, T. Swift, D. C. Tiemey, T. E. Welser-Sherrill, L. Wilke, M. D. Wilson, D. C. Workman, J. Yin, L. BE Panarella, E Raman, R TI INERTIAL CONFINEMENT FUSION RESEARCH AT LOS ALAMOS NATIONAL LABORATORY SO CURRENT TRENDS IN INTERNATIONAL FUSION RESEARCH, PROCEEDINGS SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Symposium on Evaluation of Current Trends in Fusion Research CY MAR 05-09, 2007 CL Washington, DC SP Fus Reactor Technol ID GAS-CHERENKOV DETECTOR; HOT-SPOT EXPERIMENTS; IGNITION-FACILITY; NUCLEAR DIAGNOSTICS; BERYLLIUM CAPSULES; LASER FACILITY; ENERGY; PLASMA; ASYMMETRY; SYMMETRY AB Inertial confinement fusion research at Los Alamos National Laboratory is focused on high-leverage areas of thermonuclear ignition to which LANL can apply its historic strengths and that are complementary to high-energy-density-physics topics. Using the Trident and Omega laser facilities, experiments are pursued in laser-plasma instabilities, symmetry, Be technologies, neutron and fusion-product diagnostics, and defect hydrodynamics. C1 [Batha, S. H.; Albright, B. J.; Alexander, D. J.; Barnes, Cris W.; Bradley, P. A.; Cobble, J. A.; Cooley, J. C.; Cooley, J. H.; Day, R. D.; DeFriend, K. A.; Delamater, N. D.; Dodd, E. S.; Fatherley, V. E.; Fernandez, J. C.; Flippo, K. A.; Grim, G. P.; Goldman, S. R.; Greenfield, S. R.; Herrmann, H. W.; Hoffman, N. M.; Holmes, R. L.; Johnson, R. P.; Keiter, P. A.; Kline, J. L.; Kyrala, G. A.; Lanier, N. E.; Loomis, E.; Lopez, F. E.; Luo, S.; Mack, J. M.; Magelssen, G. R.; Montgomery, D. S.; Nobile, A.; Oertel, J. A.; Reardon, P.; Rose, H. A.; Schmidt, D.; Schmitt, M. J.; Seifter, A.; Shimada, T.; Swift, D. C.; Tiemey, T. E.; Welser-Sherrill, L.; Wilke, M. D.; Wilson, D. C.; Workman, J.; Yin, L.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Batha, SH (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. RI Fernandez, Juan/H-3268-2011; Cooley, Jason/E-4163-2013; Keiter, Paul/J-3037-2013; Flippo, Kirk/C-6872-2009 OI Fernandez, Juan/0000-0002-1438-1815; Flippo, Kirk/0000-0002-4752-5141 NR 56 TC 0 Z9 0 U1 0 U2 4 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0691-9 J9 AIP CONF PROC PY 2009 VL 1154 BP 129 EP 147 PG 19 WC Physics, Applied SC Physics GA BLE22 UT WOS:000269998900026 ER PT S AU Cohen, SA Berlinger, B Brunkhorst, C Brooks, A Ferraro, N Lundberg, D Roach, A Glasser, AH AF Cohen, S. A. Berlinger, B. Brunkhorst, C. Brooks, A. Ferraro, N. Lundberg, D. Roach, A. Glasser, A. H. BE Panarella, E Raman, R TI RMF(O)-FORMED COLLISIONLESS HIGH-beta PLASMAS: YESTERDAY, TODAY AND TOMORROW SO CURRENT TRENDS IN INTERNATIONAL FUSION RESEARCH, PROCEEDINGS SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Symposium on Evaluation of Current Trends in Fusion Research CY MAR 05-09, 2007 CL Washington, DC SP Fus Reactor Technol ID FIELD-REVERSED CONFIGURATION; ROTATING MAGNETIC-FIELDS; ION; ROTAMAK C1 [Cohen, S. A.; Berlinger, B.; Brunkhorst, C.; Brooks, A.; Ferraro, N.; Lundberg, D.; Roach, A.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Cohen, SA (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. NR 9 TC 0 Z9 0 U1 2 U2 4 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0691-9 J9 AIP CONF PROC PY 2009 VL 1154 BP 165 EP 166 PG 2 WC Physics, Applied SC Physics GA BLE22 UT WOS:000269998900030 ER PT S AU Amendt, P Cerjan, C Milovich, J Robey, H AF Amendt, Peter Cerjan, Charlie Milovich, Jose Robey, Harry BE Panarella, E Raman, R TI PROSPECTS FOR DEMONSTRATING DOUBLE-SHELL IGNITION ON THE NATIONAL IGNITION FACILITY SO CURRENT TRENDS IN INTERNATIONAL FUSION RESEARCH, PROCEEDINGS SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th Symposium on Evaluation of Current Trends in Fusion Research CY MAR 05-09, 2007 CL Washington, DC SP Fus Reactor Technol ID TARGETS C1 [Amendt, Peter; Cerjan, Charlie; Milovich, Jose; Robey, Harry] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Amendt, P (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. NR 3 TC 0 Z9 0 U1 1 U2 3 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0691-9 J9 AIP CONF PROC PY 2009 VL 1154 BP 234 EP 234 PG 1 WC Physics, Applied SC Physics GA BLE22 UT WOS:000269998900040 ER PT J AU Dalzell, P Miles, LG Isberg, SR Glenn, TC King, C Murtagh, V Moran, C AF Dalzell, P. Miles, L. G. Isberg, S. R. Glenn, T. C. King, C. Murtagh, V. Moran, C. TI Standardized Reference Ideogram for Physical Mapping in the Saltwater Crocodile (Crocodylus porosus) SO CYTOGENETIC AND GENOME RESEARCH LA English DT Article DE Crocodilian; Ideogram; Karyotype; Reptile; Saltwater crocodile ID HUMAN-CHROMOSOMES; CYTOGENETIC MAP; KARYOTYPE; NOMENCLATURE; ASSIGNMENT; SYSTEM; FISH AB Basic cytogenetic data, such as diploid number and general chromosome morphology, are available for many reptilian species. Here we present a detailed cytogenetic examination of the saltwater crocodile (Crocodylus porosus) karyotype, including the creation of the first fully annotated G-band standard ideogram for any crocodilian species. The C. porosus karyotype contains macrochromosomes and has a diploid number of 34. This study presents a detailed description of each chromosome, permitting unambiguous chromosome identification. The fully annotated standardized C. porosus ideogram provides the backbone to a standard nomenclature system which can be used to accurately identify specific band locations. Seven microsatellite containing fosmid clones were fluorescently labeled and used as fluorescent in situ hybridization (FISH) probes for physical localization. Chromosome locations for each of these FISH probes were successfully assigned, demonstrating the utility of the fully annotated ideogram for genome mapping. Copyright (C) 2010 S. Karger AG, Basel C1 [Dalzell, P.; Miles, L. G.; Isberg, S. R.; Murtagh, V.; Moran, C.] Univ Sydney, Fac Vet Sci, Sydney, NSW 2006, Australia. [Dalzell, P.] S Eastern Area Lab Serv, Randwick, NSW, Australia. [Isberg, S. R.] Porosus Pty Ltd, Palmerston, NT, Australia. [Glenn, T. C.; King, C.] Univ Georgia, Savannah River Ecol Lab, Aiken, SC USA. [Glenn, T. C.] Univ Georgia, Dept Environm Hlth, Athens, GA 30602 USA. RP Moran, C (reprint author), Univ Sydney, Fac Vet Sci, RMC Gunn Bldg B19, Sydney, NSW 2006, Australia. EM christopher.moran@sydney.edu.au RI Glenn, Travis/A-2390-2008 FU Rural Industries Research and Development Corporation [US-139A]; Porosus Pty Ltd. FX This research was supported by Rural Industries Research and Development Corporation grant US-139A to the University of Sydney, and Porosus Pty Ltd. All research took place at the University of Sydney and South Eastern Area Laboratory Services, Australia, as well as at the Savannah River Ecology Laboratory (SREL) of the University of Georgia (UGA), USA. Blood samples were provided by Darwin Crocodile Farm, N.T., Australia. Capture, handling and blood sampling of crocodiles was approved by the University of Sydney Animal Ethics Committee, permit No. N00/8-2005/3/4177. NR 29 TC 2 Z9 2 U1 0 U2 8 PU KARGER PI BASEL PA ALLSCHWILERSTRASSE 10, CH-4009 BASEL, SWITZERLAND SN 1424-8581 J9 CYTOGENET GENOME RES JI Cytogenet. Genome Res. PY 2009 VL 127 IS 2-4 BP 204 EP 212 DI 10.1159/000293286 PG 9 WC Cell Biology; Genetics & Heredity SC Cell Biology; Genetics & Heredity GA 591DR UT WOS:000277279700010 PM 20203476 ER PT J AU Islam-Faridi, MN Nelson, CD DiFazio, SP Gunter, LE Tuskan, GA AF Islam-Faridi, M. N. Nelson, C. D. DiFazio, S. P. Gunter, L. E. Tuskan, G. A. TI Cytogenetic Analysis of Populus trichocarpa - Ribosomal DNA, Telomere Repeat Sequence, and Marker-selected BACs SO CYTOGENETIC AND GENOME RESEARCH LA English DT Article DE BAC; FISH; Populus trichocarpa; rDNA; Telomere ID IN-SITU HYBRIDIZATION; BACTERIAL ARTIFICIAL CHROMOSOMES; GENETIC-LINKAGE MAPS; FINE PHYSICAL MAP; P-TRICHOCARPA; RAPD MARKERS; RICE; RECOMBINATION; RESOLUTION; PLANTS AB The 18S-28S rDNA and 5S rDNA loci in Populus trichocarpa were localized using fluorescent in situ hybridization ( FISH). Two 18S-28S rDNA sites and one 5S rDNA site were identified and located at the ends of 3 different chromosomes. FISH signals from the Arabidopsis-type telomere repeat sequence were observed at the distal ends of each chromosome. Six BAC clones selected from 2 linkage groups based on genome sequence assembly (LG-I and LG-VI) were localized on 2 chromosomes, as expected. BACs from LG-I hybridized to the longest chromosome in the complement. All BAC positions were found to be concordant with sequence assembly positions. BAC-FISH will be useful for delineating each of the Populus trichocarpa chromosomes and improving the sequence assembly of this model angiosperm tree species. Copyright (C) 2009 S. Karger AG, Basel C1 [Islam-Faridi, M. N.] Texas A&M Univ, So Inst Forest Genet, US Forest Serv,Forest Tree Mol Cytogenet Lab, Dept Ecosyst Sci & Management,So Res Stn, College Stn, TX 77843 USA. [Nelson, C. D.] US Forest Serv, So Res Stn, So Inst Forest Genet, Saucier, MS USA. [DiFazio, S. P.] W Virginia Univ, Dept Biol, Morgantown, WV 26506 USA. [Gunter, L. E.; Tuskan, G. A.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Islam-Faridi, MN (reprint author), Texas A&M Univ, Forest Sci Lab, 2585 TAMU, College Stn, TX 77843 USA. EM nfaridi@tamu.edu RI Tuskan, Gerald/A-6225-2011; Gunter, Lee/L-3480-2016 OI Tuskan, Gerald/0000-0003-0106-1289; Gunter, Lee/0000-0003-1211-7532 FU U.S. Department of Energy [DE-AC05-00OR22725]; NSF [0421743]; Southern Research Station (U.S. Forest Service) FX Funding for this research was provided by the U.S. Department of Energy, Office of Science, Basic Energy Sciences Program and by the NSF Plant Genome Program Project 0421743. Oak Ridge National Laboratory is managed by UT-Battelle, LLC for the U.S. Department of Energy under Contract No. DE-AC05-00OR22725. Additional funding was provided by Southern Research Station (U.S. Forest Service). We thank Dr. Max Cheng (University of Tennessee) for plant materials, and Dr. Thomas Byram (Texas Forest Service) and Dr. David Stelly (Texas A&M University) for greenhouse and microscopy facilities, respectively. NR 35 TC 15 Z9 16 U1 0 U2 3 PU KARGER PI BASEL PA ALLSCHWILERSTRASSE 10, CH-4009 BASEL, SWITZERLAND SN 1424-8581 J9 CYTOGENET GENOME RES JI Cytogenet. Genome Res. PY 2009 VL 125 IS 1 BP 74 EP 80 DI 10.1159/000218749 PG 7 WC Cell Biology; Genetics & Heredity SC Cell Biology; Genetics & Heredity GA 472CO UT WOS:000268107000010 PM 19617699 ER PT S AU Rutenbar, RA Carlson, E Pitera, J Chen, JS AF Rutenbar, Rob A. Carlson, Erik Pitera, Jed Chen, Jinsong GP IEEE TI Oil Fields, Hedge Funds, and Drugs SO DAC: 2009 46TH ACM/IEEE DESIGN AUTOMATION CONFERENCE, VOLS 1 AND 2 SE Design Automation Conference DAC LA English DT Proceedings Paper CT 46th ACM/IEEE Design Automation Conference (DAC 2009) CY JUL 26-31, 2009 CL San Francisco, CA SP ACM, IEEE DE Monte Carlo methods; Oil field discovery; Financial market analysis; Drug discovery AB Statistical analysis is a fundamental method in analysis, design, and optimization of large systems with uncertainties. It is being applied in drug development, analyzing financial markets, search for new oil fields, and many more areas. As the silicon process technology scales to its limits, uncertainty plays an increasing role and has made its way into tools such as yield analysis, statistical time analysis, etc. In this educational panel, we will start with a short tutorial on Monte Carlo methods including their use in EDA. Three experts from distinct application fields will then follow and discuss their experience in using Monte Carlo methods for solving large-scale problems in their domain. It may come as a surprise to some attendees of DAC to learn how much commonality there is between methods used in EDA and other field that seem far-fetched. C1 [Rutenbar, Rob A.] Carnegie Mellon Univ, Pittsburgh, PA 15213 USA. [Carlson, Erik] Armored Wolf, Aliso Viejo, CA USA. [Pitera, Jed] IBM Corp, Alemaden Res Lab, San Jose, CA USA. [Chen, Jinsong] Lawrence Berkeley Labs, Berkeley, CA USA. RP Rutenbar, RA (reprint author), Carnegie Mellon Univ, Pittsburgh, PA 15213 USA. NR 0 TC 0 Z9 0 U1 0 U2 1 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 0738-100X BN 978-1-60558-497-3 J9 DES AUT CON PY 2009 BP 416 EP + PG 2 WC Computer Science, Hardware & Architecture; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BPN38 UT WOS:000279394200085 ER PT S AU Bailey, DH AF Bailey, David H. GP IEEE TI Misleading Performance Claims in Parallel Computations SO DAC: 2009 46TH ACM/IEEE DESIGN AUTOMATION CONFERENCE, VOLS 1 AND 2 SE Design Automation Conference DAC LA English DT Proceedings Paper CT 46th ACM/IEEE Design Automation Conference (DAC 2009) CY JUL 26-31, 2009 CL San Francisco, CA SP ACM, IEEE DE Parallel computing AB In a previous humorous note entitled "Twelve Ways to Fool the Masses ...," I outlined twelve common ways in which performance figures for technical computer systems can be distorted. In this paper and accompanying conference talk, I give a reprise of these twelve "methods" and give some actual examples that have appeared in peer-reviewed literature in years past. I then propose guidelines for reporting performance, the adoption of which would raise the level of professionalism and reduce the level of confusion, not only in the world of device simulation but also in the larger arena of technical computing. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Bailey, DH (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. EM dhbailey@lbl.gov NR 6 TC 2 Z9 2 U1 0 U2 6 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 0738-100X BN 978-1-60558-497-3 J9 DES AUT CON PY 2009 BP 528 EP 533 PG 6 WC Computer Science, Hardware & Architecture; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BPN38 UT WOS:000279394200106 ER PT B AU Bent, J Denehy, TE Livny, M Arpaci-Dusseau, AC Arpaci-Dusseau, RH AF Bent, John Denehy, Timothy E. Livny, Miron Arpaci-Dusseau, Andrea C. Arpaci-Dusseau, Remzi H. GP ACM TI Data-Driven Batch Scheduling SO DADC 2009: SECOND INTERNATIONAL WORKSHOP ON DATA AWARE DISTRIBUTED COMPUTING LA English DT Proceedings Paper CT 2nd International Workshop on Data-Aware Distributed Computing (DADC 2009) CY JUN09, 2009 CL Munich, GERMANY SP SIGARCH AB In this paper, we develop data-driven strategies for batch computing schedulers. Current CPU-centric batch schedulers ignore the data needs within workloads and execute them by linking them transparently and directly to their needed data. When scheduled on remote computational resources, this elegant solution of direct data access can incur an order of magnitude performance penalty for data-intensive workloads. Adding data-awareness to batch schedulers allows a careful coordination of data and CPU allocation thereby reducing the. cost of remote execution. We offer here new techniques by which batch schedulers can become data-driven. Such systems can use our analytical predictive models to select one of the four data-driven scheduling policies that we have created. Through simulation, we demonstrate the accuracy of our predictive models and show how they can reduce time to completion for some workloads by as much as 80%. C1 [Bent, John] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Bent, J (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. EM johnbent@lanl.gov; tedenehy@cs.wisc.edu; miron@cs.wisc.edu; dusseau@cs.wisc.edu; remzi@cs.wisc.edu NR 21 TC 0 Z9 0 U1 0 U2 2 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 1515 BROADWAY, NEW YORK, NY 10036-9998 USA BN 978-1-60558-587-1 PY 2009 BP 1 EP 10 PG 10 WC Computer Science, Hardware & Architecture SC Computer Science GA BNL49 UT WOS:000274862400001 ER PT J AU Stoumpos, CC Stamatatos, TC Sartzi, H Roubeau, O Tasiopoulos, AJ Nastopoulos, V Teat, SJ Christou, G Perlepes, SP AF Stoumpos, Constantinos C. Stamatatos, Theocharis C. Sartzi, Harikleia Roubeau, Olivier Tasiopoulos, Anastasios J. Nastopoulos, Vassilios Teat, Simon J. Christou, George Perlepes, Spyros P. TI Employment of methyl 2-pyridyl ketone oxime in manganese non-carboxylate chemistry: (Mn2MnIV)-Mn-II and (Mn2Mn6II)-Mn-II complexes SO DALTON TRANSACTIONS LA English DT Review ID SINGLE-MOLECULE MAGNETS; HIGH-SPIN MOLECULES; TARGETED STRUCTURAL DISTORTION; ALKOXIDE-BASED LIGANDS; S=22 GROUND-STATE; RARE T-SYMMETRY; MIXED-VALENCE; HIGH-NUCLEARITY; CLUSTER CHEMISTRY; DI-2-PYRIDYL KETONE AB The employment of the anion of methyl 2-pyridyl ketone oxime (mpko(-)) as a tridentate chelating/bridging ligand in manganese chemistry is described. The inorganic anion (Br-, ClO4-) used in the reaction affects the identity of the product. The reaction of MnBr2 and one equivalent of mpkoH in the presence of a base affords [Mn-3(OMe)(2)(mpko)(4)Br-2] (3), which is mixed-valence (2Mn(II), Mn-IV). The central Mn-IV atom in each of the two, crystallographically independent, centrosymmetric molecules is coordinated by four oximate oxygen atoms belonging to the eta(1):eta(1):eta(1):mu mpko(-) ligands, and two eta(1):mu MeO- groups, while six coordination at each terminal Mn-II atom is completed by four nitrogen atoms belonging to the 'chelating' part of two mpko(-) ligands, and one Br- ion. The Mn-II atoms have trigonal prismatic coordination geometry. The reaction of Mn(ClO4)(2)center dot 6H(2)O, mpkoH and OH- (1:2:1) in MeOH gives [Mn8O4(OMe)(mpko)(9)(mpkoH)](ClO4)(4) (4), which is also mixed-valence (2Mn(II), 6Mn(III)) and possesses the novel [Mn-8(mu(3)-O)(4)(mu-OMe)(mu-OR '')(2)](11+) core. The latter possesses a U-shaped sequence of four fused {(MnMn2III)-Mn-II(mu(3)-O)}(6+) triangular units, with a Mn-III-Mn-III edge being shared between the central triangles. Variable-temperature, solid-state dc and ac magnetic susceptibility studies were carried out on complexes 3 and 4. The dc susceptibility data for 3 in the 5.0-300 K range have been fit to a model with two J values, revealing weak ferromagnetic Mn-II center dot center dot center dot Mn-IV (J = +3.4 cm(-1)) and Mn-II center dot center dot center dot Mn-II (J' = +0.3 cm(-1)) exchange interactions. Fitting of the magnetization vs. H/T data by matrix diagonalization and including only axial anisotropy (ZFS, D) gave ground state spin (S) and D values of S = 13/2, D = +0.17 cm(-1) for 3 and S = 3, D = -0.09 cm(-1) for 4. The combined work demonstrates the usefulness of mpko- in the preparation of interesting Mn clusters, without requiring the co-presence of carboxylate ligands. C1 [Stamatatos, Theocharis C.; Christou, George] Univ Florida, Dept Chem, Gainesville, FL 32611 USA. [Stoumpos, Constantinos C.; Sartzi, Harikleia; Nastopoulos, Vassilios; Perlepes, Spyros P.] Univ Patras, Dept Chem, Patras 26504, Greece. [Roubeau, Olivier] Equipe Mat Mol Magnet, CRPP, CNRS, UPR8641, F-33600 Pessac, France. [Tasiopoulos, Anastasios J.] Univ Cyprus, Dept Chem, CY-1678 Nicosia, Cyprus. [Teat, Simon J.] Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Christou, G (reprint author), Univ Florida, Dept Chem, Gainesville, FL 32611 USA. EM christou@chem.ufl.edu; perlepes@patreas.upatras.gr RI Roubeau, Olivier/A-6839-2010; Christou, George /A-3072-2014; OI Roubeau, Olivier/0000-0003-2095-5843; Stoumpos, Constantinos/0000-0001-8396-9578 FU Cyprus Research Promotion Foundation [TEXNO/0506/06]; U. S. Department of Energy [DE-AC02-05CH11231]; Operational and Vocational Training II (EPEAEK II); PYTHAGORAS [b.365.037]; National Science Foundation [CHE-0414555] FX This work was supported by the Cyprus Research Promotion Foundation (Grant TEXNO/0506/06 to A.J.T.). The Advanced Light Source is supported by The Director, Office of Basic Energy Sciences, of the U. S. Department of Energy under Contract No. DE-AC02-05CH11231. S. P. P thanks the Operational and Vocational Training II (EPEAEK II) and particularly the program PYTHAGORAS (Grant b.365.037) for funding this research. G. C. thanks the National Science Foundation (CHE-0414555) for support of this work. NR 145 TC 32 Z9 32 U1 0 U2 13 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1477-9226 EI 1477-9234 J9 DALTON T JI Dalton Trans. PY 2009 IS 6 BP 1004 EP 1015 DI 10.1039/b813828a PG 12 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 400EL UT WOS:000262850700014 PM 19173083 ER PT J AU Gorun, SM Rathke, JW Chen, MJ AF Gorun, Sergiu M. Rathke, Jerome W. Chen, Michael J. TI Long-range solid-state ordering and high geometric distortions induced in phthalocyanines by small fluoroalkyl groups SO DALTON TRANSACTIONS LA English DT Article ID RAY CRYSTAL-STRUCTURE; RING-SUBSTITUTED PHTHALOCYANINES; X-RAY; METAL-FREE; PERFLUOROPHTHALOCYANINE; COMPLEXES; FLUORINE; LIGANDS; OXYGEN; ATOM AB Electron-withdrawing alpha-CF(3) groups sterically induce severe geometric distortions and long-range solid-state ordering in protio and catalytically active mu-oxo iron phthalocyanine. C1 [Gorun, Sergiu M.] New Jersey Inst Technol, Dept Chem & Environm Sci, Newark, NJ 07102 USA. [Rathke, Jerome W.; Chen, Michael J.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Gorun, SM (reprint author), New Jersey Inst Technol, Dept Chem & Environm Sci, Newark, NJ 07102 USA. EM gorun@njit.edu FU US Army FX W. W. Brennessel and VictorG. Young, Jr., X-ray Crystallographic Laboratory, University of Minnesota, are thanked for parts of the X-ray data. Financial support from the US Army (to SMG) is gratefully acknowledged. NR 35 TC 13 Z9 13 U1 0 U2 2 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1477-9226 J9 DALTON T JI Dalton Trans. PY 2009 IS 7 BP 1095 EP 1097 DI 10.1039/b821000b PG 3 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 403WO UT WOS:000263112900002 PM 19322476 ER PT J AU Langley, S Helliwell, M Sessoli, R Teat, SJ Winpenny, REP AF Langley, Stuart Helliwell, Madeleine Sessoli, Roberta Teat, Simon J. Winpenny, Richard E. P. TI Synthesis and structural and magnetic characterisation of cobalt(II)-sodium phosphonate cage compounds SO DALTON TRANSACTIONS LA English DT Article ID SINGLE-MOLECULE MAGNET; LIGANDS; COMPLEXES; OXYGEN; ANISOTROPY; CLUSTERS AB The reaction of cobalt salts with phosphonic acids in the presence of 6-chloro-2-hydroxypyridine as a co-ligand, using sodium methoxide as a base, leads to a series of new polymetallic cobalt cages. Variation of the phosphonate present and the cobalt salt leads to {Co(6)Na(8)}, {Co(12)}, {Co(13)Na(6)}, {Co(14)Na(4)} and {Co(15)Na} cages, all of which have been characterized by X-ray crystallography. Using lithium methoxide produces a sixth cage with a {Co(6)Li(9)} core. The structures are, in general, extremely irregular with no structural motifs common to the six cages. Magnetic studies of these cages show a general decline in the product chi(m)T with T, but for {Co(13)Na(6)}, {Co(15)Na} and {Co(12)} there are maxima at low temperature, which suggest non-diamagnetic ground states. Investigation of the dynamic behaviour of the magnetisation of these complexes shows that the {Co(13)Na(6)}, and possibly the {Co(12)} cage, appear to display slow relaxation of magnetisation. C1 [Langley, Stuart; Helliwell, Madeleine; Winpenny, Richard E. P.] Univ Manchester, Sch Chem, Manchester M13 9PL, Lancs, England. [Sessoli, Roberta] Univ Florence, Dipartimento Chim, Lab Magnetismo Mol, I-50019 Sesto Fiorentino, Italy. [Teat, Simon J.] Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Winpenny, REP (reprint author), Univ Manchester, Sch Chem, Oxford Rd, Manchester M13 9PL, Lancs, England. EM richard.winpenny@manchester.ac.uk RI Langley, Stuart/G-4973-2011; Sessoli, Roberta/K-5863-2015 OI Langley, Stuart/0000-0002-2241-1551; Sessoli, Roberta/0000-0003-3783-2700 FU EPSRC (UK) FX We thank the EPSRC (UK) for funding for a studentship (SL). We are also grateful to the EC-TMR "QueMolNa" and the EC-NE "MAGMANet" for support. NR 27 TC 47 Z9 47 U1 2 U2 11 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1477-9226 J9 DALTON T JI Dalton Trans. PY 2009 IS 16 BP 3102 EP 3110 DI 10.1039/b819976k PG 9 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 430GY UT WOS:000264978300025 PM 19352539 ER PT J AU Szajna-Fuller, E Huang, YL Rapp, JL Chaka, G Lin, VSY Pruski, M Bakac, A AF Szajna-Fuller, Ewa Huang, Yulin Rapp, Jennifer L. Chaka, Gezahegn Lin, Victor S. Y. Pruski, Marek Bakac, Andreja TI Kinetics of oxidation of an organic amine with a Cr(V) salen complex in homogeneous aqueous solution and on the surface of mesoporous silica SO DALTON TRANSACTIONS LA English DT Article ID RING-OPENING REACTIONS; OXOCHROMIUM(V) CATIONS; ELECTRON-TRANSFER; AROMATIC-AMINES; OXO(SALEN)CHROMIUM(V) COMPLEXES; ASYMMETRIC CATALYSIS; MOLECULAR-STRUCTURE; MICELLAR-SOLUTIONS; RADICAL-CATION; N,N,N',N'-TETRAMETHYLBENZIDINE AB A comparative study of catalytic activity under homogeneous and heterogeneous conditions was carried out using the (salen)Cr-III-catalyzed oxidation of tetramethylbenzidine (TMB) with iodosobenzene as a model reaction. Amine-functionalized mesoporous silica nanoparticles (MSN) were synthesized in a co-condensation reaction and functionalized with salen via a covalent Si C bond. A Cr(III) complex of this supported ligand, MSN-(salen)Cr-III, was prepared and characterized. Data from powder XRD, BET isotherms and BJH pore size distribution all showed that MSN-(salen)Cr-III still had the typical MSN high surface area, narrow pore size distribution, and ordered hexagonal pore structure, which were further confirmed by transmission electron microscopy (TEM) images. C-13 and Si-29 solid-state NMR data provided structural information about the catalyst and verified successful functionalization of the salen ligand and coordination to Cr(III). No unreacted salen or Cr(III) were observed. The loadings of salen and salen-Cr-III complex were determined via TGA and EDX, respectively. Both measurements indicated that approximately 0.5 mmol/g of catalyst was loaded on the surface of MSN. The oxidation of TMB with iodosobenzene using MSN-(salen)Cr-III as a heterogeneous catalyst exhibited both similarities and differences with the analogous homogeneous reaction using (salen)Cr-III(H2O)(+) as a catalyst in aqueous acetonitrile. In the presence of 0.10 M HClO4, the two catalytic reactions proceeded at similar rates and generated the doubly oxidized product TMB2+. In the absence of acid, the radical cation TMB.+ was produced. The kinetics of the heterogeneous reaction in the absence of added acid responded to concentrations of all three reagents, i.e. (salen)Cr-III, TMB, and PhIO. C1 [Lin, Victor S. Y.] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. Iowa State Univ, Dept Chem, Ames, IA 50011 USA. RP Lin, VSY (reprint author), Iowa State Univ, Ames Lab, Ames, IA 50011 USA. EM vsylin@iastate.edu; mpruski@iastate.edu; bakac@ameslab.gov NR 50 TC 3 Z9 3 U1 5 U2 22 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1477-9226 EI 1477-9234 J9 DALTON T JI Dalton Trans. PY 2009 IS 17 BP 3237 EP 3246 DI 10.1039/b000043g PG 10 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 432UV UT WOS:000265160700014 PM 19421626 ER PT J AU Almesaker, A Gamez, P Reedijk, J Scott, JL Spiccia, L Teat, SJ AF Almesaker, Ann Gamez, Patrick Reedijk, Jan Scott, Janet L. Spiccia, Leone Teat, Simon J. TI Stabilisation of a very short Cu-F bond within the protected cavity of a copper(II) compound from a tris(2-aminoethyl)amine derivative SO DALTON TRANSACTIONS LA English DT Article ID TRIPODAL TETRAAMINE LIGANDS; CATALYTIC-REDUCTION; COORDINATION-NUMBER; MAGNETIC-PROPERTIES; HYDROGEN-BONDS; COMPLEXES; CRYSTAL; TETRADENTATE; HYDROLYSIS; REACTIVITY AB The copper(II) coordination compound of an N-functionalised derivative of tris(2-aminoethyl)amine forms a cavity that is an excellent fluoride ion host, generating a Cu-F entity with a very short distance (182 pm) and characterised by a fluoride ion devoid of any additional intermolecular interactions. C1 [Almesaker, Ann; Gamez, Patrick; Reedijk, Jan] Leiden Univ, Leiden Inst Chem, Gorlaeus Labs, NL-2300 RA Leiden, Netherlands. [Almesaker, Ann; Scott, Janet L.; Spiccia, Leone] Monash Univ, Sch Chem, Clayton, Vic 3800, Australia. [Almesaker, Ann; Scott, Janet L.; Spiccia, Leone] Monash Univ, Ctr Green Chem, Clayton, Vic 3800, Australia. [Teat, Simon J.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Reedijk, J (reprint author), Leiden Univ, Leiden Inst Chem, Gorlaeus Labs, POB 9502, NL-2300 RA Leiden, Netherlands. EM reedijk@chem.leidenuniv.nl; leone.spiccia@monash.edu.au RI Reedijk, Jan/F-1992-2010; Gamez, Patrick/B-3610-2012; Scott, Janet/D-8922-2011; Spiccia, Leone/I-8085-2013 OI Reedijk, Jan/0000-0002-6739-8514; Gamez, Patrick/0000-0003-2602-9525; Scott, Janet/0000-0001-8021-2860; Spiccia, Leone/0000-0003-2258-8506 FU AKF; Australian Research Council through the Centre for Green Chemistry; U.S. Department of Energy [DE-AC02-05CH11231]; Monash Graduate Scholarship; Monash International Postgraduate Research Scholarship FX This work was supported by an AKF grant and the Australian Research Council through the Centre for Green Chemistry. The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. AA acknowledges the award of a Monash Graduate Scholarship and a Monash International Postgraduate Research Scholarship. NR 36 TC 8 Z9 8 U1 1 U2 3 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1477-9226 J9 DALTON T JI Dalton Trans. PY 2009 IS 21 BP 4077 EP 4080 DI 10.1039/b902907a PG 4 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 447ST UT WOS:000266212800003 PM 19452054 ER PT J AU Efremenko, I Top, S Martina, JML Fish, RH AF Efremenko, Irena Top, Siden Martina, Jan M. L. Fish, Richard H. TI A DFT study on the mechanism of a novel, regioselective, intramolecular N-pi rearrangement of cis and trans-eta(1)-N-Cp* Rh-hydroxytamoxifen complexes to their eta(6) derivatives; potential breast cancer pharmaceuticals, and fluorescent probes SO DALTON TRANSACTIONS LA English DT Article ID BIOORGANOMETALLIC CHEMISTRY; MOLECULAR RECOGNITION; ESTROGEN-RECEPTOR; BASIS-SETS; WATER; AFFINITIES; ACCURACY; NITROGEN; LIGANDS; CATION AB The previously reported reactions of cis and trans-hydroxytamoxifen drug derivatives, 1 and 2, with [Cp* Rh(L)(3)](2+) complexes (L = H2O, CH3OH), initially provided the kinetically controled eta(1)-N complexes, 4(OTf, CH3OH) and 5(OTf, CH3OH), which underwent a novel, intramolecular, regioselective N-pi rearrangement to provide the eta(6) complexes, 6 and 7. A dramatic solvent effect was also observed on the rate of this N-pi rearrangement in CH3OH or CH2Cl2. Therefore, a DFT study was conducted that provided further mechanistic and thermodynamic data on this N-pi rearrangement. The preferred structures of both the eta(1)-N and cis eta(6) complexes in the two solvents were determined, and a thorough analysis of their geometries and electronic structures has been provided. The influence of the solvent on the N-pi rearrangement was studied by including the solvent both implicitly using a PCM model, and explicitly by introducing the counterion and/or the solvent molecules into the inner and outer coordination spheres of the complexes. It was shown that the triflate (OTf-) counterion was strongly bound in the inner coordination sphere of the eta(1)-N complexes, 4(OTf) and 5(OTf), and in the outer sphere of the coordinatively saturated eta(6) complexes, 6 and 7, especially in non-polar media. The cleavage of the ionic Cp* Rh-OTf bond was found to be the rate-limiting step in the N-pi rearrangement. The thermodynamic results suggested that the eta(6) complexes were more stable than the eta(1)-N complexes in CH2Cl2 and in CH3OH at elevated temperatures. The opposite relationship for the stabilities of the eta(1)-N complexes was found in CH3OH at room temperature, thus corroborating the experimental results that the N-pi rearrangement did not occur, under these conditions. A plausible mechanistic pathway for the N-pi rearrangement was proposed from our extensive DFT studies, that included several important intermediates and transition states, and provided a unique view of this novel transformation. C1 [Efremenko, Irena; Fish, Richard H.] Weizmann Inst Sci, Dept Organ Chem, IL-76100 Rehovot, Israel. [Top, Siden] Ecole Natl Super Chim Paris, Lab Chim & Biochim Complexes Mol, F-75213 Paris 05, France. [Fish, Richard H.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Efremenko, I (reprint author), Weizmann Inst Sci, Dept Organ Chem, IL-76100 Rehovot, Israel. EM irena.efremenko@weizmann.ac.il; rhfish@lbl.gov RI Efremenko, Irena/C-2169-2009 FU Helen and Martin Kimmel Center for Molecular Design, the Israel Science Foundation [709/05]; Minerva Foundation; Lise Meitner-Minerva Center for Computational Quantum Chemistry (JMLM); CNRS (UMR 7576); Department of Energy [AC02-05CH11231] FX IE gratefully acknowledges the financial support from the Ministry of Immigrant Absorption, State of Israel. Research at the Weizmann Institute of Science was supported by the Helen and Martin Kimmel Center for Molecular Design, the Israel Science Foundation (grant 709/05), the Minerva Foundation, and the Lise Meitner-Minerva Center for Computational Quantum Chemistry (JMLM). ST acknowledges CNRS (UMR 7576) funding for the Bioorganometallic Chemistry program at ENSCP. RHFgratefully acknowledges the Department of Energy under Contract No. DE AC02-05CH11231. NR 42 TC 5 Z9 5 U1 2 U2 7 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1477-9226 J9 DALTON T JI Dalton Trans. PY 2009 IS 22 BP 4334 EP 4343 DI 10.1039/b819474b PG 10 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 449ZV UT WOS:000266371300011 PM 19662311 ER PT J AU Di Bernardo, P Zanonato, PL Tian, GX Tolazzi, M Rao, LF AF Di Bernardo, Plinio Zanonato, Pier Luigi Tian, Guoxin Tolazzi, Marilena Rao, Linfeng TI Thermodynamics of the complexation of uranium(VI) with oxalate in aqueous solution at 10-70 degrees C SO DALTON TRANSACTIONS LA English DT Article ID VARIABLE TEMPERATURES; STRONG ELECTROLYTES; ACETATE; ACID; 25-DEGREES-C; DIANIONS AB The protonation reactions of oxalate (ox) and the complex formation of uranium(VI) with oxalate in 1.05 mol kg(-1) NaClO(4) were studied at variable temperatures (10-70 degrees C). Three U(VI)/ox complexes (UO(2)ox(j)((2-2j)+) with j = 1, 2, 3) were identified in this temperature range. The formation constants and the molar enthalpies of complexation were determined by spectrophotometry and calorimetry. The complexation of uranium(VI) with oxalate ion is exothermic at lower temperatures (10-40 degrees C) and becomes endothermic at higher temperatures (55-70 degrees C). In spite of this, the free energy of complexation becomes more negative at higher temperatures due to increasingly more positive entropy of complexation that exceeds the increase of the enthalpy of complexation. The thermodynamic parameters at different temperatures, in conjunction with the literature data for other dicarboxylic acids, provide insight into the relative strength of U(VI) complexes with a series of dicarboxylic acids (oxalic, malonic and oxydiacetic) and rationalization for the highest stability of U(VI)/oxalate complexes in the series. The data reported in this study are of importance in predicting the migration of uranium(VI) in geological environments in the case of failure of the engineering barriers, which protect waste repositories. C1 [Di Bernardo, Plinio; Zanonato, Pier Luigi] Univ Padua, Dipartimento Sci Chim, I-35131 Padua, Italy. [Tian, Guoxin; Rao, Linfeng] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Tolazzi, Marilena] Univ Udine, Dipartimento Sci & Tecnol Chim, I-33100 Udine, Italy. RP Di Bernardo, P (reprint author), Univ Padua, Dipartimento Sci Chim, I-35131 Padua, Italy. FU Ministero dell'Universita e della Ricerca Scientifica e Tecnologica (MURST, Roma) [COFIN00]; U. S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by the Ministero dell'Universita e della Ricerca Scientifica e Tecnologica (MURST, Roma) within the program COFIN00, and by the Director, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, under U. S. Department of Energy Contract No. DE-AC02-05CH11231 at Lawrence Berkeley National Laboratory. NR 30 TC 9 Z9 9 U1 3 U2 17 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1477-9226 J9 DALTON T JI Dalton Trans. PY 2009 IS 23 BP 4450 EP 4457 DI 10.1039/b901561b PG 8 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 453GF UT WOS:000266597900011 PM 19488442 ER PT J AU Copping, R Talbot-Eeckelaers, C Collison, D Helliwell, M Gaunt, AJ May, I Reilly, SD Scott, BL McDonald, RD Valenzula, OA Jones, CJ Sarsfield, MJ AF Copping, Roy Talbot-Eeckelaers, Catherine Collison, David Helliwell, Madeleine Gaunt, Andrew J. May, Iain Reilly, Sean D. Scott, Brian L. McDonald, Ross D. Valenzula, Oscar A. Jones, Chris J. Sarsfield, Mark J. TI Probing the 5f electrons in a plutonyl(VI) cluster complex SO DALTON TRANSACTIONS LA English DT Article ID PENTAVALENT-URANYL; STRUCTURAL-CHARACTERIZATION; PLUTONIUM COMPOUND; CHEMISTRY; POLYOXOMETALATE; IONS; NEPTUNYL AB We report the structural, spectroscopic and preliminary magnetic characterisation of a tri-metallic plutonyl(VI) polyoxometalate complex, K(11)[K(3)(PuO(2))(3)(GeW(9)O(34))(2)]center dot 12H(2)O. C1 [Copping, Roy; Talbot-Eeckelaers, Catherine] Univ Manchester, Sch Chem, Ctr Radiochem Res, Manchester M13 9PL, Lancs, England. [Gaunt, Andrew J.; May, Iain; Reilly, Sean D.; Scott, Brian L.; McDonald, Ross D.; Valenzula, Oscar A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Valenzula, Oscar A.] Ctr Invest Mat Avanzados SC Miguel de Cervantes 1, Chihuahua 31109, Chih, Mexico. [Jones, Chris J.; Sarsfield, Mark J.] UK Natl Nucl Lab, Cent Lab, Seascale CA20 1PG, Cumbria, England. RP Copping, R (reprint author), Univ Manchester, Sch Chem, Ctr Radiochem Res, Oxford Rd, Manchester M13 9PL, Lancs, England. EM iainmay@lanl.gov RI McDonald, Ross/H-3783-2013; Scott, Brian/D-8995-2017; OI McDonald, Ross/0000-0002-0188-1087; Scott, Brian/0000-0003-0468-5396; Gaunt, Andrew/0000-0001-9679-6020; Mcdonald, Ross/0000-0002-5819-4739 FU EPSRC [EP/C013360/1] FX We acknowledge theHeavy Element Chemical Research Program, Chemical Sciences Division of the Of. ce of Basic Energy Sciences, United StatesDepartment of Energy, The Los Alamos Laboratory Directed Research and Development Program, Nexia Solutions (through the UK Nuclear Decommissioning Authority) and the EPSRC (specifically Grant EP/C013360/1) for funding. We are also grateful to P. Sengupta and J. Singleton (LANL) for fruitful discussions. NR 39 TC 8 Z9 8 U1 2 U2 20 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1477-9226 J9 DALTON T JI Dalton Trans. PY 2009 IS 29 BP 5609 EP 5611 DI 10.1039/b908648j PG 3 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 470NG UT WOS:000267981000004 PM 20449073 ER PT J AU Poineau, F Gagliardi, L Forster, PM Sattelberger, AP Czerwinski, KR AF Poineau, Frederic Gagliardi, Laura Forster, Paul M. Sattelberger, Alfred P. Czerwinski, Kenneth R. TI Crystal structure of octabromoditechnetate(III) and a multi-configurational quantum chemical study of the delta ->delta* transition in quadruply bonded [M2X8](2-) dimers (M = Tc, Re; X = Cl, Br) SO DALTON TRANSACTIONS LA English DT Article ID ELECTRONIC-STRUCTURE; CHEMISTRY; COMPLEXES; SPECTRUM; LENGTH; SALT AB The technetium(III) compound (n-Bu4N)(2)[Tc2Br8] was prepared by metathesis of (n-Bu4N)(2)[Tc2Cl8] with concentrated aqueous HBr in acetone and recrystallized from acetone-diethyl ether solution (2 : 1 v/ v). The acetone solvate obtained, (n-Bu4N)(2)[Tc2Br8]center dot 4[(CH3)(2)CO] (1), crystallizes in the monoclinic space group P2(1)/n with a = 13.8959(8)angstrom, b = 15.2597(9)angstrom, c = 15.5741(9)angstrom, beta = 109.107(1)degrees, R-1 = 0.028, and Z = 4. The Tc-Tc distance (2.1625(9)angstrom) and the average Tc-Br distances (2.4734(7)angstrom) are in excellent agreement with those previously determined by EXAFS spectroscopy. These and other experimental data on quadruply metal-metal bonded group 7 [M2X8](2-) dimers (M = Tc, Re; X = Cl, Br) are compared to the results of a set of multi-configurational quantum chemical studies. The calculated molecular structures of the ground states are in very good agreement with the structures determined experimentally. The theory overestimates the delta ->delta* transition energies by some 1 000 cm(-1), but mimics the trends in delta ->delta* energies across the series. C1 [Poineau, Frederic; Forster, Paul M.; Sattelberger, Alfred P.; Czerwinski, Kenneth R.] Univ Nevada, Dept Chem, Las Vegas, NV 89154 USA. [Gagliardi, Laura] Sci II Univ Geneva, Dept Phys Chem, CH-121 Geneva, Switzerland. [Gagliardi, Laura] Univ Minnesota, Dept Chem, Minneapolis, MN 55455 USA. [Gagliardi, Laura] Univ Minnesota, Inst Supercomp, Minneapolis, MN 55455 USA. [Sattelberger, Alfred P.] Argonne Natl Lab, Energy Sci & Engn Directorate, Argonne, IL 60439 USA. RP Poineau, F (reprint author), Univ Nevada, Dept Chem, Las Vegas, NV 89154 USA. EM freder29@unlv.nevada.edu; laura.gagliardi@chiphy.unige.ch NR 26 TC 18 Z9 18 U1 0 U2 13 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1477-9226 J9 DALTON T JI Dalton Trans. PY 2009 IS 30 BP 5954 EP 5959 DI 10.1039/b902106j PG 6 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 473JE UT WOS:000268201400017 PM 19623396 ER PT J AU Roy, LE Scalmani, G Kobayashi, R Batista, ER AF Roy, Lindsay E. Scalmani, Giovanni Kobayashi, Rika Batista, Enrique R. TI Theoretical studies on the stability of molecular platinum catalysts for hydrogen production SO DALTON TRANSACTIONS LA English DT Article ID VISIBLE-LIGHT; AQUEOUS-SOLUTIONS; COMPLEXES; WATER; GENERATION; IRRADIATION; STORAGE; ENERGY AB We have performed DFT and TD-DFT calculations on Pt(dcbpy)Cl(2) (1) and [Pt(ttpy)phenylacetylide](+) (2(+)) to study the stability of these Pt(II) species upon reduction and photoexcitation; we found that while these compounds are stable upon reduction, photoexcitation of the reduced species leads to dissociation of the ligand set. C1 [Roy, Lindsay E.; Batista, Enrique R.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Scalmani, Giovanni] Gaussian Inc, Wallingford, CT 06492 USA. [Kobayashi, Rika] Australian Natl Univ, Supercomp Facil, Canberra, ACT 0200, Australia. RP Batista, ER (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM erb@lanl.gov RI Scalmani, Giovanni/B-8966-2011 FU Los Alamos National Laboratory; U.S. Department of Energy [DE-AC52-06NA25396] FX This work was supported by the Laboratory Directed Research and Development (LDRD) program at Los Alamos National Laboratory. Los Alamos National Laboratory is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the U.S. Department of Energy under contract DE-AC52-06NA25396. NR 21 TC 11 Z9 11 U1 0 U2 3 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1477-9226 J9 DALTON T JI Dalton Trans. PY 2009 IS 34 BP 6719 EP 6721 DI 10.1039/b911019b PG 3 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 484XA UT WOS:000269082100008 PM 19690681 ER PT J AU Pailloux, S Shirima, CE Ray, AD Duesler, EN Smith, KA Paine, RT Klaehn, JR McIlwain, ME Hay, BP AF Pailloux, Sylvie Shirima, Cornel Edicome Ray, Alisha D. Duesler, Eileen N. Smith, Karen Ann Paine, Robert T. Klaehn, John R. McIlwain, Michael E. Hay, Benjamin P. TI Synthesis and lanthanide coordination chemistry of trifluoromethyl derivatives of phosphinoylmethyl pyridine N-oxides SO DALTON TRANSACTIONS LA English DT Article ID ACIDIC RADIOACTIVE-WASTE; EXTRACTION UNEX PROCESS; STRONTIUM; SOLVENT; CESIUM; SEPARATION; ACTINIDES AB A synthetic route for the formation of 2-[bis(2-trifluoromethylphenyl)phosphinoylmethyl]pyridine N-oxide (1c) and 2-[bis(3,5-trifluoromethylphenyl)phosphinoylmethyl]pyridineN-oxide (1d) was developed and the new ligands characterized by spectroscopic methods and single-crystal X-ray diffraction analyses. The coordination chemistry of 1c was examined with Yb(NO(3))(3) and the molecular structure of one complex, [Yb(1c)(NO(3))(3)(DMF)]center dot DMF center dot 0.5H(2)O, was determined by single-crystal X-ray diffraction methods. The ligand is found to coordinate in a bidentate fashion, and this is compared against lanthanide coordination chemistry observed for the related ligand, [Ph(2)P(O)CH(2)]C(5)H(4)NO. C1 [Pailloux, Sylvie; Shirima, Cornel Edicome; Ray, Alisha D.; Duesler, Eileen N.; Smith, Karen Ann; Paine, Robert T.] Univ New Mexico, Dept Chem, Albuquerque, NM 87131 USA. [Klaehn, John R.; McIlwain, Michael E.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Hay, Benjamin P.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Paine, RT (reprint author), Univ New Mexico, Dept Chem, Albuquerque, NM 87131 USA. EM rtpaine@unm.edu RI Klaehn, John/C-6011-2017; OI Klaehn, John/0000-0002-7077-4509; Pailloux, Sylvie/0000-0001-7318-7089 FU U. S. Department of Energy (DOE), Chemical Sciences, Geosciences and Biosciences Office, Office of Basic Energy Sciences [DE-FG02-03ER15419] FX Financial support for this study at UNM was provided by the U. S. Department of Energy (DOE), Chemical Sciences, Geosciences and Biosciences Office, Office of Basic Energy Sciences (Grant DE-FG02-03ER15419). NR 23 TC 16 Z9 16 U1 2 U2 12 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1477-9226 J9 DALTON T JI Dalton Trans. PY 2009 IS 36 BP 7486 EP 7493 DI 10.1039/b905947d PG 8 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 490IK UT WOS:000269493900024 PM 19727471 ER PT J AU English, CM Eckert, C Brown, K Seibert, M King, PW AF English, Christine M. Eckert, Carrie Brown, Katherine Seibert, Michael King, Paul W. TI Recombinant and in vitro expression systems for hydrogenases: new frontiers in basic and applied studies for biological and synthetic H-2 production SO DALTON TRANSACTIONS LA English DT Review ID NAD-REDUCING HYDROGENASE; FE-ONLY HYDROGENASE; DESULFOVIBRIO-VULGARIS HILDENBOROUGH; PHOTOELECTROCHEMICAL BIOFUEL CELL; FREQUENCY NUCLEAR TRANSFORMATION; DOMINANT SELECTABLE MARKER; MEMBRANE-BOUND HYDROGENASE; LEGUMINOSARUM BV VICIAE; RALSTONIA-EUTROPHA H16; X-RAY-ABSORPTION AB This review focuses on recent progress in developing heterologous and recombinant expression as well as in vitro maturation systems for the biosynthesis of active [FeFe] and [NiFe]-hydrogenases, which catalyze the reversible reaction, H-2 <-> 2e(-) + 2H(+). Activities of [FeFe] and [NiFe]-hydrogenases produced from different recombinant and in vitro maturation approaches are compared. Examples of how hydrogenase expression supports basic and applied studies of these enzymes are presented, and barriers to achieving more viable biological and synthetic H-2-production systems and catalysts are addressed. C1 [English, Christine M.; Eckert, Carrie; Brown, Katherine; Seibert, Michael; King, Paul W.] Natl Renewable Energy Lab, Biosci Ctr, Golden, CO USA. RP Seibert, M (reprint author), Natl Renewable Energy Lab, Biosci Ctr, 1617 Cole Blvd, Golden, CO USA. EM mike.seibert@nrel.gov RI King, Paul/D-9979-2011 OI King, Paul/0000-0001-5039-654X FU Fuel Cell Technologies Program, EERE, U. S. Department of Energy FX The authors would like thank their current and past colleagues in the Photobiology Group at NREL for their contributions to the NREL work discussed in this article and for many stimulating discussions over the past decade. This work was supported by the Fuel Cell Technologies Program, EERE, U. S. Department of Energy. NR 140 TC 20 Z9 22 U1 1 U2 18 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1477-9226 J9 DALTON T JI Dalton Trans. PY 2009 IS 45 BP 9970 EP 9978 DI 10.1039/b913426n PG 9 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 518SX UT WOS:000271714800004 PM 19904422 ER PT J AU Wu, XN Weare, WW Frei, H AF Wu, Xiuni Weare, Walter W. Frei, Heinz TI Binuclear TiOMn charge-transfer chromophore in mesoporous silica SO DALTON TRANSACTIONS LA English DT Article ID FT-IR SPECTROSCOPY; VISIBLE-LIGHT; MOLECULAR-SIEVE; WATER OXIDATION; REDOX CHEMISTRY; OXIDE CLUSTERS; FEALPO4 SIEVE; COMPLEXES; METHANOL; ABSORPTION AB An all-inorganic heterobinuclear chromophore consisting of Ti(IV) oxo-bridged to a Mn(II) center has been assembled on the surface of silica pores of MCM-41 material. The key step of covalent attachment on the pore surface is the reaction of a MnII precursor featuring weakly held CH(3)CN ligands with the OH group of a previously anchored titanol site. The optical diffuse reflectance spectrum reveals a Ti(IV)OMn(II) -> Ti(III)OMn(III) metal-to-metal charge-transfer (MMCT) absorption extending from the UV throughout to visible into the red spectral region. FT-IR, FT-Raman and optical spectroscopy confirm that the material is free of Mn oxide clusters, while EPR and Mn K-edge X-ray absorption spectra indicate that the donor center is predominantly in oxidation state +2. In situ FT-IR spectroscopy allowed detection of visible light-induced redox chemistry of the MMCT unit using O(2) ((18)O(2)) and methanol as acceptor and donor probe molecules, respectively. Formate and water were observed as primary products, with methyl formate emerging as a secondary condensation product. The observed photochemistry demonstrates that excitation of the TiIVOMnII. TiIIIOMnIII results in complete transfer of an electron from donor to acceptor center, with the charge separation sufficiently long lived for initiation of redox chemistry to occur. With donor and acceptor redox potentials appropriate for driving multi-electron catalysts for water oxidation, proton or CO(2) reduction, the TiOMn(II) unit is an attractive candidate as a charge-transfer chromophore in a solar fuel generating system. C1 [Wu, Xiuni; Weare, Walter W.; Frei, Heinz] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Frei, H (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. OI Weare, Walter/0000-0001-5794-9418 FU U. S. Department of Energy [DE-AC02-05CH11231]; Department of Energy, Office of Biological and Environmental Research; National Institutes of Health; National Center for Research Resources; Biomedical Technology Program FX This work was supported by the Director, Office of Science, Office of Basic Energy Sciences, Division of Chemical, Geological and Biosciences of the U. S. Department of Energy under Contract No. DE-AC02-05CH11231. Portions of this research were carried out at the Stanford Synchrotron Radiation Laboratory, a national user facility operated by Stanford University on behalf of the U. S. Department of Energy, Office of Basic Energy Sciences. The SSRL StructuralMolecular Biology Program is supported by the Department of Energy, Office of Biological and Environmental Research, and by the National Institutes of Health, National Center for Research Resources, Biomedical Technology Program. We thank Dr Vittal Yachandra (LBNL) for access to his EPR facility and assistance with the measurements. NR 35 TC 26 Z9 26 U1 1 U2 22 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1477-9226 J9 DALTON T JI Dalton Trans. PY 2009 IS 45 BP 10114 EP 10121 DI 10.1039/b915946k PG 8 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 518SX UT WOS:000271714800021 PM 19904439 ER PT J AU Poineau, F Weck, PF Forster, PM Sattelberger, AP Czerwinski, KR AF Poineau, Frederic Weck, Philippe F. Forster, Paul M. Sattelberger, Alfred P. Czerwinski, Kenneth R. TI Synthesis, structure, and first-principles calculations of [TcBr2(PMe3)(4)] and [Tc2Br4(PMe3)(4)] complexes SO DALTON TRANSACTIONS LA English DT Article ID CRYSTAL-STRUCTURES; TRIMETHYLPHOSPHINE COMPLEXES; TECHNETIUM; DERIVATIVES; MONONUCLEAR; MOLYBDENUM; MOLECULES; TUNGSTEN; HALIDES AB The new technetium(II) complexes, [TcBr2(PMe3)(4)] 1 and [Tc2Br4(PMe3)(4)] 2, were synthesized from TcBr3 and characterized by single-crystal X-ray diffraction (XRD), first-principles calculations and UV-vis spectroscopy. Complex 1 is the first of the trans-dihalo-tetrakis-trialkylphosphine metallate(II) class reported for group VII, while 2 is the first Tc(II) dimer with bromide ligands. Compounds 1 and 2 are isostructural with their molybdenum analogs. XRD analysis indicates that 1 crystallizes in the tetragonal space group I (4) over bar 2m, with D-2d molecular point-group symmetry, and with Tc-Br = 2.5925(7) angstrom and Tc-P = 2.4213(11) angstrom. Compound 2 crystallizes in the monoclinic space group C2/c with Tc-Br = 2.520(1) angstrom, Tc-P = 2.441(1) angstrom and Tc-Tc = 2.1316(5) angstrom. Density functional theory (DFT) calculations for 1 and 2, as well as for the molybdenum homologues, are in good overall agreement with the XRD structural data. C1 [Poineau, Frederic; Weck, Philippe F.; Forster, Paul M.; Sattelberger, Alfred P.; Czerwinski, Kenneth R.] Univ Nevada, Dept Chem, Las Vegas, NV 89154 USA. [Sattelberger, Alfred P.] Argonne Natl Lab, Energy Sci & Engn Directorate, Argonne, IL 60439 USA. RP Poineau, F (reprint author), Univ Nevada, Dept Chem, Las Vegas, NV 89154 USA. EM freder29@unlv.nevada.edu OI , Philippe/0000-0002-7610-2893; Forster, Paul/0000-0003-3319-4238 FU US Department of Energy [0089445] FX The authors thank Mr Tom O'Dou for outstanding health physics support. We also acknowledge Dr Carol J. Burns ( Los Alamos National Laboratory) for a generous loan of ammonium pertechnetate. Funding for this research was provided by a subcontract through Battelle 0089445 from the US Department of Energy, agreement no. DE-AC07-05ID14517. NR 23 TC 9 Z9 9 U1 1 U2 3 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1477-9226 J9 DALTON T JI Dalton Trans. PY 2009 IS 46 BP 10338 EP 10342 DI 10.1039/b915968a PG 5 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 521GD UT WOS:000271907500026 PM 19921070 ER PT S AU Soufli, R Baker, SL Robinson, JC Gullikson, EM McCarville, TJ Pivovaroff, MJ Stefan, P Hau-Riege, SP Bionta, R AF Soufli, Regina Baker, Sherry L. Robinson, Jeff C. Gullikson, Eric M. McCarville, Tom J. Pivovaroff, Michael J. Stefan, Peter Hau-Riege, Stefan P. Bionta, Richard BE Juha, L Bajt, S Sobierajski, R TI Morphology, microstructure, stress and damage properties of thin film coatings for the LCLS x-ray mirrors SO DAMAGE TO VUV, EUV, AND X-RAY OPTICS II SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Damage to VUV, EUV, and X-ray Optics II CY APR 21-23, 2009 CL Prague, CZECH REPUBLIC SP SPIE DE free-electron lasers; x-ray optics; boron carbide; silicon carbide ID BORON-CARBIDE COATINGS; EXTREME-ULTRAVIOLET; OPTICAL-PROPERTIES; CONSTANTS; B4C AB The development and properties of reflective coatings for the x-ray offset mirror systems of the Linac Coherent Light Source (LCLS) free-electron laser (FEL) are discussed in this manuscript. The uniquely high instantaneous dose of the LCLS FEL beam translates to strict limits in terms of materials choice, thus leading to an x-ray mirror design consisting of a reflective coating deposited on a silicon substrate. Coherent wavefront preservation requirements for these mirrors result in stringent surface figure and finish specifications. DC-magnetron sputtered B4C and SiC thin film coatings with optimized stress, roughness and figure properties for the LCLS x-ray mirrors are presented. The evolution of microstructure, morphology, and stress of these thin films versus deposition conditions is discussed. Experimental results on the performance of these coatings with respect to FEL damage are also presented. C1 [Soufli, Regina; Baker, Sherry L.; Robinson, Jeff C.; McCarville, Tom J.; Pivovaroff, Michael J.; Hau-Riege, Stefan P.; Bionta, Richard] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Soufli, R (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. EM regina.soufli@llnl.gov RI Pivovaroff, Michael/M-7998-2014 OI Pivovaroff, Michael/0000-0001-6780-6816 NR 32 TC 9 Z9 9 U1 1 U2 10 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-7635-7 J9 PROC SPIE PY 2009 VL 7361 AR 73610U DI 10.1117/12.823836 PG 9 WC Optics SC Optics GA BYQ59 UT WOS:000299776200024 ER PT S AU McKellar, BHJ Goldman, T Stephenson, GJ Alsing, PM AF McKellar, B. H. J. Goldman, T. Stephenson, G. J., Jr. Alsing, P. M. BE Balazs, C Wang, F TI Epoch dependent dark energy SO DARK SIDE OF THE UNIVERSE SE AIP Conference Proceedings LA English DT Proceedings Paper CT 5th International Workshop on the Dark Side of the Universe CY JUN 01-05, 2009 CL Melbourne, AUSTRALIA SP Madrid Autonoma Univ, Theoret Phys Inst, Monash Univ, Sch Phys, Univ Melbourne, Sch Phys, European Phys Journal DE Dark energy; Mass-varying fermions ID ACCELERATING UNIVERSE; NEUTRINO; RANGE AB We present a model in which the parameter w approaches -1 near a particular value of z, and has significant negative values in a restricted range of z. For example, one can have w approximate to -1 near z = 1, and w > -0.2 from z = 0 to z = 0.3, and for z > 9. The ingredients of the model are neutral fermions (which may be neutrinos, neutralinos, etc) which are very weakly coupled to a light scalar field. This model emphasises the importance of the proposed studies of the properties of dark energy into the region z > 1. C1 [McKellar, B. H. J.] Univ Melbourne, Sch Phys, Melbourne, Vic 3010, Australia. [Goldman, T.] Los Alamos Natl Lab, Dept Theoret, Los Alamos, NM 87545 USA. [Stephenson, G. J., Jr.; Alsing, P. M.] Univ New Mexico, Dept Phys & Astron, Albuquerque, NM 87131 USA. RP McKellar, BHJ (reprint author), Univ Melbourne, Sch Phys, Melbourne, Vic 3010, Australia. FU National Nuclear Security Administration of the U.S. Department of Energy at Los Alamos National Laboratory [DE-AC52-06NA25396]; Australian Research Council FX This work was carried out in part under the auspices of the National Nuclear Security Administration of the U.S. Department of Energy at Los Alamos National Laboratory under Contract No. DE-AC52-06NA25396 and supported in part by the Australian Research Council. NR 13 TC 1 Z9 1 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0719-0 J9 AIP CONF PROC PY 2009 VL 1178 BP 118 EP + DI 10.1063/1.3264545 PG 2 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA BPR84 UT WOS:000279742900017 ER PT B AU Jia, J Hill, J Fann, G Harrison, RJ AF Jia, Jun Hill, Judith Fann, George Harrison, Robert J. BE Guo, Q Guo, Y TI MULTIRESOLUTION FAST METHODS FOR A PERIODIC 3-D NAVIER-STOKES SOLVER SO DCABES 2009: THE 8TH INTERNATIONAL SYMPOSIUM ON DISTRIBUTED COMPUTING AND APPLICATIONS TO BUSINESS, ENGINEERING AND SCIENCE, PROCEEDINGS LA English DT Proceedings Paper CT 8th International Symposium on Distributed Computing and Applications to Business, Engineering and Science CY OCT 16-19, 2009 CL Wuhan Univ Technol, Sch Comp Sci & Technol, Wuhan, PEOPLES R CHINA SP Natl Parallel Comp Soc China, ISTCA, CAA HO Wuhan Univ Technol, Sch Comp Sci & Technol DE Multiwavelets; Multiresolution Analysis; Low-separation rank approximation; High order discretization; Navier Stokes equation ID 3 DIMENSIONS; EQUATIONS; REPRESENTATION; ALGORITHM; OPERATORS; BASES AB We describe the construction of an approximation of the Green's function for the Poisson kernel and the Helmholtz kernel and its application to solving the Navier-Stokes equations in a 3-D periodic domain using a multiresolution analysis approach. A low-separation approximation of the Poisson kernel and the Helmholtz kernel arc constructed based on Bcylkin-Mohlenkamp's low-separation rank approach and a fast lattice sum. The Poisson kernel is applied to solve the Poisson equation for the pressure, and the Helmholtz operator is applied to solve the backward Euler implicit time-stepping problem. C1 [Jia, Jun; Hill, Judith; Fann, George; Harrison, Robert J.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Jia, J (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM jiaj@ornl.gov NR 15 TC 2 Z9 2 U1 0 U2 5 PU PUBLISHING HOUSE ELECTRONICS INDUSTRY PI BEIJING PA PO BOX 173 WANSHOU ROAD, BEIJING 100036, PEOPLES R CHINA BN 978-7-121-09595-5 PY 2009 BP 13 EP 16 PG 4 WC Computer Science, Hardware & Architecture; Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BNZ20 UT WOS:000275915500004 ER PT B AU Hodapp, KW Aldering, G Meech, KJ Cochran, A AF Hodapp, K. W. Aldering, G. Meech, K. J. Cochran, A. BE Kaufl, HU Sterken, C TI Spectrophotometry of the Deep Impact Ejecta of Comet 9P/Tempel 1 SO DEEP IMPACT AS A WORLD OBSERVATORY EVENT: SYNERGIES IN SPACE, TIME, AND WAVELENGTH SE ESO ASTROPHYSICS SYMPOSIA LA English DT Proceedings Paper CT Conference on Deep Impact as a World Observatory Event - Synergies in Space, Time and Wavelength CY AUG 07-10, 2006 CL Brussels, BELGIUM SP ESO, VUB AB We have obtained optical spectrophotometry of the evolution of comet 9P/Tempel 1 after the impact of the Deep Impact spacecraft [1], using the SNIFS Supernova Integral Field Spectrograph at the UH 2.2 m telescope. From the data cubes, we extracted both continuum flux distributions is well is emission line fluxes of the violet CN system and of [OI]. We found that the continuum brightness of the comet, i.e., scattered sunlight, started rising immediately after the impact, but that the ejecta were slightly bluer in color than the material normally released by the comet;. The emission of [OI] at 630 run, which is a tracer of water, rose similar to the scattered continuum light, but then remained nearly constant for several hours after impact. We found that CN emission at 388 nm centered on the nuclei-is was delayed compared to the rise of dust-scattered sunlight. This CN emission also expanded faster spatially than the cloud of scattering dust. C1 [Hodapp, K. W.] Univ Hawaii, Inst Astron, 640 N Aohoku Pl, Hilo, HI 96720 USA. [Aldering, G.] Lawrence Berkeley Lab, Div Phys, Berkeley, CA 94720 USA. [Meech, K. J.] Univ Hawaii, Inst Astron, Honolulu, HI 96822 USA. [Meech, K. J.] NASA, Astrobiol Inst, Honolulu, HI 96822 USA. [Cochran, A.] Univ Texas Austin, McDonald Observ, Austin, TX 78712 USA. RP Hodapp, KW (reprint author), Univ Hawaii, Inst Astron, 640 N Aohoku Pl, Hilo, HI 96720 USA. EM hodapp@ifa.hawaii.edu; galdering@lbl.gov; meech@ifa.hawaii.edu; anita@astro.as.utexas.edu NR 5 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY BN 978-3-540-76958-3 J9 ESO ASTROPHY SYMP PY 2009 BP 215 EP + DI 10.1007/978-3-540-76959-0_27 PG 2 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA BIS26 UT WOS:000262404900027 ER PT S AU Chittenden, JP Niasse, NP Jennings, CA AF Chittenden, J. P. Niasse, N. P. Jennings, C. A. BE Hammer, DA Kusse, BR TI Magneto-Hydrodynamic Modeling in the Design and Interpretation of Wire Array Z-pinches SO DENSE Z-PINCHES SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th International Conference on Dense Z-Pinches CY AUG 12-21, 2008 CL Alexandria, VA SP US DOE, Natl Nucl Secur Agcy, US DOE, Off Fus Energy Sci, US Naval Res Lab, Sandia Natl Lab DE Wire Array Z-pinches AB Magneto-hydrodynamic simulations provide a powerful tool for improving our understanding of the complex physical processes underlying the behavior of wire array Z-pinches. We show how, by using large scale parallel 3D simulations of the array as a whole, it is possible to encompass all of the important features of the wire ablation, implosion and stagnation phases and to observe how these phenomena control the X-ray pulse that is achieved. Comparison of code results with experimental data from the 'Z' and MAGPIE pulsed power generators is shown to provide a detailed benchmark test for the models. The simulation results are also used to highlight key areas for future research. C1 [Chittenden, J. P.; Niasse, N. P.] Univ London Imperial Coll Sci Technol & Med, London SW7 2BW, England. [Jennings, C. A.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Chittenden, JP (reprint author), Univ London Imperial Coll Sci Technol & Med, London SW7 2BW, England. NR 6 TC 4 Z9 4 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0620-9 J9 AIP CONF PROC PY 2009 VL 1088 BP 3 EP + PG 2 WC Physics, Fluids & Plasmas SC Physics GA BJE50 UT WOS:000265177700001 ER PT S AU Ampleford, DJ Lebedev, SV Ciardi, A Bland, SN Hall, GN Bott, SC Suzuki-Vidal, F Palmer, JBA Jennings, CA Chittenden, JP AF Ampleford, D. J. Lebedev, S. V. Ciardi, A. Bland, S. N. Hall, G. N. Bott, S. C. Suzuki-Vidal, F. Palmer, J. B. A. Jennings, C. A. Chittenden, J. P. BE Hammer, DA Kusse, BR TI Astrophysical Jets with Conical Wire Arrays: Radiative Cooling, Rotation & Deflection SO DENSE Z-PINCHES SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th International Conference on Dense Z-Pinches CY AUG 12-21, 2008 CL Alexandria, VA SP US DOE, Natl Nucl Secur Agcy, US DOE, Off Fus Energy Sci, US Naval Res Lab, Sandia Natl Lab DE Wire array; supersonic jets; laboratory astrophysics; protostellar jets; rotating plasma ID LABORATORY ASTROPHYSICS AB Highly collimated outflows or jets are produced by a number of astrophysical objects including protostars. The morphology and collimation of these jets is thought to be strongly influenced by the effects of radiative cooling, angular momentum and the interstellar medium surrounding the jet. Astrophysically relevant experiments are performed with conical wire array z-pinches investigating each of these effects. It is possible in each case to enter the appropriate parameter regime, leading the way towards future experiments where these different techniques can be more fully combined. C1 [Ampleford, D. J.; Jennings, C. A.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Ampleford, DJ (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. RI Hall, Gareth/C-4179-2015 NR 9 TC 1 Z9 1 U1 0 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0620-9 J9 AIP CONF PROC PY 2009 VL 1088 BP 83 EP 88 PG 6 WC Physics, Fluids & Plasmas SC Physics GA BJE50 UT WOS:000265177700019 ER PT S AU Jones, B Cuneo, ME Ampleford, DJ Coverdale, CA Waisman, EA Vesey, RA Jones, MC Esaulov, AA Kantsyrev, VL Safronova, AS Chuvatin, AS Rudakov, LI AF Jones, B. Cuneo, M. E. Ampleford, D. J. Coverdale, C. A. Waisman, E. A. Vesey, R. A. Jones, M. C. Esaulov, A. A. Kantsyrev, V. L. Safronova, A. S. Chuvatin, A. S. Rudakov, L. I. BE Hammer, DA Kusse, BR TI Planar Wire Array Dynamics and Radiation Scaling at Multi-MA Levels on the Saturn Pulsed Power Generator SO DENSE Z-PINCHES SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th International Conference on Dense Z-Pinches CY AUG 12-21, 2008 CL Alexandria, VA SP US DOE, Natl Nucl Secur Agcy, US DOE, Off Fus Energy Sci, US Naval Res Lab, Sandia Natl Lab AB Planar wire arrays are studied at 3-6 MA on the Saturn pulsed power generator as potential drivers of compact hohlraums for inertial confinement fusion studies. Comparison with zero-dimensional modeling suggests that there is significant trailing mass. The modeled energy coupled from the generator cannot generally explain the energy in the main x-ray pulse. Preliminary comparison at 1-6 MA indicates sub-quadratic scaling of x-ray power in a manner similar to compact cylindrical wire arrays. Time-resolved pinhole images are used to study the implosion dynamics. C1 [Jones, B.; Cuneo, M. E.; Ampleford, D. J.; Coverdale, C. A.; Waisman, E. A.; Vesey, R. A.; Jones, M. C.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Jones, B (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 12 TC 0 Z9 0 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0620-9 J9 AIP CONF PROC PY 2009 VL 1088 BP 109 EP 112 PG 4 WC Physics, Fluids & Plasmas SC Physics GA BJE50 UT WOS:000265177700024 ER PT S AU Chuvatin, AS Kantsyrev, VL Rudakov, LI Cuneo, ME Astanovitskiy, AL Presura, R Safronova, AS Esaulov, AA Cline, W Williamson, KM Shrestha, I Yilmaz, MF Osborne, GC Weller, M Jarrett, T LeGalloudec, B Nalajala, V Pointon, TD Mikkelson, KA AF Chuvatin, A. S. Kantsyrev, V. L. Rudakov, L. I. Cuneo, M. E. Astanovitskiy, A. L. Presura, R. Safronova, A. S. Esaulov, A. A. Cline, W. Williamson, K. M. Shrestha, I. Yilmaz, M. F. Osborne, G. C. Weller, M. Jarrett, T. LeGalloudec, B. Nalajala, V. Pointon, T. D. Mikkelson, K. A. BE Hammer, DA Kusse, BR TI Design and Testing of a Load Current Multiplier on Zebra Facility SO DENSE Z-PINCHES SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th International Conference on Dense Z-Pinches CY AUG 12-21, 2008 CL Alexandria, VA SP US DOE, Natl Nucl Secur Agcy, US DOE, Off Fus Energy Sci, US Naval Res Lab, Sandia Natl Lab DE pulse power; high energy density physics; z-pinches AB The Load Current Multiplier concept (LCM) was validated for the first time on a high-voltage nanosecond pulse-power generator. The designed new device allowed to increase the load current from the nominal 0.8-0.9 MA up to 1.6 MA in static loads with constant inductance and up to 1.4 MA in a planar wire-array plasma loads. These results were achieved without modifying the generator energetic or architecture. LCM allowed both the load magnetic energy increase and the increase of soft X-ray radiation from z-pinch plasmas. C1 [Chuvatin, A. S.] Ecole Polytech, Lab Phys & Technol Plasmas, F-91128 Palaiseau, France. [Kantsyrev, V. L.; Cuneo, M. E.; Astanovitskiy, A. L.; Presura, R.; Safronova, A. S.; Esaulov, A. A.; Cline, W.; Williamson, K. M.; Shrestha, I.; Yilmaz, M. F.; Osborne, G. C.; Weller, M.; Jarrett, T.; LeGalloudec, B.; Nalajala, V.] Univ Nevada, Reno, NV 89557 USA. [Kantsyrev, V. L.] Icarus Res Inc, Bhethesda, MD 20824 USA. [Pointon, T. D.; Mikkelson, K. A.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Chuvatin, AS (reprint author), Ecole Polytech, Lab Phys & Technol Plasmas, F-91128 Palaiseau, France. FU Sandia National Laboratories [DOE/SNL 681371, 686929, 530307]; CNRS, France; DOE/DGA-SNL/CEG; DOE under NNSA [DE-FC52-06NA27586, DE-FC52- 06NA27588]; United States Department of Energy's National Nuclear Security Administration [DE-ACO4-94AL85000]; [DE-FC52-06NA27616] FX This work is supported by Sandia National Laboratories under contracts DOE/SNL 681371, 686929 and 530307, by CNRS, France, by DOE/DGA-SNL/CEG agreement, by DOE under NNSA Cooperative Agreements DE-FC52-06NA27586, DE-FC52- 06NA27588, and in part by DE-FC52-06NA27616. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under contract DE-ACO4-94AL85000. NR 5 TC 6 Z9 6 U1 0 U2 1 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0620-9 J9 AIP CONF PROC PY 2009 VL 1088 BP 253 EP + PG 2 WC Physics, Fluids & Plasmas SC Physics GA BJE50 UT WOS:000265177700057 ER PT S AU Rose, DV Welch, DR Madrid, EA Miller, CL Clark, RE Stygar, WA Struve, K Corcoran, PA Whitney, B AF Rose, D. V. Welch, D. R. Madrid, E. A. Miller, C. L. Clark, R. E. Stygar, W. A. Struve, K. Corcoran, P. A. Whitney, B. BE Hammer, DA Kusse, BR TI Electromagnetic Wave Propagation Through the ZR Z-Pinch Accelerator SO DENSE Z-PINCHES SE AIP Conference Proceedings LA English DT Proceedings Paper CT 7th International Conference on Dense Z-Pinches CY AUG 12-21, 2008 CL Alexandria, VA SP US DOE, Natl Nucl Secur Agcy, US DOE, Off Fus Energy Sci, US Naval Res Lab, Sandia Natl Lab DE z-pinch accelerator; particle-in-cell code AB A fully three-dimensional electromagnetic model of the major pulsed power components of the 26-MA ZR accelerator is presented. This large-scale simulation model tracks the evolution of electromagnetic waves through the intermediate storage capacitors, laser-triggered gas switches, pulse-forming lines, water switches, tri-plate transmission lines, and water convolute to the vacuum insulator stack. The plates at the insulator stack are coupled to a transmission line circuit model of the four-level magnetically-insulated transmission line section and post-hole convolutes. The vacuum section circuit model is terminated by either a short-circuit load or dynamic models of imploding z-pinch loads. The simulations results are compared with electrical measurements made throughout the ZR accelerator and good agreement is found, especially for times before and up to peak load power. This modeling effort represents new opportunities for modeling existing and future large-scale pulsed power systems used in a variety of high energy density physics and radiographic applications. C1 [Rose, D. V.; Welch, D. R.; Madrid, E. A.; Miller, C. L.; Clark, R. E.] Voss Sci LLC, Albuquerque, NM USA. [Stygar, W. A.; Struve, K.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Corcoran, P. A.; Whitney, B.] L 3 Commun, San Leandro, CA 94577 USA. RP Rose, DV (reprint author), Voss Sci LLC, Albuquerque, NM USA. FU Sandia National Laboratories; United States Department of Enegy's National Nuclear Security Administration [DE-AC04-94-AL85000] FX This work was supported by Sandia National Laboratories. Sandia is multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company,for the United States Department of Enegy's National Nuclear Security Administration under contract DE-AC04-94-AL85000. NR 9 TC 3 Z9 3 U1 0 U2 1 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0620-9 J9 AIP CONF PROC PY 2009 VL 1088 BP 263 EP + PG 2 WC Physics, Fluids & Plasmas SC Physics GA BJE50 UT WOS:000265177700059 ER PT B AU Crawford, AL AF Crawford, Anthony L. GP ASME TI IMPLEMENTING A NEURAL NETWORK SYSTEM TO SOLVE THE INVERSE KINEMATICS OF A BIOLOGICALLY INSPIRED ROBOTIC CAT LEG SO DETC 2008: PROCEEDINGS OF THE ASME INTERNATIONAL DESIGN ENGINEERING TECHNICAL CONFERENCES AND COMPUTERS AND INFORMATIONAL IN ENGINEERING CONFERENCE, VOL 3, PTS A AND B: 28TH COMPUTERS AND INFORMATION IN ENGINEERING CONFERENCE LA English DT Proceedings Paper CT ASME International Design Engineering Technical Conferences/Computers and Information in Engineering Conference CY AUG 03-06, 2008 CL New York, NY SP ASME, Design Engn Div, ASME, Comp & Informat Engn Div DE Inverse kinematics; neural network; legged locomotion; serial linkage AB A neural network capable of solving the inverse kinematics of a four degree of freedom biologically inspired robotic cat leg (qualified as a serial linkage system) within its effective 3-D workspace is presented in this paper. The workspace consists of layers of similar but highly nonlinear cells whose vertices are associated with known kinematic variables provided by the robotic leg. The proposed neural network uses geometric properties coupled with the desired end effecter location as the neural network inputs to locate the cell for which encapsulates the associated location. Another neuron layer utilizing activation functions trained with the Perceptron Fixed learning rule is applied to interpolate within the identified cell. The similarity associated between all of the cells allows the trained neural network to effectively be applied in solving the inverse kinematics of the entire workspace. C1 Univ Idaho, Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Crawford, AL (reprint author), Univ Idaho, Idaho Natl Lab, 2525 N Fremont Ave,POB 1625, Idaho Falls, ID 83415 USA. NR 10 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4327-7 PY 2009 BP 1107 EP 1114 PG 8 WC Computer Science, Information Systems; Computer Science, Software Engineering; Computer Science, Theory & Methods; Engineering, Mechanical SC Computer Science; Engineering GA BIZ27 UT WOS:000263939600113 ER PT B AU Crawford, AL Edwards, DB AF Crawford, Anthony L. Edwards, Dean B. GP ASME TI IMPLEMENTING FUZZY LOGIC IN THE CONTROL OF A BIOLOGICALLY INSPIRED ROBOTIC CAT LEG SO DETC 2008: PROCEEDINGS OF THE ASME INTERNATIONAL DESIGN ENGINEERING TECHNICAL CONFERENCES AND COMPUTERS AND INFORMATIONAL IN ENGINEERING CONFERENCE, VOL 3, PTS A AND B: 28TH COMPUTERS AND INFORMATION IN ENGINEERING CONFERENCE LA English DT Proceedings Paper CT ASME International Design Engineering Technical Conferences/Computers and Information in Engineering Conference CY AUG 03-06, 2008 CL New York, NY SP ASME, Design Engn Div, ASME, Comp & Informat Engn Div DE Fuzzy Logic; Legged Locomotion; Performance Index AB This research discusses the implementation of a fuzzy logic control system to drive the movement of a simplified cat leg model. The system's movement in this paper addresses a planar motion where the model experiences a fixed horizontal velocity and a harmonic vertical displacement. The fuzzy logic (FL) controller applies membership functions to fuzzify the position and velocity errors and applies height defuzzification to generate the time dependant forcing function for the system's horizontal and vertical governing equations. A PID controller is also applied as a benchmark for this research. Both controllers are optimized using the simplex method for which the FL controller performed just as well as the PID controller with more promise of accounting for the nonlinear influences that were neglected in this simplified cat leg model and requiring actuators with a lower required force range. This research provides the skeletal structure for which an effective total controller can be built on. C1 [Crawford, Anthony L.] Univ Idaho, Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Crawford, AL (reprint author), Univ Idaho, Idaho Natl Lab, 2525 N Fremont Ave,POB 1625, Idaho Falls, ID 83415 USA. NR 17 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4327-7 PY 2009 BP 1153 EP 1161 PG 9 WC Computer Science, Information Systems; Computer Science, Software Engineering; Computer Science, Theory & Methods; Engineering, Mechanical SC Computer Science; Engineering GA BIZ27 UT WOS:000263939600118 ER PT B AU MacDonald, J Turner, CJ Nekimken, H Evans, M Moya, J AF MacDonald, John Turner, Cameron J. Nekimken, Howard Evans, Max Moya, Joey GP ASME TI An Introduction to VitalS SO DETC 2008: PROCEEDINGS OF THE ASME INTERNATIONAL DESIGN ENGINEERING TECHNICAL CONFERENCES AND COMPUTERS AND INFORMATIONAL IN ENGINEERING CONFERENCE, VOL 3, PTS A AND B: 28TH COMPUTERS AND INFORMATION IN ENGINEERING CONFERENCE LA English DT Proceedings Paper CT ASME International Design Engineering Technical Conferences/Computers and Information in Engineering Conference CY AUG 03-06, 2008 CL New York, NY SP ASME, Design Engn Div, ASME, Comp & Informat Engn Div AB VitalS is a system or methodology for evaluating the health or state of a variety of systems. Important or critical components of a system are identified and assigned weights based on how critical they are. Data are collected for each of these parameters, and the resulting data are analyzed using the VitalS to produce an indication of the system's health or state. Component problems are readily identified using this technique. Various examples of VitalS are given in this paper. Examples included are medical, automobile, and avionic systems. The discussions includes introduction, utility and application of VitalS. C1 [MacDonald, John; Turner, Cameron J.; Nekimken, Howard; Evans, Max; Moya, Joey] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP MacDonald, J (reprint author), Los Alamos Natl Lab, POB 1663,MS E539, Los Alamos, NM 87545 USA. EM jmac@lanl.gov; cturner@lanl.gov; hnek@lanl.gov; mevans@lanl.gov; jmoya@lanl.gov NR 14 TC 0 Z9 0 U1 0 U2 1 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4327-7 PY 2009 BP 1369 EP 1381 PG 13 WC Computer Science, Information Systems; Computer Science, Software Engineering; Computer Science, Theory & Methods; Engineering, Mechanical SC Computer Science; Engineering GA BIZ27 UT WOS:000263939600141 ER PT B AU Wittwer, JW Baker, MS Epp, DS Mitchell, JA AF Wittwer, Jonathan W. Baker, Michael S. Epp, David S. Mitchell, John A. GP ASME TI MEMS PASSIVE LATCHING MECHANICAL SHOCK SENSOR SO DETC2008: PROCEEDINGS OF THE ASME INTERNATIONAL DESIGN ENGINEERING TECHNICAL CONFERENCE AND COMPUTERS AND INFORMATION IN ENGINEERING CONFERENCE , VOL 4 LA English DT Proceedings Paper CT ASME International Design Engineering Technical Conferences/Computers and Information in Engineering Conference CY AUG 03-06, 2008 CL New York, NY SP ASME, Design Engn Div, ASME, Comp & Informat Engn Div ID THRESHOLD; ACCELEROMETER; SWITCHES; DESIGN; STATE AB This paper presents a novel micro-scale passive-latching mechanical shock sensor with reset capability. The device integrates a compliant bistable mechanism, designed to have a high contact force and low actuation force, with metal-to-metal electrical contacts that provide a means for interrogating the switch state. No electrical power is required during storage or sensing. Electrical power is only required to initialize, reset, self-test, or interrogate the device, allowing the mechanism to be used in low-power and long shelf-life applications. The sensor has a footprint of about 1 mm(2), allowing multiple devices to be integrated on a single chip for arrays of acceleration thresholds, redundancy, and/or Multiple sense directions. Modeling and experimental results for a few devices with different thresholds in the 100g to 400g range are given. Centrifuge test results show that the accelerations required to toggle the switches are higher than current model predictions. Resonant frequency measurements suggest that the springs may be stiffer than predicted. Hammer-strike tests demonstrate the feasibility of using the devices as sensors for actual mechanical shock events. C1 [Wittwer, Jonathan W.; Baker, Michael S.; Epp, David S.; Mitchell, John A.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Wittwer, JW (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM jwwittw@sandia.gov; msbaker@sandia.gov; dsepp@sandia.gov; jamitch@sandia.gov NR 17 TC 0 Z9 0 U1 0 U2 1 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4328-4 PY 2009 BP 581 EP 587 PG 7 WC Engineering, Industrial; Engineering, Mechanical SC Engineering GA BKP53 UT WOS:000268879900061 ER PT S AU Albrow, M AF Albrow, Michael BE Flore, R Ivanov, I Papa, A Soffer, J TI Central Exclusive Production at the Tevatron SO DIFFRACTION 2008 SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Workshop on Diffraction in High Energy Physics CY SEP 09-14, 2008 CL Londe le Maures, FRANCE SP Univ Mediterranee, DESY, Univ Calabria, Ist Nazl Fis Nucl, Temple Univ, INeP3 DE Diffraction; Two-photon; Photoproduction; Double pomeron ID DOUBLE POMERON EXCHANGE; HADRON COLLIDERS; HIGGS; LHC AB In CDF we have observed several exclusive processes: gamma gamma -> e(+)e(-) and mu(+)mu(-), gamma + IP -> J/psi, psi(2S) and IP + IP -> chi(c). The cross sections agree with QED, HERA photoproduction data, and theoretical estimates of gg -> chi(c) with another gluon exchanged to screen the color. This observation of exclusive chi(c), together with earlier observations of exclusive dijets and exclusive gamma gamma candidates, support some theoretical predictions for p + p -> + SMH + p at the LHC. Exclusive dileptons offer the best means of precisely calibrating forward proton spectrometers. C1 [Albrow, Michael] Fermilab Natl Accelerator Lab, POB 500,Wilson Rd, Batavia, IL 60510 USA. RP Albrow, M (reprint author), Fermilab Natl Accelerator Lab, POB 500,Wilson Rd, Batavia, IL 60510 USA. EM albrow@fnal.gov NR 19 TC 1 Z9 1 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0641-4 J9 AIP CONF PROC PY 2009 VL 1105 BP 3 EP + PG 2 WC Physics, Nuclear SC Physics GA BJG28 UT WOS:000265602100001 ER PT S AU Guryn, W AF Guryn, Wlodek CA STAR Collaboration BE Flore, R Ivanov, I Papa, A Soffer, J TI Physics with Tagged Forward Protons and the STAR Detector at RHIC SO DIFFRACTION 2008 SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Workshop on Diffraction in High Energy Physics CY SEP 09-14, 2008 CL Londe le Maures, FRANCE SP Univ Mediterranee, DESY, Univ Calabria, Ist Nazl Fis Nucl, Temple Univ, INeP3 DE Elastic scattering; Central Production; Glueballs; Polarization ID DOUBLE-POMERON-EXCHANGE; ELASTIC-SCATTERING; REGION AB We describe a setup which will extend the physics reach of the STAR detector at RHIC to include the measurement of very forward protons. The very forward protons, coming out of polarized proton-proton collisions at RHIC are detected by the Roman Pots, selecting processes in which the protons stay intact and the exchange is dominated by one with the quantum numbers of a color singlet, thus enhancing the probability of measuring reactions where colorless gluonic matter dominates the exchange. The processes include both elastic and inelastic diffraction. The capabilities of the STAR detector to detect Glueballs and Exotics in central production mechanism are described. C1 [Guryn, Wlodek; STAR Collaboration] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Guryn, W (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM guryn@bnl.gov NR 23 TC 0 Z9 0 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0641-4 J9 AIP CONF PROC PY 2009 VL 1105 BP 54 EP 59 PG 6 WC Physics, Nuclear SC Physics GA BJG28 UT WOS:000265602100011 ER PT S AU Makdisi, Y AF Makdisi, Yousef CA PHENIX Collaboration BE Flore, R Ivanov, I Papa, A Soffer, J TI Transverse Spin Experiments with the PHENIX Detector at RHIC SO DIFFRACTION 2008 SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Workshop on Diffraction in High Energy Physics CY SEP 09-14, 2008 CL Londe le Maures, FRANCE SP Univ Mediterranee, DESY, Univ Calabria, Ist Nazl Fis Nucl, Temple Univ, INeP3 DE Transverse spin; proton structure ID FINAL-STATE INTERACTIONS; PARTON DISTRIBUTIONS; GEV-C; ASYMMETRIES; SCATTERING; GAUGE; GEV/C AB The PHENIX experiment took data with transversely polarized proton beams from RUN1 in 2001 through RUN8 in 2008 and measured several transverse single spin asymmetries in various reactions in two kinematic regions; mid rapidity, near X(F) similar to 0 in inclusive neutral pion and charged hadron production at transverse momenta up to 5 GeV/c with results consistent with zero, and the forward rapidity, where large asymmetries were observed in inclusive neutral pion production similar to those previously seen by the STAR and BRAHMS detectors. Also presented are the unique PHENIX results on asymmetries in inclusive open charm and charmonium production along with PHENIX upgrades and future plans. C1 [Makdisi, Yousef; PHENIX Collaboration] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Makdisi, Y (reprint author), Brookhaven Natl Lab, Bldg 911B, Upton, NY 11973 USA. EM makdisi@bnl.gov NR 19 TC 1 Z9 1 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0641-4 J9 AIP CONF PROC PY 2009 VL 1105 BP 73 EP 77 PG 5 WC Physics, Nuclear SC Physics GA BJG28 UT WOS:000265602100015 ER PT S AU Togawa, M AF Togawa, Manabu CA PHENIX Collaboration BE Flore, R Ivanov, I Papa, A Soffer, J TI Measurements of leading neutron production in polarized pp collisions at RHIC-PHENIX SO DIFFRACTION 2008 SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Workshop on Diffraction in High Energy Physics CY SEP 09-14, 2008 CL Londe le Maures, FRANCE SP Univ Mediterranee, DESY, Univ Calabria, Ist Nazl Fis Nucl, Temple Univ, INeP3 DE Proton spin; Single transverse spin asymmetry; Regge theory; Pion exchange model ID PROTON; FRAGMENTATION; SPECTRA; HERA; ISR AB In 2001-2002, we performed an experiment to search for non-zero single transverse spin asymmetry in very forward angle, 0-2.8 mrad. with first polarized pp collision in root s = 200 GeV at RHIC. and an unexpected large asymmetry for leading neutron production was discovered. For further investigation, we have measured the cross section with the PHENIX detector in the similar kinematics region. The observed asymmetries are consistent with the previous results measured in an experiment at the 12 o'clock interaction point at RHIC. The measured cross section are consistent with the Feynman-x scaling claimed by the ISR experiments which measured leading neutrons in pp collisions at root s = 30.6-62.7 GeV. These cross sections in large Feynman-x. as well as those in ep collisions at HERA experiments, are well described by a pion exchange model. Therefore, the observed large asymmetry for leading neutrons is considered to come from an interference between spin-flip amplitude with the pion exchange and non-flip with Reggeon exchanges. C1 [Togawa, Manabu; PHENIX Collaboration] Brookhaven Natl Lab, RIKEN, Res Ctr, Upton, NY 11973 USA. RP Togawa, M (reprint author), Brookhaven Natl Lab, RIKEN, Res Ctr, Bldg 510, Upton, NY 11973 USA. EM mtogawa@riken.jp NR 13 TC 0 Z9 0 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0641-4 J9 AIP CONF PROC PY 2009 VL 1105 BP 162 EP 166 PG 5 WC Physics, Nuclear SC Physics GA BJG28 UT WOS:000265602100034 ER PT S AU Kahana, DE Kahana, SH AF Kahana, David E. Kahana, Sidney H. BE Flore, R Ivanov, I Papa, A Soffer, J TI Is the QCD Plasma Observable at RHIC with Purely Hadronic Signals? SO DIFFRACTION 2008 SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Workshop on Diffraction in High Energy Physics CY SEP 09-14, 2008 CL Londe le Maures, FRANCE SP Univ Mediterranee, DESY, Univ Calabria, Ist Nazl Fis Nucl, Temple Univ, INeP3 DE RHIC; flow; jet suppression ID ELLIPTIC FLOW; COLLISIONS; TRANSPORT AB A consistent picture of the Au+Au and D+Au, root s = 200 A GeV measurements at RHIC obtained with the PHENIX, STAR, PHOBOS and BRAHMS detectors was previously developed with the simulation LUCIFER. The approach was modeled on the early production of a fluid of prehadrons after the completion of an initial phase of high energy interactions. A successful description of both measured "jet" suppression and elliptical flow is obtained with a key element being the early production of pre-mesons which are relatively strongly interacting. The synthesis of these two signals in a common description puts in doubt the likelihood of direct hadronic observation of the colored phase which, for appreciably hard partons, lasts only a short interval similar to 1(p), while the time for pre-mesons to hadronise t(f) is in general considerably longer. C1 [Kahana, David E.; Kahana, Sidney H.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Kahana, DE (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. EM kahana@bnl.gov OI Kahana, David Ewan/0000-0003-1266-9089; Kahana, Sidney/0000-0002-5790-9384 NR 16 TC 0 Z9 0 U1 0 U2 1 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0641-4 J9 AIP CONF PROC PY 2009 VL 1105 BP 231 EP 235 PG 5 WC Physics, Nuclear SC Physics GA BJG28 UT WOS:000265602100049 ER PT S AU Perez, E Keiser, DD Sohn, YH AF Perez, E. Keiser, D. D. Sohn, Y. H. BE Aguero, A Albella, JM Hierro, MP Phillibert, J Trujillo, FJP TI Selected Observations in Phase Constituents, Growth Kinetics and Microstructural Development of Aluminides in U-Mo vs. Al and 6061 Diffusion Couples Annealed at 600 degrees C SO DIFFUSION IN MATERIALS - DIMAT2008 SE Defect and Diffusion Forum LA English DT Proceedings Paper CT 7th International Conference on Diffusion in Materials CY 2008 CL Univ Complutende Madrid, Surface Engn Res Grp, Lanzarote, SPAIN HO Univ Complutende Madrid, Surface Engn Res Grp DE metallic nuclear fuels; growth kinetics; uranium alloys; U-Mo alloys; U-Mo-Al ID DISPERSION FUEL; IRRADIATION BEHAVIOR; LOW-TEMPERATURE; REACTION LAYER; URANIUM; ALLOY; INTERDIFFUSION; HEAT AB This paper presents selected experimental observations of phase constituents, growth kinetics, and microstructural development of aluminide phases that develop in solid-to-solid diffusion couples assembled with U-7wt.%Mo, U-10wt.%Mo and U-12wt.%Mo vs. Al and 6061 alloy after a diffusion anneal at 600 degrees C for 24 hours. Scanning electron microscopy coupled with energy dispersive spectroscopy, electron microprobe analysis, and transmission electron microscopy via focused ion beam in-situ lift-out were employed to characterize the interaction layer that develops by interdiffusion. While concentration profiles exhibited no significant gradients, microstructural analysis revealed the presence of extremely complex and nano-scale phase constituents with presence of orthorhombic-alpha-U, cubic-UAl3, orthorhombic-UAl4, hexagonal-U6Mo4Al43 and diamond cubic-UMo2Al20 phases. Presence of multi-phase layers with microstructure, which suggest a significant role of grain boundary diffusion, was observed. C1 [Perez, E.; Sohn, Y. H.] Univ Cent Florida, Adv Mat Proc & Anal Ctr, 4000 Cent Florida Blvd, Orlando, FL 32816 USA. [Keiser, D. D.] Idaho Natl Lab, Nucl Fuels & Mat Div, Idaho Falls, ID 83415 USA. RP Perez, E (reprint author), Univ Cent Florida, Adv Mat Proc & Anal Ctr, 4000 Cent Florida Blvd, Orlando, FL 32816 USA. EM em168604@pegasus.cc.ucf.edu; dennis.keiser@inl.gov; ysohn@mail.ucf.edu FU U.S. Department of Energy [DE-AC07-05ID14517, 00051953] FX This work was performed with financial support from U.S. Department of Energy (DE-AC07-05ID14517) through subcontract No. 00051953 administered by Battelle Energy Alliance, LLC and Idaho National Laboratory. NR 22 TC 5 Z9 5 U1 0 U2 1 PU TRANS TECH PUBLICATIONS LTD PI DURNTEN-ZURICH PA KREUZSTRASSE 10, 8635 DURNTEN-ZURICH, SWITZERLAND SN 1012-0386 J9 DEFECT DIFFUS FORUM PY 2009 VL 289-292 BP 41 EP + PG 2 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA BLR83 UT WOS:000270899300003 ER PT S AU Mendelev, MI Rodin, AO Bokstein, BS AF Mendelev, M. I. Rodin, A. O. Bokstein, B. S. BE Aguero, A Albella, JM Hierro, MP Phillibert, J Trujillo, FJP TI Computer Simulation of Diffusion in Dilute Al-Fe Alloys SO DIFFUSION IN MATERIALS - DIMAT2008 SE Defect and Diffusion Forum LA English DT Proceedings Paper CT 7th International Conference on Diffusion in Materials CY 2008 CL Univ Complutende Madrid, Surface Engn Res Grp, Lanzarote, SPAIN HO Univ Complutende Madrid, Surface Engn Res Grp DE Diffusion; Computer simulation; Molecular dynamics; Aluminum; Iron ID ALUMINUM; MIGRATION AB We present results of the molecular dynamics study of Al selfdiffusion, Al and Fe diffusion in Al-Fe dilute alloys. We found that addition of Fe does not change the vacancy formation energy but considerably slows down Al diffusion. We also found that Al and Fe migration energies, i.e. energies of vacancy exchange with Al and Fe atoms, differ very strongly. Both activation energies for Al and Fe diffusion are in satisfactory agreement with available experimental data. C1 [Mendelev, M. I.] Ames Lab, Ames, IA 50014 USA. [Rodin, A. O.; Bokstein, B. S.] Moscow Steel & Alloys Inst, Moscow, Russia. RP Mendelev, MI (reprint author), Ames Lab, Ames, IA 50014 USA. EM mendelev@ameslab.gov; rodin@misis.ru; bokst@misis.ru RI Rodine, Alexey/H-1381-2011 OI Rodine, Alexey/0000-0003-1209-7594 FU Department of Energy, Office of Basic Energy Sciences [DE-AC02-07CH11358]; MISA; Ministry of Education and Science [RNP 2.1.1. 8191, RFBR - 08-03-00498-a] FX Work at the Ames Laboratory was supported by the Department of Energy, Office of Basic Energy Sciences, under Contract No. DE-AC02-07CH11358. Work in MISA was supported by Ministry of Education and Science, contract RNP 2.1.1. 8191 and project RFBR - 08-03-00498-a. NR 19 TC 1 Z9 1 U1 1 U2 4 PU TRANS TECH PUBLICATIONS LTD PI DURNTEN-ZURICH PA KREUZSTRASSE 10, 8635 DURNTEN-ZURICH, SWITZERLAND SN 1012-0386 J9 DEFECT DIFFUS FORUM PY 2009 VL 289-292 BP 733 EP + PG 2 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA BLR83 UT WOS:000270899300088 ER PT S AU Diaz, LMF Zhu, J Holcomb, GR Jablonski, PD Alman, DE Sridhar, S AF Diaz, L. M. Fernandez Zhu, J. Holcomb, G. R. Jablonski, P. D. Alman, D. E. Sridhar, S. BE Ochsner, A Murch, GE Shokuhfar, A TI Fundamental Studies on the Transient Stages of Scale Growth in Fe-22 wt.% Cr Alloys SO DIFFUSION IN SOLIDS AND LIQUIDS IV SE Defect and Diffusion Forum LA English DT Proceedings Paper CT 4th International Conference on Diffusion in Solids and Liquids CY JUL 09-11, 2008 CL Barcelona, SPAIN DE Reactive elements; Cr2O3 scale growing; high temperature oxidation; Fe based alloys ID OXIDATION AB It is known that additions of reactive elements such as Ce, La or Y improve the properties of protective oxide-scales on Ni and Fe based alloys [1-3] by increasing oxide adhesion, decreasing the transient time until a continuous Cr2O3 layer is formed and decreasing the parabolic rate constant. Nevertheless, the precise roles played by these reactive elements to improve scales and the precise mechanisms by which they are incorporated into the scale during the surface treatment processes are unknown. Although they are believed to be associated with transport properties in the scale, it is not clear how this occurs or why it improves oxidation resistance. This project is aimed to gain understanding of the scale evolution in Fe-22 wt.% Cr alloys at 800 degrees C in dry air during the transient stage after 15 minutes of oxidation. The effect of La (120 and 290 ppm) and Ce (270 and 610 ppm) additions added during melt-stage processing are investigated. The surface oxidation process was imaged in-situ through a Confocal Scanning Laser Microscope (CSLM) and the results were correlated with post-experiment characterization through FEG-SEM and FIB-SEM combined with 3D reconstruction. The roles of rare-earth oxide particles on nucleation of Cr2O3 and blockage of short-circuit diffusion paths in the oxide scale and underlying metal are discussed. C1 [Diaz, L. M. Fernandez; Zhu, J.; Sridhar, S.] Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. [Diaz, L. M. Fernandez; Zhu, J.; Sridhar, S.] Carnegie Mellon Univ, Dept Mat Sci & Engn, Pittsburgh, PA 15213 USA. [Holcomb, G. R.; Jablonski, P. D.; Alman, D. E.] Natl Energy Technol Lab, Albany, OR 97321 USA. RP Diaz, LMF (reprint author), Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. EM lauramfd@andrew.cmu.edu; jingxiz@andrew.cmu.edu; Gordon.Holcomb@netl.doe.gov; Paul.Jablonski@netl.doe.gov; David.Alman@netl.doe.gov; sridhars@andrew.cmu.edu RI Holcomb, Gordon/G-9070-2013; OI Holcomb, Gordon/0000-0003-3542-5319; Zhu, Jingxi/0000-0002-0019-0647 FU [DE-AC26-04NT41817] FX This work was carried out under the contract DE-AC26-04NT41817. NR 8 TC 3 Z9 3 U1 0 U2 4 PU TRANS TECH PUBLICATIONS LTD PI DURNTEN-ZURICH PA KREUZSTRASSE 10, 8635 DURNTEN-ZURICH, SWITZERLAND SN 1012-0386 J9 DEFECT DIFFUS FORUM PY 2009 VL 283-286 BP 425 EP + PG 2 WC Engineering, Mechanical; Materials Science, Multidisciplinary; Mechanics; Metallurgy & Metallurgical Engineering; Physics, Condensed Matter SC Engineering; Materials Science; Mechanics; Metallurgy & Metallurgical Engineering; Physics GA BJG09 UT WOS:000265589600068 ER PT S AU Saoulidou, N AF Saoulidou, Niki BE Bernabeu, J TI Neutrino Experiments SO DISCRETE 08: SYMPOSIUM ON PROSPECTS IN THE PHYSICS OF DISCRETE SYMMETRIES SE Journal of Physics Conference Series LA English DT Proceedings Paper CT Symposium on Prospects in the Physics of Discrete Symmetries (DISCRETE 08) CY DEC 11-16, 2008 CL Valencia, SPAIN ID SOLAR NEUTRINOS; DECAY; KAMIOKA; SEARCH AB We will start with a brief overview of neutrino oscillation physics with emphasis on the remaining open questions. Next we will review the current status and prospects of experiments probing the "solar" and "atmospheric" neutrino mixing parameters. Finally, we will describe the status and prospects of near and longer-term neutrino oscillation experiments aiming to study the "cross" neutrino mixing parameters which, to date, are almost entirely unknown. C1 Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Saoulidou, N (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM niki@fnal.gov NR 40 TC 0 Z9 0 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2009 VL 171 AR 012015 DI 10.1088/1742-6596/171/1/012015 PG 16 WC Physics, Particles & Fields SC Physics GA BPJ17 UT WOS:000278961500016 ER PT S AU Wejdemann, C Poulsen, HF Lienert, U Pantleon, W AF Wejdemann, C. Poulsen, H. F. Lienert, U. Pantleon, W. BE Cai, W Edagawa, K Ngan, AHW TI The effect of strain path change on subgrain volume fraction determined from in situ X-ray measurements SO DISLOCATIONS 2008 SE IOP Conference Series-Materials Science and Engineering LA English DT Proceedings Paper CT International Conference on the Fundamentals of Plastic Deformation (DISLOCATIONS) CY OCT 13-17, 2008 CL Hong Kong, PEOPLES R CHINA ID COPPER SINGLE-CRYSTALS; DISLOCATION ARRANGEMENT; DEFORMATION STRUCTURES; TENSION; MICROSTRUCTURE; ORIENTATION; DENSITIES AB The evolution of dislocation structures in individual bulk grains in copper during strain path changes is studied with a new in situ synchrotron technique which combines high angular resolution with fast three-dimensional reciprocal space mapping. Deformed copper contains regions with vanishing dislocation density called subgrains bounded by dislocation rich walls. With the new technique reciprocal space maps, consisting of sharp peaks arising from the subgrains superimposed on a cloud of lower intensity arising from the dislocation walls, are obtained, which allows properties such as subgrain volume fraction to be quantified. The studied strain path changes are tension-tension sequences. Polycrystalline copper sheets are pre-deformed in tension to 5% strain, and tensile samples are cut with varying angles between the first and second loading axis. The second tensile deformation up to additional 5% strain is performed in situ while mapping a selected X-ray reflection from one particular bulk grain with high angular resolution. The reciprocal space maps are analyzed with a recently developed fitting method, and a correlation is found between the evolution of the subgrain volume fraction and the degree of strain path change the sample is subjected to. C1 [Wejdemann, C.; Poulsen, H. F.; Pantleon, W.] Tech Univ Denmark, Risoe Natl Lab Sustainable Energy, Ctr Fundamental Res Met Struct Dimens 4, Mat Res Div, Frederiksborgvej 399, DK-4000 Roskilde, Denmark. [Lienert, U.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Wejdemann, C (reprint author), Tech Univ Denmark, Risoe Natl Lab Sustainable Energy, Ctr Fundamental Res Met Struct Dimens 4, Mat Res Div, Frederiksborgvej 399, DK-4000 Roskilde, Denmark. EM christian.wejdemann@risoe.dk; henning.friis.poulsen@risoe.dk; lienert@aps.anl.gov; wolfgang.pantleon@risoe.dk RI Pantleon, Wolfgang/L-9657-2014 OI Pantleon, Wolfgang/0000-0001-6418-6260 FU Danish National Research Foundation; Danish Natural Science Research Council; U.S. Department of Energy,Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX The authors wish to thank H B Nielsen for support in developing the partitioning algorithm, MP Miller for help during the experiments, and L Lorentzen and P Olesen for sample preparation and characterization. This work was supported by the Danish National Research Foundation and the Danish Natural Science Research Council. Use of the Advanced Photon Source was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. NR 15 TC 4 Z9 4 U1 0 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1757-8981 J9 IOP CONF SER-MAT SCI PY 2009 VL 3 AR 012003 DI 10.1088/1757-899X/3/1/012003 PG 6 WC Materials Science, Multidisciplinary SC Materials Science GA BCB92 UT WOS:000309682300003 ER PT S AU Bacon, DJ Osetsky, YN Rodney, D AF Bacon, D. J. Osetsky, Y. N. Rodney, D. BE Hirth, JP Kubin, L TI Dislocation-Obstacle Interactions at the Atomic Level SO DISLOCATIONS IN SOLIDS, VOL 15 SE Dislocations in Solids LA English DT Article; Book Chapter ID STACKING-FAULT TETRAHEDRON; MOLECULAR-DYNAMICS SIMULATIONS; CENTERED-CUBIC METALS; SELF-INTERSTITIAL CLUSTERS; NEUTRON-IRRADIATED IRON; PRESSURE-VESSEL STEELS; 111 SCREW DISLOCATION; CLEAR BAND FORMATION; POINT-OF-VIEW; FE-CR ALLOYS C1 [Bacon, D. J.] Univ Liverpool, Dept Engn, Liverpool L69 3GH, Merseyside, England. [Osetsky, Y. N.] ORNL, Oak Ridge, TN 37831 USA. [Rodney, D.] UJF, CNRS, INP Grenoble, INP Grenoble, F-38402 St Martin Dheres, France. RP Bacon, DJ (reprint author), Univ Liverpool, Dept Engn, Brownlow Hill, Liverpool L69 3GH, Merseyside, England. NR 206 TC 54 Z9 54 U1 0 U2 7 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1572-4859 BN 978-0-08-093295-8; 978-0-44-453285-5 J9 DISCLOC SOLIDS PY 2009 VL 15 BP 1 EP 90 DI 10.1016/S1572-4859(09)01501-0 PG 90 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA BCP54 UT WOS:000310967300002 ER PT S AU Meyers, MA Jarmakani, H Bringa, EM Remington, BA AF Meyers, M. A. Jarmakani, H. Bringa, E. M. Remington, B. A. BE Hirth, JP Kubin, L TI Dislocations in Shock Compression and Release SO DISLOCATIONS IN SOLIDS, VOL 15 SE Dislocations in Solids LA English DT Article; Book Chapter ID MOLECULAR-DYNAMICS SIMULATIONS; STACKING-FAULT ENERGIES; COPPER-ALUMINUM ALLOYS; SINGLE-CRYSTAL NICKEL; X-RAY-DIFFRACTION; HIGH-STRAIN RATES; GRAIN-SIZE; PLASTIC-DEFORMATION; PERFECT CRYSTALS; STAINLESS-STEEL C1 [Meyers, M. A.; Jarmakani, H.] Univ Calif San Diego, Dept Mech & Aerosp Engn, Mat Sci & Engn Program, La Jolla, CA 92093 USA. [Meyers, M. A.; Jarmakani, H.] Univ Calif San Diego, Dept Nanoengn, La Jolla, CA 92093 USA. [Bringa, E. M.; Remington, B. A.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Meyers, MA (reprint author), Univ Calif San Diego, Dept Mech & Aerosp Engn, Mat Sci & Engn Program, La Jolla, CA 92093 USA. RI Meyers, Marc/A-2970-2016 OI Meyers, Marc/0000-0003-1698-5396 NR 217 TC 28 Z9 28 U1 0 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1572-4859 BN 978-0-08-093295-8; 978-0-44-453285-5 J9 DISCLOC SOLIDS PY 2009 VL 15 BP 91 EP 197 DI 10.1016/S1572-4859(09)01502-2 PG 107 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA BCP54 UT WOS:000310967300003 ER PT S AU Tuminaro, RS Xu, JC Zhu, YR AF Tuminaro, Ray S. Xu, Jinchao Zhu, Yunrong BE Bercovier, M Gander, MJ Kornhuber, R Widlund, O TI Auxiliary Space Preconditioners for Mixed Finite Element Methods SO DOMAIN DECOMPOSITION METHODS IN SCIENCE AND ENGINEERING XVIII SE Lecture Notes in Computational Science and Engineering LA English DT Proceedings Paper CT 18th International Conference on Domain Decomposition Methods CY JAN 12-17, 2008 CL Hebrew Univ, Sch Comp Sci & Engn (CSE), Jerusalem, ISRAEL HO Hebrew Univ, Sch Comp Sci & Engn (CSE) ID ELLIPTIC PROBLEMS; ITERATIVE METHODS; H(DIV) AB This paper is devoted to study of an auxiliary spaces preconditioner for H(div) systems and its application in the mixed formulation of second order elliptic equations. Extensive numerical results show the efficiency and robustness of the algorithms, even in the presence of large coefficient variations. For the mixed formulation of elliptic equations, we use the augmented Lagrange technique to convert the solution of the saddle point problem into the solution of a nearly singular H(div) system. Numerical experiments also justify the robustness and efficiency of this scheme. C1 [Tuminaro, Ray S.] Sandia Natl Labs, MS 9214, Livermore, CA 94551 USA. [Xu, Jinchao] Penn State Univ, Dept Math, University Pk, PA 16802 USA. [Zhu, Yunrong] Univ Calif San Diego, Dept Math, La Jolla, CA 92093 USA. RP Tuminaro, RS (reprint author), Sandia Natl Labs, MS 9214, Livermore, CA 94551 USA. EM rstumin@sandia.gov; xu@math.psu.edu; zhu@math.ucsd.edu OI Zhu, Yunrong/0000-0002-4706-8382 FU DOE Office of Science ASCR Applied Math Research program; ASC program at Sandia Laboratories; Sandia Corporation; Lockheed Martin Company; Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; NSF [DMS-0609727, NSFC-10528102, 0715146, 0411723]; Alexander von Humboldt Research Award for Senior US Scientists; Sandia National Lab FX The first author was supported in part by the DOE Office of Science ASCR Applied Math Research program and by the ASC program at Sandia Laboratories. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energys National Nuclear Security Administration under contract DE-AC04-94AL85000. The second author was supported in part by NSF DMS-0609727, NSFC-10528102 and Alexander von Humboldt Research Award for Senior US Scientists.The third author would like to thank Sandia National Lab for the support in summer 2007, and especially thank Bochev Pavel and Chris Siefert for inspiring discussions. He would also like to thank his postdoctoral advisor Professor Michael Holst for his encouragement and support through NSF Awards 0715146 and 0411723. NR 20 TC 1 Z9 1 U1 0 U2 1 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 1439-7358 BN 978-3-642-02677-5; 978-3-642-02676-8 J9 LECT NOTES COMP SCI PY 2009 VL 70 BP 99 EP 109 PG 11 WC Computer Science, Interdisciplinary Applications; Engineering, Multidisciplinary; Mathematics, Applied SC Computer Science; Engineering; Mathematics GA BYM48 UT WOS:000299345700009 ER PT J AU Yoon, SS Kim, HY Lee, D Kim, N Jepsen, RA James, SC AF Yoon, Sam S. Kim, Ho Y. Lee, Dongjo Kim, Namsoo Jepsen, Richard A. James, Scott C. TI Experimental Splash Studies of Monodisperse Sprays Impacting Variously Shaped Surfaces SO DRYING TECHNOLOGY LA English DT Article DE Diesel spray; Droplet atomization; Splash corona; Viscosity ID COMPUTATIONAL FLUID-DYNAMICS; SOLID-SURFACES; FOOD-INDUSTRY; SMALL TARGETS; DROP IMPACT; WATER SPRAY; DESIGN; MODELS; DRYER; INSTABILITY AB Despite numerous studies of the drop impact phenomena, studies of the fundamental mechanisms of how the splash corona and subsequent necking yield splashed droplets, not to mention characteristics of these splashed droplets, remain a subject of great interest. Here, we consider a simple question: After impact, what are the characteristics of splashed droplets? Spatial variations in the fraction of splashed liquid, Sauter mean diameter, and drop-size distribution for water and diesel impacting onto variously shaped rods are reported. Liquid drops of nearly uniform size are continuously injected onto a 2-mm-diameter aluminum cylindrical rod at velocities of up to 17m/s. The impact face of the rod is flat with angles from =0 to 60 or it has a concave, convex, or conical shape. The experimental results indicate that diesel breaks up more easily than water due to its low surface tension. However, due to increased energy loss through viscous dissipation during drop collapse and spreading, dispersion of diesel drops upon and after impact is less energetic than that of water since diesel droplets do not travel as fast or as far as water droplets. During corona formation, stretching and necking of diesel drops before their snap-off are particularly evident due to diesel's high viscosity. Size distribution of splashed diesel droplets is more uniform than that of water near the impact region and water is more uniform further away. C1 [Yoon, Sam S.; Kim, Ho Y.; Lee, Dongjo; Kim, Namsoo] Korea Univ, Dept Mech, Seoul 136713, South Korea. [Jepsen, Richard A.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [James, Scott C.] Sandia Natl Labs, Livermore, CA USA. RP Yoon, SS (reprint author), Korea Univ, Dept Mech, Anamdong 5-Ga, Seoul 136713, South Korea. EM skyoon@korea.ac.kr OI James, Scott/0000-0001-7955-0491 FU Korea government (MEST) [R11-2007-028-03001] FX This work was supported by the Korea Science and Engineering Foundation (KOSEF) grant funded by the Korea government (MEST), No. R11-2007-028-03001. NR 39 TC 4 Z9 4 U1 2 U2 7 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 0737-3937 J9 DRY TECHNOL JI Dry. Technol. PY 2009 VL 27 IS 2 BP 258 EP 266 AR PII 908516988 DI 10.1080/07373930802606188 PG 9 WC Engineering, Chemical; Engineering, Mechanical SC Engineering GA 405CR UT WOS:000263200400011 ER PT J AU Yoon, SS Jepsen, RA James, SC Liu, J Aguilar, G AF Yoon, Sam S. Jepsen, Richard A. James, Scott C. Liu, Jie Aguilar, Guillermo TI Are Drop-Impact Phenomena Described by Rayleigh-Taylor or Kelvin-Helmholtz Theory? SO DRYING TECHNOLOGY LA English DT Article DE Drop impact; Finger instability; Kelvin-Helmholtz; Rayleigh-Taylor; Splash ID FOOD-INDUSTRY; SPRAY DRYER; DYNAMICS; DESIGN; JETS; MODELS; FLUID; CFD AB Drop impact, spreading, fingering, and snap-off are important inmany engineering applications such as spray drying, industrial painting, environmentally friendly combustion, inkjet printing, materials processing, fire suppression, and pharmaceutical coating. Controlling drop-impact instability is crucial to designing optimized systems for the aforementioned applications. Classical Rayleigh-Taylor (RT) theory has been widely used to analyze fingering where instabilities at the leading edge of the toroidal ring form fingers that may ultimately snap off to form small droplets. In this study, we demonstrate the inapplicability of RT theory, in particular because it fails to explain the stable regimes observed under conditions of low air density and the instabilities observed when a drop impacts a pool of equal-density fluid. Specifically, finger instability decreases with decreasing air density, whereas the RT theory suggests that instability should remain unchanged. Moreover, experiments show that fingers form upon impact of a dyed water drop with a water pool, whereas the RT theory predicts noinstability when the densities of the two interacting fluids are equal. Experimental evidence is instead consistent with instability predictions made using the shear-driven Kelvin-Helmholtz theory. C1 [Yoon, Sam S.] Korea Univ, Dept Mech Engn, Seoul 136713, South Korea. [Jepsen, Richard A.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [James, Scott C.] Sandia Natl Labs, Livermore, CA USA. [Liu, Jie; Aguilar, Guillermo] Univ Calif Riverside, Dept Mech Engn, Riverside, CA 92521 USA. RP Yoon, SS (reprint author), Korea Univ, Dept Mech Engn, 5 Ga, Seoul 136713, South Korea. EM skyoon@korea.ac.kr OI James, Scott/0000-0001-7955-0491 FU Korea government (MEST) [R11-2007-028-03001] FX This work was supported by the Korea Science and Engineering Foundation (KOSEF) grant funded by the Korea government (MEST), No. R11-2007-028-03001. NR 34 TC 4 Z9 4 U1 0 U2 7 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 0737-3937 J9 DRY TECHNOL JI Dry. Technol. PY 2009 VL 27 IS 3 BP 316 EP 321 AR PII 909031789 DI 10.1080/07373930802682858 PG 6 WC Engineering, Chemical; Engineering, Mechanical SC Engineering GA 412DH UT WOS:000263703200002 ER PT B AU Garcia, EJ Polosky, MA Swiler, TP Shul, RJ Luck, DL AF Garcia, Ernest J. Polosky, Marc A. Swiler, Thomas P. Shul, Randy J. Luck, David L. BE Bourouina, T Courtois, B Ghodssi, R Soma, A Yang, H Karam, JM TI Design and Development of a Latching Micro Optical Switch SO DTIP 2009: SYMPOSIUM ON DESIGN, TEST, INTEGRATION AND PACKAGING OF MEMS/MOEMS LA English DT Proceedings Paper CT Symposium on Design, Test, Integration and Packaging of MEMS/MOEMS CY APR 01-03, 2009 CL Rome, ITALY SP IEEE Components, Packaging & Mfg Technol Soc, CPMT, CNRS INPG UIF, IEEE AB We will review the initial design and development of a first-of-its-kind latching micro optical switch that can be switched from one optical state to another utilizing thermal actuation. The device is designed to remain in one position or the other without the requirement for continuous external power to keep the switch in either state. The switch uses Deep Reactive [on Etching to form the necessary structures required to move optical fibers from one position to another. The switch is designed to align a movable optical fiber with a fixed optical fiber to perform an optical switching function. Only momentary pulses of power are required to move the optical fiber from one position to another. The device uses a latching mechanism fabricated in silicon-on-insulator material (SOI) to hold the optical fiber in either of its two desired states (aligned or out-of-alignment). We are in the process of developing this switch to meet stringent environmental requirements such as shock, vibration and temperature excursions for a number of applications. While this device is not a high speed switch, it is being developed to provide capability for extreme environment use such as that encountered in space or in airborne applications. Our initial results have been excellent; we have successfully designed, fabricated and tested a functioning latching micro optical switch that holds great promise for extreme environment applications. C1 [Garcia, Ernest J.; Polosky, Marc A.; Swiler, Thomas P.; Shul, Randy J.; Luck, David L.] Sandia Natl Labs, Electromech Engn Dept, Albuquerque, NM 87185 USA. RP Garcia, EJ (reprint author), Sandia Natl Labs, Electromech Engn Dept, POB 5800, Albuquerque, NM 87185 USA. NR 4 TC 1 Z9 1 U1 0 U2 1 PU EDA PUBLISHING PI GRENOBLE PA CMP LABORATORY, 46 AVE FELIX VIALLET, GRENOBLE, 38031, FRANCE BN 978-2-35500-009-6 PY 2009 BP 353 EP 358 PG 6 WC Engineering, Manufacturing; Engineering, Electrical & Electronic; Engineering, Mechanical SC Engineering GA BJK51 UT WOS:000266690700074 ER PT B AU Remington, BA Park, HS Prisbrey, ST Pollaine, SM Cavallo, RM Rudd, RE Lorenz, KT Becker, RC Bernier, JV Barton, NR Arsenlis, A Glendinning, SG Hamza, AV Swift, DW Jankowski, AF AF Remington, B. A. Park, H. -S. Prisbrey, S. T. Pollaine, S. M. Cavallo, R. M. Rudd, R. E. Lorenz, K. T. Becker, R. C. Bernier, J. V. Barton, N. R. Arsenlis, A. Glendinning, S. G. Hamza, A. V. Swift, D. W. Jankowski, A. F. GP EDPS TI Progress towards materials science above 1000 GPa (10 Mbar) on the NIF laser SO DYMAT 2009: 9TH INTERNATIONAL CONFERENCE ON THE MECHANICAL AND PHYSICAL BEHAVIOUR OF MATERIALS UNDER DYNAMIC LOADING, VOL 1 LA English DT Proceedings Paper CT 9th International Conference on Mechanical and Physical Behaviour of Materials under Dynamic Loading CY SEP 07-11, 2009 CL Royal Mil Acad, Brussels, BELGIUM HO Royal Mil Acad AB Solid state dynamics experiments at extreme pressures, P > 1000 GPa (10 Mbar), and ultrahigh strain rates (10(6)-10(8) s(-1)) are being developed for the National Ignition Facility (NIF) laser. These experiments will open up exploration of new regimes of materials science at an order of magnitude higher pressures than have been possible to date. Such extreme, solid state conditions can be accessed with a ramped pressure drive. The experimental, computational, and theoretical techniques are being developed and tested on the Omega laser. Constitutive models for solid state strength under these conditions are tested by comparing simulations with experiments measuring perturbation growth from the Rayleigh-Taylor instability in solid state samples of vanadium. Radiography techniques using synchronized bursts of x-rays have been developed to diagnose this perturbation growth. Velocity interferometer measurements (VISAR) establish the high pressure conditions generated by the ramped drive. Experiments on Omega measuring dynamic material strength at peak pressures of similar to 1 Mbar will be discussed. The time resolved observation of foil cracking and void formation show the need for tamped samples and a planar drive. C1 [Remington, B. A.; Park, H. -S.; Prisbrey, S. T.; Pollaine, S. M.; Cavallo, R. M.; Rudd, R. E.; Lorenz, K. T.; Becker, R. C.; Bernier, J. V.; Barton, N. R.; Arsenlis, A.; Glendinning, S. G.; Hamza, A. V.; Swift, D. W.] Lawrence Livermore Natl Lab, Livermore, CA USA. [Jankowski, A. F.] Texas Tech Univ, Lubbock, TX USA. RP Remington, BA (reprint author), Lawrence Livermore Natl Lab, Livermore, CA USA. RI Becker, Richard/I-1196-2013 FU U.S. Department of Energy by Lawrence Livermore National Laboratory [AC52-07NA27344] FX This Work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 10 TC 0 Z9 0 U1 0 U2 4 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE BN 978-2-7598-0472-6 PY 2009 BP 3 EP + DI 10.1051/dymat/2009001 PG 2 WC Materials Science, Multidisciplinary; Mechanics SC Materials Science; Mechanics GA BMO55 UT WOS:000273127300001 ER PT B AU Zellner, MB Byers, M Dimonte, G Hammerberg, JE Germann, TC Rigg, PA Buttler, WT AF Zellner, M. B. Byers, M. Dimonte, G. Hammerberg, J. E. Germann, T. C. Rigg, P. A. Buttler, W. T. GP EDPS TI Influence of shockwave profile on ejection of micron-scale material from shocked Sn surfaces: An experimental study SO DYMAT 2009: 9TH INTERNATIONAL CONFERENCE ON THE MECHANICAL AND PHYSICAL BEHAVIOUR OF MATERIALS UNDER DYNAMIC LOADING, VOL 1 LA English DT Proceedings Paper CT 9th International Conference on Mechanical and Physical Behaviour of Materials under Dynamic Loading CY SEP 07-11, 2009 CL Royal Mil Acad, Brussels, BELGIUM HO Royal Mil Acad ID INDUCED POLYMORPHIC TRANSITION; TIN AB This effort experimentally investigates the relationship between shock-breakout pressure(a) and the amount of micron-scale fragments ejected (ejecta) upon shock release at the metal/vacuum interface of Sn targets shocked with a supported shockwave. The results are compared with an analogous set derived from HE shocked Sn targets, Taylor shockwave loading. The supported shock-pulse was created by impacting a Sn target with a Ti64(b) impactor that was accelerated using a powder gun. Ejecta production at the free-surface or back-side of the Sn targets were characterized through use of piezoelectric pins and Asay foils, and heterodyne velocimetry verified the time of shock release and the breakout pressure. C1 [Zellner, M. B.; Byers, M.; Dimonte, G.; Hammerberg, J. E.; Germann, T. C.; Rigg, P. A.; Buttler, W. T.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Zellner, MB (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. OI Germann, Timothy/0000-0002-6813-238X NR 23 TC 7 Z9 7 U1 1 U2 15 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE BN 978-2-7598-0472-6 PY 2009 BP 89 EP 94 DI 10.1051/dymat/2009012 PG 6 WC Materials Science, Multidisciplinary; Mechanics SC Materials Science; Mechanics GA BMO55 UT WOS:000273127300012 ER PT B AU Brown, EN Gray, GT Trujillo, CP AF Brown, E. N. Gray, G. T., III Trujillo, C. P. GP EDPS TI Influence of necking propensity on the dynamic-tensile-extrusion response of fluoropolymers SO DYMAT 2009: 9TH INTERNATIONAL CONFERENCE ON THE MECHANICAL AND PHYSICAL BEHAVIOUR OF MATERIALS UNDER DYNAMIC LOADING, VOL 1 LA English DT Proceedings Paper CT 9th International Conference on Mechanical and Physical Behaviour of Materials under Dynamic Loading CY SEP 07-11, 2009 CL Royal Mil Acad, Brussels, BELGIUM HO Royal Mil Acad ID POLYTETRAFLUOROETHYLENE PTFE; STRAIN-RATE; FRACTURE; TEMPERATURE; PHASE AB The quasi-static and dynamic responses of two fluoropolymers - polytetrafluoroethylene (PTFE) and polychlorotrifluoroethylene (PCTFE) - have been extensively characterized. Here we investigate the influence of the propensity to neck or not between PCTFE and PTFE on their responses under Dynamic-Tensile-Extrusion (Dyn-Ten-Ext). The Dyn-Ten-Ext technique was originally developed for metals and applied to copper and tantalum spheres by Gray, et al. as a tensile corollary to compressive Taylor Cylinder Impact Testing. Under Taylor Cylinder loading, both PTFE and PCTFE exhibit a classic three-diameter ductile deformation pattern. The ductile-to-brittle transition in PTFE occurs at 131 m s(-1) with a very tight transition range in impact stress of less than 4 m s(-1). Conversely, the ductile-to-brittle transition in PCTFE occurs between 165 and 200 m s(-1) with a gradual transition to stochastic crack formation and ultimately failure. Under Dyn-Ten-Ext loading the onset of extrusion occurs above 164 and 259 m s(-1) for PTFE and PCTFE respectively. C1 [Brown, E. N.] Los Alamos Natl Lab, ADWP, MS A-110, Los Alamos, NM 87545 USA. [Gray, G. T., III; Trujillo, C. P.] Los Alamos Natl Lab, MST 8, Los Alamos, NM 87545 USA. RP Brown, EN (reprint author), Los Alamos Natl Lab, ADWP, MS A-110, Los Alamos, NM 87545 USA. OI Brown, Eric/0000-0002-6812-7820 FU Los Alamos National Laboratory is operated by LANS, LLC, for the NNSA of the US Department of Energy [DE-AC52-06NA25396] FX Los Alamos National Laboratory is operated by LANS, LLC, for the NNSA of the US Department of Energy under contract DE-AC52-06NA25396. This research was supported under the auspices of the US Department of Energy and the Joint DoD/DOE Munitions Program. NR 21 TC 1 Z9 1 U1 0 U2 2 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE BN 978-2-7598-0472-6 PY 2009 BP 171 EP + DI 10.1051/dymat/2009023 PG 3 WC Materials Science, Multidisciplinary; Mechanics SC Materials Science; Mechanics GA BMO55 UT WOS:000273127300023 ER PT B AU Foster, JT Chen, WW Luk, VK AF Foster, J. T. Chen, W. W. Luk, V. K. GP EDPS TI Dynamic fracture initiation toughness of high strength steel alloys SO DYMAT 2009: 9TH INTERNATIONAL CONFERENCE ON THE MECHANICAL AND PHYSICAL BEHAVIOUR OF MATERIALS UNDER DYNAMIC LOADING, VOL 1 LA English DT Proceedings Paper CT 9th International Conference on Mechanical and Physical Behaviour of Materials under Dynamic Loading CY SEP 07-11, 2009 CL Royal Mil Acad, Brussels, BELGIUM HO Royal Mil Acad AB Determination of fracture toughness for metals under quasi-static loading conditions can follow well-established procedures and ASTM standards, The use of metallic materials in impact-related applications requires the determination of dynamic fracture initiation toughness for these materials. There are two main challenges in experiment design that must be overcome before valid dynamic data can be obtained. Dynamic equilibrium over the entire specimen needs to be approximately achieved to relate the crack tip loading state to the far-field loading conditions, and the loading rate at the crack tip should be maintained near constant during an experiment to delineate rate effects on the values of dynamic fracture toughness. A recently developed experimental technique for determining dynamic fracture toughness of brittle materials has been adapted to measure the dynamic initiation fracture toughness of high strength steel alloys. A split-Hopkinson pressure bar is used to apply the dynamic loading. A pulse shaper is used to achieve constant loading rate at the crack tip and dynamic equilibrium across the specimen. A four-point bending configuration is used at the impact section of the setup. Results are presented which show a rate dependent proportionality of fracture initiation toughness for 4340 high-strength steel. C1 [Foster, J. T.; Luk, V. K.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. [Chen, W. W.] Purdue Univ, Sch Aeronaut & Astronaut & Mat Engn, W Lafayette, IN USA. RP Foster, JT (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. RI Foster, John/K-5291-2016 OI Foster, John/0000-0002-7173-4728 NR 9 TC 0 Z9 0 U1 0 U2 1 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE BN 978-2-7598-0472-6 PY 2009 BP 407 EP + DI 10.1051/dymat/2009058 PG 2 WC Materials Science, Multidisciplinary; Mechanics SC Materials Science; Mechanics GA BMO55 UT WOS:000273127300057 ER PT B AU Gray, GT Livescu, V Cerreta, EK Mason, TA Maudlin, PJ Bingert, JF AF Gray, G. T. (Rusty), III Livescu, V. Cerreta, E. K. Mason, T. A. Maudlin, P. J. Bingert, J. F. GP EDPS TI Influence of shockwave obliquity on deformation twin formation in Ta SO DYMAT 2009: 9TH INTERNATIONAL CONFERENCE ON THE MECHANICAL AND PHYSICAL BEHAVIOUR OF MATERIALS UNDER DYNAMIC LOADING, VOL 2 LA English DT Proceedings Paper CT 9th International Conference on Mechanical and Physical Behaviour of Materials under Dynamic Loading CY SEP 07-11, 2009 CL Royal Mil Acad, Brussels, BELGIUM HO Royal Mil Acad ID PRESSURE AB Energetic loading subjects a material to a "Taylor wave" (triangular wave) loading profile that experiences an evolving balance of hydrostatic (spherical) and deviatoric stresses. While much has been learned over the past five decades concerning the propensity of deformation twinning in samples shock-loaded using "square-topped" profiles as a function of peak stress, achieved most commonly via flyer plate loading, less is known concerning twinning propensity during non-l-dimensional sweeping detonation wave loading. Systematic small-scale energetically-driven shock loading experiments were conducted on Ta samples shock-loaded with PETN that was edge detonated. Deformation twinning was quantified in post-mortem samples as a function of detonation geometry and radial position. In the edge detonated loading geometry examined in this paper, the average volume fraction of deformation twins was observed to increase with increasing shock obliquity. The results of this study are discussed in light of the formation rnechanisms of deformation twins, previous literature Studies of twinning in shocked materials, and modeling of the effects of shock obliquity on the stress tensor during shock loading. C1 [Gray, G. T. (Rusty), III; Livescu, V.; Cerreta, E. K.; Mason, T. A.; Maudlin, P. J.; Bingert, J. F.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Gray, GT (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. NR 14 TC 6 Z9 6 U1 0 U2 5 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE BN 978-2-7598-0473-3 PY 2009 BP 963 EP 969 DI 10.1051/dymat/2009135 PG 7 WC Materials Science, Multidisciplinary; Mechanics SC Materials Science; Mechanics GA BMO56 UT WOS:000273128000005 ER PT B AU Cerreta, E Bingert, J Trujillo, C Lopez, M Bronkhorst, C Hansen, B Gray, G AF Cerreta, E. Bingert, J. Trujillo, C. Lopez, M. Bronkhorst, C. Hansen, B. Gray, G. GP EDPS TI Dynamic shear deformation in high purity iron SO DYMAT 2009: 9TH INTERNATIONAL CONFERENCE ON THE MECHANICAL AND PHYSICAL BEHAVIOUR OF MATERIALS UNDER DYNAMIC LOADING, VOL 2 LA English DT Proceedings Paper CT 9th International Conference on Mechanical and Physical Behaviour of Materials under Dynamic Loading CY SEP 07-11, 2009 CL Royal Mil Acad, Brussels, BELGIUM HO Royal Mil Acad ID STAINLESS-STEEL; MECHANICAL-BEHAVIOR; MICROSTRUCTURE; LOCALIZATION; EVOLUTION; BANDS; RATES; FLOW; FE AB The forced shear test specimen, first developed by Meyer et al. [1, 2], has been utilized in a number of studies. While the geometry of this specimen does not allow for the microstructure to exactly define the location of shear band formation and the overall mechanical response of a specimen is highly sensitive to the geometry utilized, the forced shear specimen is useful for characterizing the influence of parameters such as strain rate, temperature, strain, and load on the microstructural evolution within a shear band. Additionally, many studies have utilized this geometry to advance the understanding of shear band development. In this study, by varying the geometry, specifically the ratio of the inner hole to the outer hat diameter, the dynamic shear localization response of high purity Fe was examined. Post mortem characterization was performed to quantify the width of the localizations and examine the microstructural and textural evolution of shear deformation in a bcc metal. Increased instability in mechanical response is strongly linked with development of enhanced intergranular misorientations, high angle boundaries, and classical shear textures characterized through orientation distribution functions. C1 [Cerreta, E.; Bingert, J.; Trujillo, C.; Lopez, M.; Bronkhorst, C.; Hansen, B.; Gray, G.] Los Alamos Natl Lab, MST-8,MS G755, Los Alamos, NM 87545 USA. RP Cerreta, E (reprint author), Los Alamos Natl Lab, MST-8,MS G755, Los Alamos, NM 87545 USA. RI Bronkhorst, Curt/B-4280-2011 OI Bronkhorst, Curt/0000-0002-2709-1964 FU Joint DoD/DOE Munitions Technology Development Program FX This work was performed under the auspices of the US Department of Energy and was supported by the Joint DoD/DOE Munitions Technology Development Program. NR 19 TC 0 Z9 0 U1 0 U2 1 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE BN 978-2-7598-0473-3 PY 2009 BP 977 EP + DI 10.1051/dymat/2009137 PG 3 WC Materials Science, Multidisciplinary; Mechanics SC Materials Science; Mechanics GA BMO56 UT WOS:000273128000007 ER PT B AU Meyers, MA Jarmakani, H Cao, BY Wei, CT Kad, B Remington, BA Bringa, EM Maddox, B Kalantar, D Eder, D Koniges, A AF Meyers, M. A. Jarmakani, H. Cao, B. Y. Wei, C. T. Kad, B. Remington, B. A. Bringa, E. M. Maddox, B. Kalantar, D. Eder, D. Koniges, A. GP EDPS TI Laser compression and fragmentation of metals SO DYMAT 2009: 9TH INTERNATIONAL CONFERENCE ON THE MECHANICAL AND PHYSICAL BEHAVIOUR OF MATERIALS UNDER DYNAMIC LOADING, VOL 2 LA English DT Proceedings Paper CT 9th International Conference on Mechanical and Physical Behaviour of Materials under Dynamic Loading CY SEP 07-11, 2009 CL Royal Mil Acad, Brussels, BELGIUM HO Royal Mil Acad ID MOLECULAR-DYNAMICS SIMULATIONS; NANOCRYSTALLINE MATERIALS; SHOCK COMPRESSION; DEFORMATION; WAVES; NUCLEATION; ALUMINUM; FRACTURE; COPPER; NICKEL AB Using the Janus LLNL and Omega facilities, we are using laser energy to generate shock and quasi-isentropic compression of monocrystalline, polycrystalline, and nanocrystalline FCC and BCC metallic specimens(Cu, Ni, V). We have investigated the internal defects generated by experimental and computational (MD) means. By comparing experimentally observed and computationally predicted structures we can obtain new insights into the fundamental deformation mechanisms. We have also investigated the mechanisms of spall initiation, propagation, and fragmentation. C1 [Meyers, M. A.; Jarmakani, H.; Cao, B. Y.; Wei, C. T.; Kad, B.] Univ Calif San Diego, La Jolla, CA 92093 USA. [Remington, B. A.; Bringa, E. M.; Maddox, B.; Kalantar, D.; Eder, D.; Koniges, A.] Lawrence Livermore Natl Lab, Livermore, CA USA. RP Meyers, MA (reprint author), Univ Calif San Diego, La Jolla, CA 92093 USA. RI Cao, Buyang/A-6136-2010; Bringa, Eduardo/F-8918-2011; Meyers, Marc/A-2970-2016 OI Meyers, Marc/0000-0003-1698-5396 FU UCOP under ILSA FX This research was funded by the UCOP under ILSA. We thank Dr. D. Correll for support and encouragement. NR 28 TC 1 Z9 1 U1 3 U2 8 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE BN 978-2-7598-0473-3 PY 2009 BP 999 EP + DI 10.1051/dymat/2009140 PG 3 WC Materials Science, Multidisciplinary; Mechanics SC Materials Science; Mechanics GA BMO56 UT WOS:000273128000010 ER PT B AU Zurek, AK Muszka, K Majta, J Wielgus, M AF Zurek, A. K. Muszka, K. Majta, J. Wielgus, M. GP EDPS TI Multiscale analysis of the effect of grain size on the dynamic behavior of microalloyed steels SO DYMAT 2009: 9TH INTERNATIONAL CONFERENCE ON THE MECHANICAL AND PHYSICAL BEHAVIOUR OF MATERIALS UNDER DYNAMIC LOADING, VOL 2 LA English DT Proceedings Paper CT 9th International Conference on Mechanical and Physical Behaviour of Materials under Dynamic Loading CY SEP 07-11, 2009 CL Royal Mil Acad, Brussels, BELGIUM HO Royal Mil Acad ID HIGH-STRAIN RATES; MECHANICAL-PROPERTIES; NANOCRYSTALLINE; DEFORMATION; ALUMINUM; HSLA; IRON AB This study presents some aspects of multiscale analysis and modeling of variously structured materials' behavior in quasi-static and dynamic loading conditions. The investigation was performed for two different materials of common application: high strength microalloyed steel (HSLA, X65), and as a reference more ductile material, Ti-IF steel. The MaxStrain technique and one pass hot rolling processes were used to produce ultrafine-grained and coarse-grained materials. The efficiency and inhomogeneity of microstructure refinement were examined because of their important role in work hardening and the initiation and growth of fracture under tensile stresses. It is shown that the combination of microstructures characterized by their different features contributes to the dynamic behavior and final properties of the product. In particular, the role of solute segregation at grain boundaries as well as precipitation of carbo nitrides in coarse and ultrafine-grained structures is assessed. The predicted mechanical response of ultrafine-grained structures, using modified KHL model is in reasonable agreement with the experiments. This is a result of proper representation of the role of dislocation structure and the grain boundary and their multiscale effects included in this model. C1 [Zurek, A. K.] Los Alamos Natl Lab, MS G755, Los Alamos, NM 87545 USA. [Muszka, K.; Majta, J.; Wielgus, M.] AGH Univ Sci & Technol, PL-30059 Krakow, Poland. RP Zurek, AK (reprint author), Los Alamos Natl Lab, MS G755, Los Alamos, NM 87545 USA. RI Muszka, Krzysztof/F-6272-2012 OI Muszka, Krzysztof/0000-0001-8449-7795 FU Ministry of Education and Science [N508 3812 33] FX Authors are grateful to the Ministry of Education and Science for the financial support (project no. N508 3812 33). NR 11 TC 0 Z9 0 U1 0 U2 3 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE BN 978-2-7598-0473-3 PY 2009 BP 1015 EP + DI 10.1051/dymat/2009142 PG 3 WC Materials Science, Multidisciplinary; Mechanics SC Materials Science; Mechanics GA BMO56 UT WOS:000273128000012 ER PT B AU Cady, CM Gray, GT Chen, SR Cerreta, EK Trujillo, CP Lopez, MF Aikin, RM Korzekwa, DR Kelly, AM AF Cady, C. M. Gray, G. T., III Chen, S. R. Cerreta, E. K. Trujillo, C. P. Lopez, M. F. Aikin, R. M., Jr. Korzekwa, D. R. Kelly, A. M. GP EDPS TI The mechanical response of a Uranium-Niobium alloy: A comparison of cast versus wrought processing SO DYMAT 2009: 9TH INTERNATIONAL CONFERENCE ON THE MECHANICAL AND PHYSICAL BEHAVIOUR OF MATERIALS UNDER DYNAMIC LOADING, VOL 2 LA English DT Proceedings Paper CT 9th International Conference on Mechanical and Physical Behaviour of Materials under Dynamic Loading CY SEP 07-11, 2009 CL Royal Mil Acad, Brussels, BELGIUM HO Royal Mil Acad ID SHAPE-MEMORY ALLOYS; NB; BEHAVIOR AB A rigorous experimentation and validation program is being undertaken to develop "process aware" constitutive models that elucidate the fundamental mechanisms controlling plasticity in uranium-6 wt.% niobium alloys (U-6Nb). The first alloy is a "wrought" material produced, by processing a cast ingot via forging and rolling into plate. The second material investigated is a direct cast U-6Nb alloy. The purpose of the investigation is to determine the principal differences, or more importantly, similarities, between the two materials due to processing. It is well known that parameters like grain size, impurity size and chemistry affect the deformation and failure characteristics of materials. Metallography conducted on these materials revealed that the microstructures are quite different. Characterization techniques including tension, compression, and shear testing were performed to quantify the principal differences between the materials as a function of stress state. Dynamic characterization using a split Hopkinson pressure bar in conjunction with Taylor impact testing was conducted to derive and thereafter validate constitutive material models. The primary differences between the materials will be described and predictions about material behavior will be made. C1 [Cady, C. M.; Gray, G. T., III; Chen, S. R.; Cerreta, E. K.; Trujillo, C. P.; Lopez, M. F.; Aikin, R. M., Jr.; Korzekwa, D. R.; Kelly, A. M.] Los Alamos Natl Lab, MST-8,MS G-755, Los Alamos, NM 87545 USA. RP Cady, CM (reprint author), Los Alamos Natl Lab, MST-8,MS G-755, Los Alamos, NM 87545 USA. NR 10 TC 0 Z9 0 U1 2 U2 14 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE BN 978-2-7598-0473-3 PY 2009 BP 1045 EP + DI 10.1051/dymat/2009146 PG 3 WC Materials Science, Multidisciplinary; Mechanics SC Materials Science; Mechanics GA BMO56 UT WOS:000273128000016 ER PT B AU Koller, DD Cerreta, EK Gray, GT AF Koller, D. D. Cerreta, E. K. Gray, G. T., III GP EDPS TI Shock induced multi-mode damage in depleted Uranium SO DYMAT 2009: 9TH INTERNATIONAL CONFERENCE ON THE MECHANICAL AND PHYSICAL BEHAVIOUR OF MATERIALS UNDER DYNAMIC LOADING, VOL 2 LA English DT Proceedings Paper CT 9th International Conference on Mechanical and Physical Behaviour of Materials under Dynamic Loading CY SEP 07-11, 2009 CL Royal Mil Acad, Brussels, BELGIUM HO Royal Mil Acad ID INTERFEROMETER AB Recent dynamic damage studies on depleted uranium samples have revealed mixed mode failure mechanisms leading to incipient cracking as well as ductile failure processes. Results show that delamination of inclusions upon compression may provide nucleation sites for damage initiation in the form of crack tip production. However, under tension the material propagates cracks in a mixed shear localization and mode-I ductile tearing and cracking. Cracks tips appear to link up through regions of severe, shear dominated plastic flow. Shock recovery experiments were conducted on a 50 mm single stage light gas gun. Serial metallographic sectioning was conducted on the recovered samples to characterize the bulk response of the sample. Experiments show delaminated inclusions due to uniaxial compression without damage propagation. Further results show the propagation of the damage through tensile loading to the incipient state, illustrating ductile processes coupled with mixed mode-I tensile ductile tearing, shear localization, and mode-I cracking in depleted uranium. C1 [Koller, D. D.; Cerreta, E. K.; Gray, G. T., III] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Koller, DD (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. NR 16 TC 1 Z9 1 U1 1 U2 7 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE BN 978-2-7598-0473-3 PY 2009 BP 1061 EP 1067 DI 10.1051/dymat/2009148 PG 7 WC Materials Science, Multidisciplinary; Mechanics SC Materials Science; Mechanics GA BMO56 UT WOS:000273128000018 ER PT B AU Song, B Lu, WY Chen, W AF Song, B. Lu, W. -Y. Chen, W. GP EDPS TI Strain-rate - temperature superposition behavior of Polymethylene Diisocyanate (PMDI) based rigid Polyurethane foams with different densities SO DYMAT 2009: 9TH INTERNATIONAL CONFERENCE ON THE MECHANICAL AND PHYSICAL BEHAVIOUR OF MATERIALS UNDER DYNAMIC LOADING, VOL 2 LA English DT Proceedings Paper CT 9th International Conference on Mechanical and Physical Behaviour of Materials under Dynamic Loading CY SEP 07-11, 2009 CL Royal Mil Acad, Brussels, BELGIUM HO Royal Mil Acad ID SOFT MATERIALS AB In our previous study, compressive Stress-strain responses of polymethylene diisocyanate (PMDI) based rigid polyurethane foams with three different densities have been experimentally determined at various strain rates and room temperature, as well as at various temperatures and a fixed high strain rate. On basis of the resulting data, the strain-rate - temperature superposition behavior of the PMDI-based foams was investigated in this study. A general strain-rate - temperature super-position principle was developed. Data of yield strength experimentally obtained at a fixed strain rate and various temperatures were numerically shifted to the strain-rate region at room temperature, based on the strain-rate - temperature superposition principle. The shifted data were found to be consistent with the experimental data obtained at various strain rates and room temperature. C1 [Song, B.; Lu, W. -Y.] Sandia Natl Labs, Livermore, CA 94551 USA. [Chen, W.] Purdue Univ, W Lafayette, IN 47907 USA. RP Song, B (reprint author), Sandia Natl Labs, Livermore, CA 94551 USA. RI Song, Bo/D-3945-2011 FU Sandia Corporation; United States Department of Energy [DE-AC04-94AL85000] FX This work was performed at Sandia National Laboratories, operated by Sandia Corporation. Sandia is a multiprogram laboratory, operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under Contract DE-AC04-94AL85000. NR 8 TC 1 Z9 1 U1 0 U2 0 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE BN 978-2-7598-0473-3 PY 2009 BP 1251 EP + DI 10.1051/dymat/2009176 PG 2 WC Materials Science, Multidisciplinary; Mechanics SC Materials Science; Mechanics GA BMO56 UT WOS:000273128000046 ER PT B AU Cherne, FJ Jensen, BJ Rigg, PA Elkin, VM AF Cherne, F. J. Jensen, B. J. Rigg, P. A. Elkin, V. M. GP EDPS TI Predictions from the equation of state of cerium yield interesting insights into experimental results SO DYMAT 2009: 9TH INTERNATIONAL CONFERENCE ON THE MECHANICAL AND PHYSICAL BEHAVIOUR OF MATERIALS UNDER DYNAMIC LOADING, VOL 2 LA English DT Proceedings Paper CT 9th International Conference on Mechanical and Physical Behaviour of Materials under Dynamic Loading CY SEP 07-11, 2009 CL Royal Mil Acad, Brussels, BELGIUM HO Royal Mil Acad ID ALPHA-PHASE-TRANSITION; UNIVERSAL FEATURES; GAMMA; COMPRESSION; ISOMORPHISM AB There has been much interest in the past in understanding the dynamic properties of phase changing materials. In this paper we begin to explore the dynamic properties of the complex material cerium. Cerium metal is a good candidate material to explore capabilities in determining a dynamic phase diagram on account of the relatively low pressures required for phase transitions, namely, the gamma - alpha, and alpha-liquid phase boundaries. Here we present a combination of experimental results with calculated results to try to understand the dynamic behavior of the material. Using the front surface impact technique, we performed a series of experiments which displayed a rarefaction shock upon release. These experiments show that the reversion shock stress occurs at different magnitudes, allowing us to plot the gamma - alpha phase boundary. When we include information from a multi-phase equation of state developed for cerium a broader understanding of the experimental results is obtained. C1 [Cherne, F. J.; Jensen, B. J.; Rigg, P. A.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. [Elkin, V. M.] RFNC VNIITF, Los Alamos, NM 87545 USA. RP Cherne, FJ (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. OI Cherne, Frank/0000-0002-8589-6058 FU US DOE [DE-AC52-06NA25396] FX Support for this work was done under US DOE contract DE-AC52-06NA25396. NR 10 TC 0 Z9 0 U1 0 U2 6 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE BN 978-2-7598-0473-3 PY 2009 BP 1291 EP + DI 10.1051/dymat/2009182 PG 2 WC Materials Science, Multidisciplinary; Mechanics SC Materials Science; Mechanics GA BMO56 UT WOS:000273128000052 ER PT B AU Germann, TC Dimonte, G Hammerberg, JE Kadau, K Quenneville, J Zellner, MB AF Germann, T. C. Dimonte, G. Hammerberg, J. E. Kadau, K. Quenneville, J. Zellner, M. B. GP EDPS TI Large-scale molecular dynamics simulations of particulate ejection and Richtmyer-Meshkov instability development in shocked copper SO DYMAT 2009: 9TH INTERNATIONAL CONFERENCE ON THE MECHANICAL AND PHYSICAL BEHAVIOUR OF MATERIALS UNDER DYNAMIC LOADING, VOL 2 LA English DT Proceedings Paper CT 9th International Conference on Mechanical and Physical Behaviour of Materials under Dynamic Loading CY SEP 07-11, 2009 CL Royal Mil Acad, Brussels, BELGIUM HO Royal Mil Acad ID SURFACES; WAVES; VIEW AB We present the results of recent large-scale, non-equilibrium molecular dynamics (NEMD) simulations of shock-induced surface instability development. We consider single crystal Cu described by an embedded atom method potential and driven by a shock wave along the [I I I] crystallographic direction, impinging upon a roughened Cu/vacuum or Cu/Ne interface. The NEMD simulation cell is a quasi-2D 2.23 mu m x 5.67 mu m slab geometry, 1.5 nm thick in the (periodic) third dimension. The first third of the sample length (1.89 mu m) is occupied by Cu (530 million atoms), and the remainder either empty vacuum or Ne gas (195 million atoms). The Cu/Ne (or Cu/vacuum) interface has an initial perturbation with average amplitude 30 nm and dominant wavelength of 0.74 mu m. A shock wave is created by driving the front end of the Cu slab at a fixed particle velocity u(p) = 2.0 to 3.5 km/s. Single-mode and multi-mode interfaces were considered using 212,992 CPUs of the LLNL BlueGene/L supercomputer for times on the order of 1 ns. The higher particle velocities studied here span shock Hugoniot and release states from solid to liquid, including the fluid-solid mixed phase. C1 [Germann, T. C.; Dimonte, G.; Hammerberg, J. E.; Kadau, K.; Quenneville, J.; Zellner, M. B.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Germann, TC (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. OI Germann, Timothy/0000-0002-6813-238X NR 24 TC 8 Z9 8 U1 2 U2 11 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE BN 978-2-7598-0473-3 PY 2009 BP 1499 EP 1505 DI 10.1051/dymat/2009212 PG 7 WC Materials Science, Multidisciplinary; Mechanics SC Materials Science; Mechanics GA BMO56 UT WOS:000273128000082 ER PT B AU Foster, JT Silling, SA Chen, WW AF Foster, J. T. Silling, S. A. Chen, W. W. GP EDPS TI State based peridynamic modeling of dynamic fracture SO DYMAT 2009: 9TH INTERNATIONAL CONFERENCE ON THE MECHANICAL AND PHYSICAL BEHAVIOUR OF MATERIALS UNDER DYNAMIC LOADING, VOL 2 LA English DT Proceedings Paper CT 9th International Conference on Mechanical and Physical Behaviour of Materials under Dynamic Loading CY SEP 07-11, 2009 CL Royal Mil Acad, Brussels, BELGIUM HO Royal Mil Acad ID BAR AB Peridynamics is a continuum reformulation of the classical partial differential equations of motion. The divergence of the stress field term in the conservation of linear momentum equation is replaced with an integral functional, which handles material constitutive response. The peridynamic model is a non-local theory. The original peridynamic formulation used a functional that relates forces on neighboring material points through a pair-wise linear potential or "bond". This had some drawbacks including a resulting Poisson ratio of 1/4. Recent developments have improved upon the original formulation through the use of peridynamic force-vector states. These force-vector states handle the constitutive behavior of the material allowing neighboring material points to interact with each other in any fashion desired, not just pair-wise. These recent developments also allow classical constitutive models (formulated in terms of stress-strain relationships) to be converted to force-vector states in a straightforward manner. The integral formulation of peridynamics allows for straightforward modeling of crack initiation and propagation because the integrals can be evaluated over discontinuities unlike partial differential equations. By analyzing the energy required to break all "bonds" across a plane of unit area (energy release rate), one can determine the critical energy density required to irreversibly fail a single "bond". By failing individual "bonds", this allows cracks to initiate, coalesce, and propagate without a prescribed external crack law. This is demonstrated using experimentally collected fracture toughness measurements to evaluate the energy release rate. This energy release rate is used to derive the fracture model input and a classic viscoplastic constitutive law is used to model the deformation around the failure. Simulations are compared to experimental results. C1 [Foster, J. T.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. [Silling, S. A.] Sandia Natl Labs, Dept Multiscale Dynam Mat Modeling, Sandia, Peoples R China. [Chen, W. W.] Purdue Univ, Sch Aeronaut & Astronaut Mat Engn, W Lafayette, IN 47907 USA. RP Foster, JT (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. RI Foster, John/K-5291-2016 OI Foster, John/0000-0002-7173-4728 NR 8 TC 0 Z9 0 U1 0 U2 8 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE BN 978-2-7598-0473-3 PY 2009 BP 1529 EP + DI 10.1051/dymat/2009216 PG 3 WC Materials Science, Multidisciplinary; Mechanics SC Materials Science; Mechanics GA BMO56 UT WOS:000273128000086 ER PT B AU Kuklja, MM Rashkeev, SN AF Kuklja, M. M. Rashkeev, S. N. GP EDPS TI Molecular instability at the shear-stress interface SO DYMAT 2009: 9TH INTERNATIONAL CONFERENCE ON THE MECHANICAL AND PHYSICAL BEHAVIOUR OF MATERIALS UNDER DYNAMIC LOADING, VOL 2 LA English DT Proceedings Paper CT 9th International Conference on Mechanical and Physical Behaviour of Materials under Dynamic Loading CY SEP 07-11, 2009 CL Royal Mil Acad, Brussels, BELGIUM HO Royal Mil Acad ID 1,1-DIAMINO-2,2-DINITROETHYLENE; DECOMPOSITION; STATE AB Most extensive efforts in studying buried interfaces are focused on exploring optical, electronic, and magnetic properties. Very little is known about stability of those interfaces. A variety of buried interfaces in energetic molecular materials are of special interest because of their potential association with hot spots, or localized regions that control the dissipation and localization of the mechanical energy and its transfer into the chemical energy. The hot spots are assumed to originate an instability in the material, which leads to the chemical decomposition and ultimately to an explosive chain reaction that releases large amounts of energy stored in these materials. We performed first-principles calculations in order to understand atomic scale mechanisms of these instabilities and the initiation of chemical processes in crystalline DADNE. We report and analyze significant differences in decomposition mechanisms of interfacial molecules in comparison to molecules placed in the bulk crystal. C1 [Kuklja, M. M.] Univ Maryland, Dept Mat Sci & Engn, College Pk, MD 20742 USA. [Kuklja, M. M.] Natl Sci Fdn, Arlington, VA 22230 USA. [Rashkeev, S. N.] Ctr Adv Modeling & Simulat, Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Kuklja, MM (reprint author), Univ Maryland, Dept Mat Sci & Engn, College Pk, MD 20742 USA. FU ARO MURI [W9011NF-05-1-0266]; ONR [N00014-09-1-0225]; INL LDRD program; DoE, Office of Nuclear Energy under DoE Idaho Operations Office [DE-AC07-051D14517]; INL; NERSC; U.S. DoE [DE-AC02-05CH11231]; MMK is grateful to the Office of the Director of National Science Foundation IRD Program FX This work is supported in part by ARO MURI (Grant #W9011NF-05-1-0266), by ONR (Grant #N00014-09-1-0225), by the INL LDRD program and by the DoE, Office of Nuclear Energy under DoE Idaho Operations Office Contract DE-AC07-051D14517, and by a grant of computer time from the High Performance Computing program at the INL. Also, this research used resources of the NERSC, which is supported in part by the U.S. DoE under Contract No. DE-AC02-05CH11231. MMK is grateful to the Office of the Director of National Science Foundation for support under the IRD Program. Any appearance of findings, conclusions, or recommendations, expressed in this material are those of the authors and do not necessarily reflect views of NSF. NR 13 TC 0 Z9 0 U1 0 U2 3 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE BN 978-2-7598-0473-3 PY 2009 BP 1723 EP + DI 10.1051/dymat/2009243 PG 2 WC Materials Science, Multidisciplinary; Mechanics SC Materials Science; Mechanics GA BMO56 UT WOS:000273128000113 ER PT J AU Ruth, M Bernier, C Meier, A Laitner, J AF Ruth, Matthias Bernier, Clark Meier, Alan Laitner, John 'Skip' BE Ruth, M Davidsdottir, B TI PowerPlay: developing strategies to promote energy efficiency SO DYNAMICS OF REGIONS AND NETWORKS IN INDUSTRIAL ECOSYSTEMS LA English DT Article; Book Chapter ID INDIVIDUAL DISCOUNT RATES; DURABLES; PURCHASE C1 [Ruth, Matthias] Univ Maryland, Sch Publ Policy, Environm Policy Program, College Pk, MD 20742 USA. [Ruth, Matthias] Univ Maryland, Ctr Integrat Environm Res, Div Res, College Pk, MD 20742 USA. [Ruth, Matthias] Univ Maryland, Engn & Publ Policy Program, College Pk, MD 20742 USA. [Bernier, Clark] Massey Univ, Palmerston North, New Zealand. [Meier, Alan] Lawrence Berkeley Natl Lab, Berkeley, CA USA. [Meier, Alan] Int Energy Agcy, Paris, France. RP Ruth, M (reprint author), Univ Maryland, Sch Publ Policy, Environm Policy Program, College Pk, MD 20742 USA. NR 24 TC 0 Z9 0 U1 0 U2 0 PU EDWARD ELGAR PUBLISHING LTD PI CHELTENHAM PA GLENSANDA HOUSE, MONTPELLIER PARADE, CHELTENHAM GL50 1UA, GLOS, ENGLAND BN 978-1-84720-742-5 PY 2009 BP 201 EP 223 PG 23 WC Computer Science, Hardware & Architecture; Ecology; Environmental Sciences; Environmental Studies; Management SC Computer Science; Environmental Sciences & Ecology; Business & Economics GA BSX07 UT WOS:000285995300013 ER PT J AU Hecht, AD Shaw, D Bruins, R Dale, V Kline, K Chen, A AF Hecht, Alan D. Shaw, Denice Bruins, Randy Dale, Virginia Kline, Keith Chen, Alice TI Good policy follows good science: using criteria and indicators for assessing sustainable biofuel production SO ECOTOXICOLOGY LA English DT Editorial Material DE Biofuels; Criteria; Indicators; Sustainability AB Developing scientific criteria and indicators should play a critical role in charting a sustainable path for the rapidly developing biofuel industry. The challenge ahead in developing such criteria and indicators is to address the limitations on data and modeling. C1 [Hecht, Alan D.] US EPA, Off Res & Dev, Washington, DC 20460 USA. [Shaw, Denice] Natl Ctr Environm Assessment ORD, Washington, DC USA. [Bruins, Randy] Natl Exposure Res Lab ORD, Cincinnati, OH USA. [Dale, Virginia; Kline, Keith] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Chen, Alice] EPA ORD, AAAS, Washington, DC 20460 USA. RP Hecht, AD (reprint author), US EPA, Off Res & Dev, Washington, DC 20460 USA. EM Hecht.alan@EPA.gov RI Dale, Virginia/B-6023-2009; Fernandez-Tirado, Francisca/F-3380-2010; OI Kline, Keith/0000-0003-2294-1170 NR 8 TC 9 Z9 9 U1 0 U2 6 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0963-9292 J9 ECOTOXICOLOGY JI Ecotoxicology PD JAN PY 2009 VL 18 IS 1 BP 1 EP 4 DI 10.1007/s10646-008-0293-y PG 4 WC Ecology; Environmental Sciences; Toxicology SC Environmental Sciences & Ecology; Toxicology GA 396JY UT WOS:000262589200001 PM 19096933 ER PT B AU San Marchi, C Nibur, KA Balch, DK Somerday, BP Tang, X Schiroky, GH Michler, T AF San Marchi, C. Nibur, K. A. Balch, D. K. Somerday, B. P. Tang, X. Schiroky, G. H. Michler, T. BE Somerday, B Sofronis, P Jones, R TI HYDROGEN-ASSISTED FRACTURE OF AUSTENITIC STAINLESS STEELS SO EFFECTS OF HYDROGEN ON MATERIALS LA English DT Proceedings Paper CT International Conference on Effects of Hydrogen on Materials CY SEP 07-10, 2008 CL Grand Teton Natl Park, WY ID STACKING-FAULT ENERGY; DISLOCATION INTERACTIONS; NUMERICAL SIMULATIONS; PLASTICITY; LOCALIZATION; FLOW AB Although austenitic stainless steels are often categorized as negligibly embrittled in hydrogen, resistance to hydrogen-assisted fracture in this broad class of materials is realized only within certain windows of variables. In reality, hydrogen-assisted fracture is strongly influenced by environmental and material variables such as temperature, hydrogen environment, alloy composition, ferrite content, and microstructure. Under particular intersections of variables, hydrogen-assisted fracture can actually be quite severe. For example, in the 300-series austenitic stainless steels, specimens with low nickel content tested at sub-ambient temperature can suffer substantial reduction in ductility when exposed to hydrogen. The variation in resistance to hydrogen-assisted fracture over a range of environmental and material variables is reflected in the fracture mechanisms, which can feature microvoid nucleation at inclusions, microvoid nucleation at the intersection of deformation bands, fracture along interfaces, and fracture in ferritic phases (when present). In many cases, the fracture mechanism is strongly linked to the effects of hydrogen on deformation. In this brief report, we provide an overview of work performed primarily at Sandia National Laboratories on hydrogen-assisted fracture in austenitic stainless steels, emphasizing the environmental and material variables that dominate the observed deformation and fracture mechanisms. C1 [San Marchi, C.; Nibur, K. A.; Balch, D. K.; Somerday, B. P.] Sandia Natl Labs, Livermore, CA 94550 USA. RP San Marchi, C (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. NR 29 TC 9 Z9 9 U1 1 U2 2 PU ASM INTERNATIONAL PI MATERIALS PARK PA 9503 KINSMAN RD, MATERIALS PARK, OH 44073 USA BN 978-1-61503-003-3 PY 2009 BP 88 EP 96 PG 9 WC Engineering, Mechanical; Materials Science, Multidisciplinary SC Engineering; Materials Science GA BUG49 UT WOS:000289219200009 ER PT B AU Melcher, RJ Schembri, PE AF Melcher, Ryan J. Schembri, Philip E. BE Somerday, B Sofronis, P Jones, R TI EFFECT OF CRACK-TIP HYDROGEN PROFILES ON THE EMBRITTLED FRACTURE TOUGHNESS OF A STAINLESS STEEL SO EFFECTS OF HYDROGEN ON MATERIALS LA English DT Proceedings Paper CT International Conference on Effects of Hydrogen on Materials CY SEP 07-10, 2008 CL Grand Teton Natl Park, WY AB As part of ongoing work to determine the bounds of transferability of hydrogen embrittled fracture toughness test data, this paper investigates the sensitivity of hydrogen embrittled fracture toughness to modification of the crack tip hydrogen field. Compact tension fracture specimens manufactured from 21Cr-6Ni-9Mn stainless steel are preconditioned in 63 MPa hydrogen at 300 degrees C to achieve a uniform internal hydrogen concentration. Once uniformly preconditioned, the pressure and temperature are controlled to partially remove hydrogen from the crack tip subsurface, creating a hydrogen profile in the region in which the plastic strains are expected to be highest during the fracture test. Standard J-R curve fracture toughness tests are then performed on each specimen in ambient air. Differing fracture toughness between specimens with different hydrogen profiles would be evidence that the hydrogen affected fracture mechanism is active mainly within the large plastic strain region ahead of the crack tip and is sensitive to these concentration perturbations. This knowledge would then provide insight into whether toughness data obtained using hydrogen preconditioned specimens is transferable to components in hydrogen service. C1 [Melcher, Ryan J.; Schembri, Philip E.] Los Alamos Natl Lab, Los Alamos, NM USA. RP Melcher, RJ (reprint author), Los Alamos Natl Lab, Los Alamos, NM USA. NR 14 TC 1 Z9 1 U1 0 U2 0 PU ASM INTERNATIONAL PI MATERIALS PARK PA 9503 KINSMAN RD, MATERIALS PARK, OH 44073 USA BN 978-1-61503-003-3 PY 2009 BP 113 EP 122 PG 10 WC Engineering, Mechanical; Materials Science, Multidisciplinary SC Engineering; Materials Science GA BUG49 UT WOS:000289219200012 ER PT B AU Morgan, MJ Lam, PS Wheeler, DA AF Morgan, Michael J. Lam, Poh-Sang Wheeler, Dean A. BE Somerday, B Sofronis, P Jones, R TI HYDROGEN EFFECTS ON STRAIN-INDUCED MARTENSITE FORMATION IN TYPE 304L STAINLESS STEEL SO EFFECTS OF HYDROGEN ON MATERIALS LA English DT Proceedings Paper CT International Conference on Effects of Hydrogen on Materials CY SEP 07-10, 2008 CL Grand Teton Natl Park, WY ID EMBRITTLEMENT; CRACKING C1 [Morgan, Michael J.; Lam, Poh-Sang] Savannah River Natl Lab, Aiken, SC USA. RP Morgan, MJ (reprint author), Savannah River Natl Lab, Aiken, SC USA. NR 14 TC 0 Z9 0 U1 0 U2 1 PU ASM INTERNATIONAL PI MATERIALS PARK PA 9503 KINSMAN RD, MATERIALS PARK, OH 44073 USA BN 978-1-61503-003-3 PY 2009 BP 171 EP 178 PG 8 WC Engineering, Mechanical; Materials Science, Multidisciplinary SC Engineering; Materials Science GA BUG49 UT WOS:000289219200019 ER PT B AU Pawel, SJ Gardiner, MR AF Pawel, S. J. Gardiner, M. R. BE Somerday, B Sofronis, P Jones, R TI HYDROGEN DELIVERY: INFRASTRUCTURE, CHALLENGES, AND MATERIALS NEEDS SO EFFECTS OF HYDROGEN ON MATERIALS LA English DT Proceedings Paper CT International Conference on Effects of Hydrogen on Materials CY SEP 07-10, 2008 CL Grand Teton Natl Park, WY AB Current domestic energy policy is aimed at encouraging the development of alternative fuels such as hydrogen for use as a renewable and environmentally-friendly alternative to traditional petroleum-based fuels for transportation and stationary power. The purpose of the Hydrogen Delivery Technical Team is to provide insight and input on hydrogen delivery infrastructure research. Ongoing research has identified materials R&D challenges required to support this infrastructure. A few of these challenges are summarized with emphasis placed on materials. C1 [Pawel, S. J.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Pawel, SJ (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. NR 2 TC 0 Z9 0 U1 0 U2 1 PU ASM INTERNATIONAL PI MATERIALS PARK PA 9503 KINSMAN RD, MATERIALS PARK, OH 44073 USA BN 978-1-61503-003-3 PY 2009 BP 316 EP 323 PG 8 WC Engineering, Mechanical; Materials Science, Multidisciplinary SC Engineering; Materials Science GA BUG49 UT WOS:000289219200037 ER PT B AU Nibur, KA Somerday, BP Balch, DK San Marchi, C AF Nibur, K. A. Somerday, B. P. Balch, D. K. San Marchi, C. BE Somerday, B Sofronis, P Jones, R TI SUSTAINED LOAD CRACKING OF STEELS FOR HYDROGEN STORAGE AND DELIVERY SO EFFECTS OF HYDROGEN ON MATERIALS LA English DT Proceedings Paper CT International Conference on Effects of Hydrogen on Materials CY SEP 07-10, 2008 CL Grand Teton Natl Park, WY AB It has become generally accepted that high strength steels (tensile strength > 950 MPa) are unsuitable for use as hydrogen containment vessels due to the hydrogen-assisted fracture susceptibility of these alloys, therefore, interest has shifted to lower strength steels. Sustained load cracking experiments were conducted on four such steels following the basic procedures of a new American Society of Mechanical Engineers (ASME) design code. Resulting measurements of the threshold stress intensity factor for hydrogen-assisted fracture suggest these steels could be used reliably in high-pressure hydrogen service. Examination of the fracture surfaces and fracture profiles suggests hydrogen induced cracking occurs preferentially in ferrite grains and proceeds due to decohesion at carbide and martensite lath interfaces. C1 [Nibur, K. A.; Somerday, B. P.; Balch, D. K.; San Marchi, C.] Sandia Natl Labs, Livermore, CA 94550 USA. RP Nibur, KA (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. NR 13 TC 0 Z9 0 U1 0 U2 0 PU ASM INTERNATIONAL PI MATERIALS PARK PA 9503 KINSMAN RD, MATERIALS PARK, OH 44073 USA BN 978-1-61503-003-3 PY 2009 BP 341 EP 348 PG 8 WC Engineering, Mechanical; Materials Science, Multidisciplinary SC Engineering; Materials Science GA BUG49 UT WOS:000289219200040 ER PT B AU Erck, R Fenske, G Eryilmaz, O AF Erck, Robert Fenske, George Eryilmaz, Osman BE Somerday, B Sofronis, P Jones, R TI FRICTION AND WEAR OF METALS AND COATINGS USED IN HYDROGEN SO EFFECTS OF HYDROGEN ON MATERIALS LA English DT Proceedings Paper CT International Conference on Effects of Hydrogen on Materials CY SEP 07-10, 2008 CL Grand Teton Natl Park, WY ID CARBON-FILMS; DIAMOND; VACUUM AB Mechanical components used in the production and delivery of hydrogen, such as those used in compressors for pipeline or point-of-delivery applications, can be subject to excessive wear, have poor reliability, or may require the use of lubricants that can contaminate the hydrogen. In order to understand these potential problems affecting the economics and reliability of components, experiments were undertaken to assess the friction and wear properties of candidate materials, such as stainless steel, Ti, and Ni alloys. Coatings, based on graphite, diamondlike carbon (DLC), or MoS(2) were also examined. Tribological test results are presented for high-speed sliding tests of materials in pure hydrogen, other gases and vacuum. Measured metal/metal friction coefficients fell between 0.4 and 1.4, but for coatings such as MoS(2) or DLC, the friction coefficients were between 0.05 and 0.2 and coating/metal transfer was observed. Friction coefficients varied strongly with sliding speed but were insensitive to sliding load. Some graphs of typical frictional behavior are presented and summary frictional data are tabulated. C1 [Erck, Robert; Fenske, George; Eryilmaz, Osman] Argonne Natl Lab, Argonne, IL 60439 USA. RP Erck, R (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. NR 7 TC 0 Z9 0 U1 0 U2 0 PU ASM INTERNATIONAL PI MATERIALS PARK PA 9503 KINSMAN RD, MATERIALS PARK, OH 44073 USA BN 978-1-61503-003-3 PY 2009 BP 405 EP 412 PG 8 WC Engineering, Mechanical; Materials Science, Multidisciplinary SC Engineering; Materials Science GA BUG49 UT WOS:000289219200048 ER PT B AU Au, M AF Au, Ming BE Somerday, B Sofronis, P Jones, R TI HYDROGEN DISTRIBUTION IN STRESSED SUPER ALLOYS - A TRITIUM AUTORADIOGRAPHY INVESTIGATION SO EFFECTS OF HYDROGEN ON MATERIALS LA English DT Proceedings Paper CT International Conference on Effects of Hydrogen on Materials CY SEP 07-10, 2008 CL Grand Teton Natl Park, WY AB The hydrogen distribution in Ni base super alloys was investigated by tritium autoradiography. It was found that hydrogen concentrates along the grain boundaries and interface of carbides - matrix and inclusion-matrix in annealed alloys. Under mechanical stress, the twisted and rotated boundaries, twin transformation and slipped plains surrounded them trapped significant hydrogen due to high stress and strain in these locations. It suggests that the deformation and displacement of grain boundaries may be most responsible for hydrogen embrittlement. C1 Savannah River Natl Lab, Aiken, SC USA. RP Au, M (reprint author), Savannah River Natl Lab, Aiken, SC USA. NR 13 TC 1 Z9 1 U1 0 U2 0 PU ASM INTERNATIONAL PI MATERIALS PARK PA 9503 KINSMAN RD, MATERIALS PARK, OH 44073 USA BN 978-1-61503-003-3 PY 2009 BP 501 EP 507 PG 7 WC Engineering, Mechanical; Materials Science, Multidisciplinary SC Engineering; Materials Science GA BUG49 UT WOS:000289219200060 ER PT B AU Schembri, P AF Schembri, Philip BE Somerday, B Sofronis, P Jones, R TI SENSITIVITY TO TEMPERATURE AND MATERIAL PROPERTIES OF HYDROGEN CONCENTRATION AT A CRACK TIP IN AUSTENITIC STAINLESS STEEL SO EFFECTS OF HYDROGEN ON MATERIALS LA English DT Proceedings Paper CT International Conference on Effects of Hydrogen on Materials CY SEP 07-10, 2008 CL Grand Teton Natl Park, WY DE Crack-tip fields; finite element analysis; sensitivity analysis ID STRESS; EMBRITTLEMENT; ALLOYS AB The focus of the current work is quantification of the effect of material properties (structural and diffusion) and temperature on the stress and hydrogen concentration at the tip of a crack. A coupled finite element model of a compact tension specimen is used in which the effect of stress and trapping on the hydrogen diffusion is accounted for. Results show that, within the ranges of inputs considered, increasing yield stress and decreasing temperature have similar effects on the maximum stress. Also, yield stress and temperature are shown to have comparable effects on the lattice hydrogen concentration. Trap site density has a much larger effect on trap concentration than does trap binding energy since traps saturate quickly within the ranges of inputs considered. C1 Los Alamos Natl Lab, Los Alamos, NM USA. RP Schembri, P (reprint author), Los Alamos Natl Lab, Los Alamos, NM USA. NR 23 TC 2 Z9 2 U1 0 U2 0 PU ASM INTERNATIONAL PI MATERIALS PARK PA 9503 KINSMAN RD, MATERIALS PARK, OH 44073 USA BN 978-1-61503-003-3 PY 2009 BP 570 EP 579 PG 10 WC Engineering, Mechanical; Materials Science, Multidisciplinary SC Engineering; Materials Science GA BUG49 UT WOS:000289219200069 ER PT B AU Cowgill, DF AF Cowgill, Donald F. BE Somerday, B Sofronis, P Jones, R TI PHYSICS OF HE PLATELETS IN METAL TRITIDES SO EFFECTS OF HYDROGEN ON MATERIALS LA English DT Proceedings Paper CT International Conference on Effects of Hydrogen on Materials CY SEP 07-10, 2008 CL Grand Teton Natl Park, WY ID HELIUM BUBBLES; EVOLUTION; STORAGE AB Thin He-filled platelets bounded by an attached dislocation dipole are shown to be stable structures in fcc metals with low surface energy and high shear modulus. They can form from Griffith-like nano-cracks, grow by radial expansion of the dipole, and transition to spherical bubbles if the dislocations become detached. Formulations of gas pressures within these precipitates are tested by lattice dilation data and changes in their dimensions with age. C1 Sandia Natl Labs, Livermore, CA 94550 USA. RP Cowgill, DF (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. NR 15 TC 1 Z9 1 U1 1 U2 4 PU ASM INTERNATIONAL PI MATERIALS PARK PA 9503 KINSMAN RD, MATERIALS PARK, OH 44073 USA BN 978-1-61503-003-3 PY 2009 BP 686 EP 693 PG 8 WC Engineering, Mechanical; Materials Science, Multidisciplinary SC Engineering; Materials Science GA BUG49 UT WOS:000289219200083 ER PT B AU Tosten, MH Morgan, MJ AF Tosten, M. H. Morgan, M. J. BE Somerday, B Sofronis, P Jones, R TI TRANSMISSION ELECTRON MICROSCOPY STUDY OF HELIUM-BEARING FUSION WELDS SO EFFECTS OF HYDROGEN ON MATERIALS LA English DT Proceedings Paper CT International Conference on Effects of Hydrogen on Materials CY SEP 07-10, 2008 CL Grand Teton Natl Park, WY AB A transmission electron microscopy (TEM) study was conducted to characterize the helium bubble distributions in tritium-charged-and-aged 304L and 21Cr-6Ni-9Mn stainless steel fusion welds containing approximately 150 appm helium-3. TEM foils were prepared from C-shaped fracture toughness test specimens containing delta (delta) ferrite levels ranging from 4 to 33 volume percent. The weld microstructures in the low ferrite welds consisted mostly of austenite and discontinuous, skeletal delta ferrite. In welds with higher levels of delta ferrite, the ferrite was more continuous and, in some areas of the 33 volume percent sample, was the matrix/majority phase. The helium bubble microstructures observed were similar in all samples. Bubbles were found in the austenite but not in the delta ferrite. In the austenite, bubbles had nucleated homogeneously in the grain interiors and heterogeneously on dislocations. Bubbles were not found on any austenite/austenite grain boundaries or at the austenite/delta ferrite interphase interfaces. Bubbles were not observed in the delta ferrite because of the combined effects of the low solubility and rapid diffusion of tritium through the delta ferrite which limited the amount of helium present to form visible bubbles. C1 [Tosten, M. H.; Morgan, M. J.] Savannah River Natl Lab, Aiken, SC 29808 USA. RP Tosten, MH (reprint author), Savannah River Natl Lab, Aiken, SC 29808 USA. NR 8 TC 0 Z9 0 U1 0 U2 2 PU ASM INTERNATIONAL PI MATERIALS PARK PA 9503 KINSMAN RD, MATERIALS PARK, OH 44073 USA BN 978-1-61503-003-3 PY 2009 BP 694 EP 701 PG 8 WC Engineering, Mechanical; Materials Science, Multidisciplinary SC Engineering; Materials Science GA BUG49 UT WOS:000289219200084 ER PT B AU Kammler, DR Wampler, WR Van Deusen, SB King, SH Tissot, RG Brewer, LN Espada, LI Goeke, RS AF Kammler, Daniel R. Wampler, William R. Van Deusen, Stuart B. King, Saskia H. Tissot, Ralph G. Brewer, Luke N. Espada, Loren I. Goeke, Ronald S. BE Somerday, B Sofronis, P Jones, R TI D LOSS AS A FUNCTION OF TEMPERATURE IN ERD(2) FILMS ON KOVAR WITH AND WITHOUT AN INTERMEDIATE MO DIFFUSION BARRIER SO EFFECTS OF HYDROGEN ON MATERIALS LA English DT Proceedings Paper CT International Conference on Effects of Hydrogen on Materials CY SEP 07-10, 2008 CL Grand Teton Natl Park, WY DE Diffusion; Erbium Deuteride; Hydrogen Storage AB The mechanisms governing D loss in ErD(2) films with and without a Mo diffusion barrier on kovar substrates were studied between 200 and 600 degrees C via in-situ Ion Beam Analysis (IBA). Significant intermixing between kovar and Er was observed above 450 degrees C and between kovar and ErD(2) above 500 degrees C. The D loss mechanism in ErD(2), films was found to change from intermixing between kovar and ErD(2) at low temperatures (< 500 degrees C) to thermal decomposition at higher temperatures (> 500 degrees C). Diffusion between kovar and ErD(2) was measured isothermally at 500 and 550 degrees C. An activation energy of 2.1 eV and a pre-exponential factor of 0.071 cm(2)/s were determined. Diffusion between the kovar components and ErD(2) film was inhibited by depositing a 200 nm Mo diffusion barrier between the kovar substrate and the ErD(2) film. The processing of the Mo diffusion barrier was shown to impact its performance. Intermixing between the kovar / Mo / ErD(2) stack becomes significant between 500 and 550 degrees C with a sputter deposited Mo diffusion barrier and between 550 and 600 degrees C for an electron-beam evaporated Mo diffusion barrier. C1 [Kammler, Daniel R.; Wampler, William R.; Van Deusen, Stuart B.; King, Saskia H.; Tissot, Ralph G.; Brewer, Luke N.; Espada, Loren I.; Goeke, Ronald S.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Kammler, DR (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 6 TC 0 Z9 0 U1 0 U2 1 PU ASM INTERNATIONAL PI MATERIALS PARK PA 9503 KINSMAN RD, MATERIALS PARK, OH 44073 USA BN 978-1-61503-003-3 PY 2009 BP 718 EP 725 PG 8 WC Engineering, Mechanical; Materials Science, Multidisciplinary SC Engineering; Materials Science GA BUG49 UT WOS:000289219200087 ER PT B AU Clark, EA AF Clark, Elliot A. BE Somerday, B Sofronis, P Jones, R TI TRITIUM EFFECTS ON DYNAMIC MECHANICAL PROPERTIES OF POLYMERIC MATERIALS SO EFFECTS OF HYDROGEN ON MATERIALS LA English DT Proceedings Paper CT International Conference on Effects of Hydrogen on Materials CY SEP 07-10, 2008 CL Grand Teton Natl Park, WY ID RADIATION; PTFE AB Dynamic mechanical analysis has been used to characterize the effects of tritium gas (initially 1 atm. pressure, ambient temperature) exposure over times up to 2.3 years on several thermoplastics- ultrahigh molecular weight polyethylene (UHMW-PE), polytetrafluoroethylene (PTFE), and Vespel (R) polyimide, and on several formulations of elastomers based on ethylene propylene diene monomer (EPDM). Tritium exposure stiffened the elastic modulus of UHMW-PE up to about 1 year and then softened it, and reduced the viscous response monotonically with time. PTFE initially stiffened, however the samples became too weak to handle after nine months exposure. The dynamic properties of Vespel (R) were not affected. The glass transition temperature of the EPDM formulations increased approximately 4 degrees C. following three months tritium exposure. C1 Savannah River Natl Lab, Aiken, SC USA. RP Clark, EA (reprint author), Savannah River Natl Lab, Aiken, SC USA. NR 8 TC 1 Z9 1 U1 0 U2 3 PU ASM INTERNATIONAL PI MATERIALS PARK PA 9503 KINSMAN RD, MATERIALS PARK, OH 44073 USA BN 978-1-61503-003-3 PY 2009 BP 726 EP 734 PG 9 WC Engineering, Mechanical; Materials Science, Multidisciplinary SC Engineering; Materials Science GA BUG49 UT WOS:000289219200088 ER PT J AU Li, SH Haskew, TA Muljadi, E Serrentino, C AF Li, Shuhui Haskew, Timothy A. Muljadi, Eduard Serrentino, Cristina TI Characteristic Study of Vector-controlled Direct-driven Permanent Magnet Synchronous Generator in Wind Power Generation SO ELECTRIC POWER COMPONENTS AND SYSTEMS LA English DT Article DE wind power; direct-driven permanent magnet synchronous generator; AC machine d-q vector control; rotor flux orientation; modeling and simulation ID SYSTEMS AB With the advance of power electronics, direct-driven permanent magnet synchronous generators have drawn increased interest to wind turbine manufacturers due to its advantages over other variable-speed wind turbines. This article studies permanent magnet synchronous generator characteristics under the general d-q control strategy in the rotor-flux-oriented frame so as to benefit the development of advanced permanent magnet synchronous generator control technology. Compared to traditional approaches, the specific features of the article are (1) a steady-state permanent magnet synchronous generator model in a d-q reference frame, ( 2) a simulation mechanism that reflects the general permanent magnet synchronous generator d-q control strategy, (3) an integrative study that combines generator-converted power with extracted wind power characteristics, and (4) a joint investigation incorporating both steady-state and transient evaluations. Extensive simulation-based analysis is conducted to study how permanent magnet synchronous generator characteristics are affected by different d-q control conditions and are interacted with wind power drive characteristics in power generation and speed regulation of a permanent magnet synchronous generator wind turbine. C1 [Li, Shuhui; Haskew, Timothy A.; Serrentino, Cristina] Univ Alabama, Dept Elect & Comp Engn, Tuscaloosa, AL 35487 USA. [Muljadi, Eduard] Natl Renewable Energy Lab, Natl Wind Technol Ctr, Golden, CO USA. RP Li, SH (reprint author), Univ Alabama, Dept Elect & Comp Engn, 317 Houser Hall,Box 870286, Tuscaloosa, AL 35487 USA. EM sli@eng.ua.edu NR 19 TC 9 Z9 9 U1 0 U2 1 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA SN 1532-5008 EI 1532-5016 J9 ELECTR POW COMPO SYS JI Electr. Power Compon. Syst. PY 2009 VL 37 IS 10 BP 1162 EP 1179 DI 10.1080/15325000902954052 PG 18 WC Engineering, Electrical & Electronic SC Engineering GA 545EU UT WOS:000273716100007 ER PT J AU Chen, ZH Qin, Y Liu, J Amine, K AF Chen, Zonghai Qin, Yan Liu, Jun Amine, K. TI Lithium Difluoro(oxalato)borate as Additive to Improve the Thermal Stability of Lithiated Graphite SO ELECTROCHEMICAL AND SOLID STATE LETTERS LA English DT Article DE decomposition; differential scanning calorimetry; graphite; lithium compounds; organic compounds; organometallic compounds; solid electrolytes; thermal stability ID LIBOB-BASED ELECTROLYTES; ION BATTERIES; REACTION-KINETICS; SALT; INTERFACE; ANODES; SIZE AB The reaction of lithiated graphite with a nonaqueous electrolyte of 1.2 M LiPF(6) in ethylene carbonate/ethyl methyl carbonate (3:7 by weight) was investigated using differential scanning calorimetry. The decomposition of the solid electrolyte interphase (SEI) took place at about 100 degrees C and was followed by a continuous formation/decomposition of the SEI up to 250 degrees C. Another two peaks were observed at temperatures above 250 degrees C. These peaks were attributed to the major reaction of lithiated graphite with the nonaqueous electrolyte. With the addition of lithium difluoro(oxalato)borate as an electrolyte additive, the onset temperatures of the three peaks were pushed higher, as confirmed by the activation energies obtained. C1 [Chen, Zonghai; Qin, Yan; Liu, Jun; Amine, K.] Argonne Natl Lab, Div Chem Engn, Argonne, IL 60439 USA. RP Chen, ZH (reprint author), Argonne Natl Lab, Div Chem Engn, Argonne, IL 60439 USA. EM zonghai.chen@anl.gov; amine@cmt.anl.gov RI Chen, Zonghai/K-8745-2013; Amine, Khalil/K-9344-2013 FU U. S. Department of Energy; FreedomCAR; Vehicle Technologies Office; U. S. Department of Energy by UChicago Argonne, LLC [DE-AC0Z-06CH11357] FX Research was funded by the U. S. Department of Energy, FreedomCAR and Vehicle Technologies Office. Argonne National Laboratory is operated for the U. S. Department of Energy by UChicago Argonne, LLC, under contract DE-AC0Z-06CH11357. NR 22 TC 46 Z9 47 U1 4 U2 29 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 1099-0062 J9 ELECTROCHEM SOLID ST JI Electrochem. Solid State Lett. PY 2009 VL 12 IS 4 BP A69 EP A72 DI 10.1149/1.3070581 PG 4 WC Electrochemistry; Materials Science, Multidisciplinary SC Electrochemistry; Materials Science GA 409PM UT WOS:000263518300003 ER PT J AU Oh, SW Myung, ST Bang, HJ Yoon, CS Amine, K Sun, YK AF Oh, Sung Woo Myung, Seung-Taek Bang, Hyun Joo Yoon, Chong Seung Amine, Khalil Sun, Yang-Kook TI Nanoporous Structured LiFePO4 with Spherical Microscale Particles Having High Volumetric Capacity for Lithium Batteries SO ELECTROCHEMICAL AND SOLID STATE LETTERS LA English DT Article DE carbon; coatings; electrochemical electrodes; iron compounds; lithium compounds; nanoporous materials; secondary cells ID ELECTROCHEMICAL PROPERTIES; PHOSPHO-OLIVINES; PERFORMANCE; CATHODES; IRON AB To overcome a major limitation of volumetric energy density, we prepared micrometer-sized LiFePO4 particles with a unique spongelike morphology and a high packing density. Each LiFePO4 secondary particle (6 mu m) consisted of nanoscale (200-300 nm) primary LiFePO4 particles coated with carbon and had nanoscale (100-200 nm) pores throughout. Compared with the nano-LiFePO4 positive electrode material, this carbon-impregnated, spongelike, nanoporous material resulted in a similarly high rate capability plus a 2.5 times greater volumetric energy density. C1 [Oh, Sung Woo; Bang, Hyun Joo; Sun, Yang-Kook] Hanyang Univ, Dept Chem Engn, Seoul 133791, South Korea. [Yoon, Chong Seung] Hanyang Univ, Div Mat Sci & Engn, Seoul 133791, South Korea. [Myung, Seung-Taek] Iwate Univ, Dept Chem Engn, Morioka, Iwate 0208551, Japan. [Amine, Khalil] Argonne Natl Lab, Chem Sci & Engn Div, Electrochem Technol Program, Argonne, IL 60439 USA. RP Oh, SW (reprint author), Hanyang Univ, Dept Chem Engn, Seoul 133791, South Korea. EM smyung@iwate-u.ac.jp; yksun@hanyang.ac.kr RI Sun, Yang-Kook/B-9157-2013; Amine, Khalil/K-9344-2013 OI Sun, Yang-Kook/0000-0002-0117-0170; FU Korean Institute of Energy and Resources Technology Evaluation and Planning; Korea Science and Engineering Foundation (KOSEF); Korean government (MEST) [R11-2008-088-03002-0] FX This research was supported by the Korean Institute of Energy and Resources Technology Evaluation and Planning and the Korea Science and Engineering Foundation (KOSEF) grant funded by the Korean government (MEST) (no. R11-2008-088-03002-0). NR 17 TC 56 Z9 60 U1 1 U2 34 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 1099-0062 J9 ELECTROCHEM SOLID ST JI Electrochem. Solid State Lett. PY 2009 VL 12 IS 9 BP A181 EP A185 DI 10.1149/1.3143901 PG 5 WC Electrochemistry; Materials Science, Multidisciplinary SC Electrochemistry; Materials Science GA 471NF UT WOS:000268064500003 ER PT J AU Beck, NK De Jonghe, LC AF Beck, Nina K. De Jonghe, Lutgard C. TI Proton Conduction in SnP2O7-LaP3O9 Composite Electrolytes SO ELECTROCHEMICAL AND SOLID STATE LETTERS LA English DT Article DE composite materials; electrolytes; ionic conductivity; lanthanum compounds; pressing; sintering; tin compounds ID DOPED LAP3O9; SNP2O7 AB The properties of proton-conducting composite SnP2O7 electrolytes containing LaP3O9 are reported. These electrolytes demonstrate both improved stability and enhanced proton conductivities when compared to their individual constituents. Two different methods were used to prepare samples: sintering or warm-pressing. A conductivity of 1.7x10(-4) S cm(-1) was obtained for warm-pressed SnP2O7-LaP3O9 (Sn:La, 82:18) at 350 degrees C. Under fuel cell conditions the composite with composition Sn:La, 82:18 exhibited the highest open-circuit voltage (OCV) of 0.983 V at 350 degrees C. The OCV values confirmed that the electrolytes were predominantly ionically-conducting. C1 [Beck, Nina K.; De Jonghe, Lutgard C.] Univ Calif Berkeley, Ernest Orlando Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. [De Jonghe, Lutgard C.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. RP Beck, NK (reprint author), Univ Calif Berkeley, Ernest Orlando Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM beck.nina@gmail.com; dejonghe@lbl.gov FU Director, Office of Science, Office of Basic Energy Sciences; Materials Sciences and Engineering Division; U. S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by the Director, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, U. S. Department of Energy, under contract no. DE-AC02-05CH11231. NR 10 TC 4 Z9 4 U1 0 U2 5 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 1099-0062 J9 ELECTROCHEM SOLID ST JI Electrochem. Solid State Lett. PY 2009 VL 12 IS 2 BP B11 EP B13 DI 10.1149/1.3039093 PG 3 WC Electrochemistry; Materials Science, Multidisciplinary SC Electrochemistry; Materials Science GA 383UF UT WOS:000261698500005 ER PT J AU Zhou, XD Pederson, LR Thomsen, E Nie, Z Coffey, G AF Zhou, X. -D. Pederson, L. R. Thomsen, E. Nie, Z. Coffey, G. TI Nonstoichiometry and Transport Properties of Ca3Co4 +/- xO9+delta (x=0-0.4) SO ELECTROCHEMICAL AND SOLID STATE LETTERS LA English DT Article DE calcium compounds; hole density; hole mobility; phase diagrams; Seebeck effect; thermal analysis; vacancies (crystal) ID THERMOELECTRIC-MATERIALS; MAGNETORESISTANCE; OXIDE; CU AB Nonstoichiometries of Ca3Co4O9+delta and transport properties of Ca3Co4 +/- xO9+delta were investigated. At 1100 degrees C, Ca3Co4O9+delta transformed to CaO and CoO. The reaction products offer a precise baseline for thermogravimetric analysis. At room temperature, delta in Ca3Co4O9+delta is 0.38, which decreases at T approximate to 450 degrees C, indicating the onset point of the formation of oxygen vacancies, and delta is similar to 0.20 at 900 degrees C. Correspondingly, the average Co valence state is 3.19 at room temperature and 3.10 at 900 degrees C. In contrast to conventional defect chemistry theory in p-type oxide conductors, the formation of oxygen vacancies in Ca3Co4O9+delta has a negligible impact on the carrier density of holes, indicating that oxygen vacancies and the redox couple responsible for hole carriers are in different layers. With control over the ratio of Ca/Co, the phase boundary for the misfit layered structure is between Ca3Co3.95O9+delta and Ca3Co4.05O9+delta. Beyond the phase boundary, the second phase is present, which effectively lowers the electrical conductivity while increasing the Seebeck coefficient. C1 [Zhou, X. -D.; Pederson, L. R.; Thomsen, E.; Nie, Z.; Coffey, G.] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA. RP Zhou, XD (reprint author), Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA. EM xiaodong.zhou@pnl.gov FU Laboratory Directed Research and Development Program at the Pacific Northwest National Laboratory; U. S. Department of Energy [DE-AC05-76RL01830] FX This research was supported by the Laboratory Directed Research and Development Program at the Pacific Northwest National Laboratory, a multiprogram national laboratory operated by Battelle for the U. S. Department of Energy under contract no. DE-AC05-76RL01830. Part of the support was from the U. S. Department of Energy under the High Temperature Electrochemistry Center. NR 22 TC 2 Z9 2 U1 2 U2 19 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 1099-0062 EI 1944-8775 J9 ELECTROCHEM SOLID ST JI Electrochem. Solid State Lett. PY 2009 VL 12 IS 2 BP F1 EP F3 DI 10.1149/1.3039948 PG 3 WC Electrochemistry; Materials Science, Multidisciplinary SC Electrochemistry; Materials Science GA 383UF UT WOS:000261698500011 ER PT J AU Gu, DF Zhu, MY Celler, GK Baumgart, H AF Gu, Diefeng Zhu, Mingyao Celler, George K. Baumgart, Helmut TI Size and Thickness Effect on the Local Strain Relaxation in Patterned Strained Silicon-on-Insulator SO ELECTROCHEMICAL AND SOLID STATE LETTERS LA English DT Article DE annealing; island structure; nanopatterning; semiconductor devices; semiconductor thin films; silicon-on-insulator; stress relaxation ID RAMAN-SPECTROSCOPY AB Strained silicon-on-insulator (sSOI) wafers with various strained-Si (sSi) layer thicknesses were fabricated by the Smart Cut technology. The strain relaxation by patterning into isolated sSOI device islands and high-temperature annealing is maximized in the absence of capping layers or any other precautions. No strain relaxation in unpatterned areas could be detected, and the strain relaxation of the patterned sSOI device islands occurred mainly from the edges of the device islands. The strain relaxation increases as the sSi layer thickness increases. The majority of strain was maintained for 15 nm sSOI film thickness after patterning and annealing at 900 degrees C. C1 [Gu, Diefeng; Baumgart, Helmut] Old Dominion Univ, Norfolk, VA 23529 USA. [Gu, Diefeng; Baumgart, Helmut] Old Dominion Univ, Jefferson Lab, Appl Res Ctr, Newport News, VA 23606 USA. [Zhu, Mingyao] Coll William & Mary, Dept Appl Sci, Williamsburg, VA 23187 USA. [Celler, George K.] SOITEC, Parc Technol Fontaines, F-38926 Crolles, France. RP Gu, DF (reprint author), Old Dominion Univ, Norfolk, VA 23529 USA. EM dgu@odu.edu; hbaumgar@odu.edu RI Gu, Diefeng/F-4515-2010; Celler, George/G-3346-2014 OI Celler, George/0000-0001-7871-0684 NR 13 TC 7 Z9 7 U1 0 U2 4 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 1099-0062 J9 ELECTROCHEM SOLID ST JI Electrochem. Solid State Lett. PY 2009 VL 12 IS 4 BP H113 EP H116 DI 10.1149/1.3068300 PG 4 WC Electrochemistry; Materials Science, Multidisciplinary SC Electrochemistry; Materials Science GA 409PM UT WOS:000263518300025 ER PT B AU Kelly, JJ Goods, SH AF Kelly, James J. Goods, S. H. BE Schmuki, P Virtanen, S TI X-ray Lithography Techniques, LIGA-Based Microsystem Manufacturing: The Electrochemistry of Through-Mold Deposition and Material Properties SO ELECTROCHEMISTRY AT THE NANOSCALE SE Nanostructure Science and Technology LA English DT Article; Book Chapter ID HIGH-ASPECT-RATIO; ELECTRODEPOSITED COPPER BUMPS; MICROELECTROMECHANICAL SYSTEMS; MECHANICAL-PROPERTIES; SHAPE EVOLUTION; NICKEL ELECTRODEPOSITION; SYNCHROTRON-RADIATION; CURRENT DISTRIBUTIONS; ELECTROPLATED NICKEL; MASS-TRANSFER C1 [Kelly, James J.] IBM Corp, Electrochem Proc, Albany, NY 12203 USA. [Goods, S. H.] Sandia Natl Labs, Dept 8758 MS 9402, Livermore, CA 94550 USA. RP Kelly, JJ (reprint author), IBM Corp, Electrochem Proc, 255 Fuller Rd, Albany, NY 12203 USA. EM mjklly@us.ibm.com; shgoods@sandia.gov NR 145 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES BN 978-0-387-73581-8 J9 NANOSTRUCT SCI TECHN PY 2009 BP 79 EP 138 DI 10.1007/978-0-387-73582-5_3 D2 10.1007/978-0-387-73582-5 PG 60 WC Electrochemistry; Nanoscience & Nanotechnology SC Electrochemistry; Science & Technology - Other Topics GA BKE52 UT WOS:000267890700003 ER PT J AU Zhang, HJ Yuan, XX Wen, W Zhang, DY Sun, LL Jiang, QZ Ma, ZF AF Zhang, Hui-Juan Yuan, Xianxia Wen, Wen Zhang, Dong-Yun Sun, Liangliang Jiang, Qi-Zhong Ma, Zi-Feng TI Electrochemical performance of a novel CoTETA/C catalyst for the oxygen reduction reaction SO ELECTROCHEMISTRY COMMUNICATIONS LA English DT Article DE CoTETA/C catalyst; Oxygen reduction reaction; Co triethylenetetramine chelate; PEMFCs ID PEM FUEL-CELL; ELECTROCATALYSTS; PHTHALOCYANINE; PARTICLES; PYROLYSIS; MEMBRANE AB In this communication, we report a novel CoTETA/C catalyst for the oxygen reduction reaction (ORR) which was prepared from a carbon-supported cobalt triethylenetetramine chelate, followed by heat treatment in an inert atmosphere. Electrochemical performances were measured using rotating disk electrode (RDE) technique and a PEM fuel cell test station. For a H(2)-O(2) fuel cell system, the maximum output power density reached 162 MW cm(-2) at 25 degrees C with non-humidified reaction gases. We found a nanometallic face-centered cubic (fcc) alpha-Co phase embedded in the graphitic carbon after pyrolysis, based on X-ray absorption spectroscopy (XAS) and X-ray diffraction (XRD) measurements. These results indicated that CoTETA/C is a promising catalyst for the ORR. (C) 2008 Elsevier B.V. All rights reserved. C1 [Zhang, Hui-Juan; Yuan, Xianxia; Zhang, Dong-Yun; Jiang, Qi-Zhong; Ma, Zi-Feng] Shanghai Jiao Tong Univ, Dept Chem Engn, Shanghai 200240, Peoples R China. [Wen, Wen] Brookhaven Natl Lab, Upton, NY 11973 USA. [Sun, Liangliang] Nanjing Univ Technol, Sch Chem & Chem Engn, Nanjing 210009, Peoples R China. RP Ma, ZF (reprint author), Shanghai Jiao Tong Univ, Dept Chem Engn, 800 Dongchuan Rd, Shanghai 200240, Peoples R China. EM zfma@sjtu.edu.cn RI Yuan, Xianxia/A-4256-2009 FU 863 Program [2007AA05Z145]; NSFC [20776085]; Science & Technology Commission of Shanghai [06SN07115, 07JC14024] FX This work was supported by the 863 Program (No. 2007AA05Z145), NSFC (20776085), and the Science & Technology Commission of Shanghai (06SN07115, 07JC14024). NR 15 TC 45 Z9 48 U1 1 U2 24 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 1388-2481 J9 ELECTROCHEM COMMUN JI Electrochem. Commun. PD JAN PY 2009 VL 11 IS 1 BP 206 EP 208 DI 10.1016/j.elecom.2008.11.004 PG 3 WC Electrochemistry SC Electrochemistry GA 402MQ UT WOS:000263018200054 ER PT J AU Switzer, EE Olson, TS Datye, AK Atanassov, P Hibbs, MR Cornelius, CJ AF Switzer, Elise E. Olson, Tim S. Datye, Abhaya K. Atanassov, Plamen Hibbs, Michael R. Cornelius, Christopher J. TI Templated Pt-Sn electrocatalysts for ethanol, methanol and CO oxidation in alkaline media SO ELECTROCHIMICA ACTA LA English DT Article DE Pt; Sn; Alkaline media; Anion exchange Ionomer; Ethanol ID ELECTROCHEMICAL OXIDATION; ELECTROOXIDATION; CATALYSTS; PLATINUM; PT(111) AB In this work, we have investigated an aerosol-derived templated electrocatalyst for electro-oxidation of small organic molecules in alkaline media. Templated Pt-Sn electrocatalysts are compared to templated Pt catalysts both synthesized in an aerosol synthesis technique. In this synthesis approach, mono-disperse silica nanoparticles are used to template the metallic precursors. Structural and compositional analysis of the nanostructured materials are performed by scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD) and BET surface area measurements. The aerosol-derived templated electrocatalysts are examined in conjunction with an anion exchange ionomer for ethanol, methanol and CO oxidation in alkaline media. The electrochemical studies include cyclic voltammetry, chronoamperometry and voltammetric adsorption of adsorbed CO. (c) 2008 Elsevier Ltd. All rights reserved. C1 [Switzer, Elise E.; Olson, Tim S.; Datye, Abhaya K.; Atanassov, Plamen] Univ New Mexico, Dept Chem & Nucl Engn, Albuquerque, NM 87131 USA. [Hibbs, Michael R.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Cornelius, Christopher J.] Virginia Polytech Inst & State Univ, Dept Chem Engn, Blacksburg, VA 24061 USA. RP Switzer, EE (reprint author), Univ New Mexico, Dept Chem & Nucl Engn, Farris Engn Ctr Rm 209, Albuquerque, NM 87131 USA. EM eswitzer@unm.edu RI Atanassov, Plamen/G-4616-2011; OI Datye, Abhaya/0000-0002-7126-8659 FU Sandia National Laboratories; NSF EPSCOR; NNIN; Department of Earth and Planetary Sciences FX Support for Elise Switzer in the form of a fellowship from Sandia National Laboratories is gratefully acknowledged. This work made use of the characterization facilities at UNM supported by the NSF EPSCOR and NNIN grants and the Department of Earth and Planetary Sciences. NR 24 TC 51 Z9 52 U1 3 U2 12 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0013-4686 J9 ELECTROCHIM ACTA JI Electrochim. Acta PD JAN 1 PY 2009 VL 54 IS 3 BP 989 EP 995 DI 10.1016/j.electacta.2008.08.036 PG 7 WC Electrochemistry SC Electrochemistry GA 395XU UT WOS:000262557600015 ER PT S AU Chen, SP Hawley, M Van Stockum, PB Manoharan, HC Bauer, ED AF Chen, Shao-Ping Hawley, Marilyn Van Stockum, Phil B. Manoharan, Hari C. Bauer, Eric D. BE Moeck, P Hovmoller, S Nicolopoulos, S Rouvimov, S Petkov, V Gateshki, M Fraundorf, P TI Structure of Cleaved (001) USb(2) Single Crystal SO ELECTRON CRYSTALLOGRAPHY FOR MATERIALS RESEARCH AND QUANTITATIVE CHARACTERIZATION OF NANOSTRUCTURED MATERIALS SE Materials Research Society Symposium Proceedings LA English DT Proceedings Paper CT Symposium on Electron Crystallography for Materials Research/Quantitative Characterization of Nanostructured Materials CY APR 14-16, 2009 CL San Francisco, CA SP Mat Res Soc ID SCANNING-TUNNELING-MICROSCOPY; AUGMENTED-WAVE METHOD; ELECTRONIC-STRUCTURE; SURFACES; PHOTOEMISSION; TEMPERATURE; RELAXATIONS; GROWTH; METALS; STM AB We have achieved what we believe to be the first atomic resolution STM images for a uranium compound taken at room temperature. The a, b, and c lattice parameters in the images confirm that the USb2 crystals cleave on the (001) basal plane as expected. The a and b dimensions were equal, with the atoms arranged in a cubic pattern. Our calculations indicate a symmetric cut between Sb planes to be the most favorable cleavage plane and U atoms to be responsible for most of the DOS measured by STM. Some strange features observed in the STM will be discussed in conjunction with ab initio calculations. C1 [Chen, Shao-Ping; Hawley, Marilyn; Bauer, Eric D.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Chen, SP (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RI Bauer, Eric/D-7212-2011 NR 28 TC 0 Z9 0 U1 0 U2 3 PU MATERIALS RESEARCH SOCIETY PI WARRENDALE PA 506 KEYSTONE DRIVE, WARRENDALE, PA 15088-7563 USA SN 0272-9172 BN 978-1-60511-157-5 J9 MATER RES SOC SYMP P PY 2009 VL 1184 BP 163 EP 168 PG 6 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Materials Science, Characterization & Testing SC Science & Technology - Other Topics; Materials Science GA BND16 UT WOS:000274190900019 ER PT S AU Mao, KM Rapp, JL Wiench, JW Pruski, M AF Mao, Kanmi Rapp, Jennifer L. Wiench, Jerzy W. Pruski, Marek BE Moeck, P Hovmoller, S Nicolopoulos, S Rouvimov, S Petkov, V Gateshki, M Fraundorf, P TI Characterization of Nanostructured Organic-Inorganic Hybrid Materials Using Advanced Solid-State NMR Spectroscopy SO ELECTRON CRYSTALLOGRAPHY FOR MATERIALS RESEARCH AND QUANTITATIVE CHARACTERIZATION OF NANOSTRUCTURED MATERIALS SE Materials Research Society Symposium Proceedings LA English DT Proceedings Paper CT Symposium on Electron Crystallography for Materials Research/Quantitative Characterization of Nanostructured Materials CY APR 14-16, 2009 CL San Francisco, CA SP Mat Res Soc ID FUNCTIONALIZED MESOPOROUS SILICAS; SENSITIVITY ENHANCEMENT; ROTATING SOLIDS; MAS; PROTEINS; PROTON AB We demonstrate the applications of several novel techniques in solid-state nuclear magnetic resonance spectroscopy (SSNMR) to the structural studies of mesoporous organic-inorganic hybrid catalytic materials. Most of these latest capabilities of solid-state NMR were made possible by combining fast magic angle spinning (at >= 40 kHz) with new multiple RF pulse sequences. Remarkable gains in sensitivity have been achieved in heteronuclear correlation (HETCOR) spectroscopy through the detection of high-gamma ((1)H) rather than low-gamma (e.g., (13)C, (15)N) nuclei. This so-called indirect detection technique can yield through-space 2D (13)C-(1)H HETCOR spectra of surface species under natural abundance within minutes, a result that earlier has been out of reach. The (15)N-(1)H correlation spectra of species bound to a surface can now be acquired, also without isotope enrichment. The first indirectly detected through-bond 2D (13)C-(1)H spectra of solid samples are shown, as well. In the case of 1D and 2D (29)Si NMR, the possibility of generating multiple Carr-Purcell-Meiboom-Gill (CPMG) echoes during data acquisition offered time savings by a factor of ten to one hundred. Examples of the studied materials involve mesoporous silica and mixed oxide nanoparticles functionalized with various types of organic groups, where solid-state NMR provides the definitive characterization. C1 [Mao, Kanmi; Rapp, Jennifer L.; Wiench, Jerzy W.; Pruski, Marek] Iowa State Univ, US DOE, Ames Lab, Ames, IA 50011 USA. RP Mao, KM (reprint author), Iowa State Univ, US DOE, Ames Lab, Ames, IA 50011 USA. NR 22 TC 1 Z9 1 U1 2 U2 6 PU MATERIALS RESEARCH SOCIETY PI WARRENDALE PA 506 KEYSTONE DRIVE, WARRENDALE, PA 15088-7563 USA SN 0272-9172 BN 978-1-60511-157-5 J9 MATER RES SOC SYMP P PY 2009 VL 1184 BP 175 EP 183 PG 9 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Materials Science, Characterization & Testing SC Science & Technology - Other Topics; Materials Science GA BND16 UT WOS:000274190900021 ER PT B AU Caughman, JBO Fernandez, A Cappa, A Castejon, F Rasmussen, DA Wilgen, JB AF Caughman, J. B. O. Fernandez, A. Cappa, A. Castejon, F. Rasmussen, D. A. Wilgen, J. B. BE Lohr, J TI ELECTRON BERNSTEIN WAVE EMISSION STUDIES ON THE TJ-II STELLARATOR SO ELECTRON CYCLOTRON EMISSION AND ELECTRON CYCLOTRON RESONANCE HEATING LA English DT Proceedings Paper CT 15th Workshop on Electron Cyclotron Emission and Electron Cyclotron Resonance Heating CY MAR 10-13, 2008 CL Yosemite Natl Park, CA ID PROGRESS AB Electron Bernstein Wave (EBW) heating is important for high-beta plasma experiments and will be used for heating over-dense plasmas on TJ-II. TJ-II is a medium sized Heliac operating at CIEMAT in Madrid, whose plasmas are created and heated by ECH via two 300 kW gyrotrons at second harmonic X-mode (53.2 GHz), with additional heating provided by two neutral beam injectors. Theoretical work has shown that the most suitable scheme for launching EBWs in TJ-II is O-X-B mode conversion, which has acceptable heating efficiency for central densities above 1.2 x 10(19) m(-3)[1]. A system based on a 28 GHz-100ms diode gyrotron will be used to deliver 300 kW through a corrugated waveguide. The microwave heating beam will be directed and focused by a steering mirror located inside the vacuum vessel. Prior to the heating experiments, measurement of the thermal EBW emission (EBE) from the plasma is being made to help determine the optimum launch angle for EBW mode conversion, and also to provide an indication of the electron temperature evolution in over-dense plasmas. A dual-polarized quad-ridged broadband horn is used to measure the EBW emission and polarization at 28 GHz. Initial measurements indicate that the emission in under-dense plasmas corresponds to oblique electron cyclotron emission (ECE) and then converts to EBE when the plasma becomes over-dense during neutral beam injection. C1 [Caughman, J. B. O.; Rasmussen, D. A.; Wilgen, J. B.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Caughman, JBO (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RI Caughman, John/R-4889-2016; Cappa, Alvaro/C-5614-2017; OI Caughman, John/0000-0002-0609-1164; Cappa, Alvaro/0000-0002-2250-9209; Castejon, Francisco/0000-0002-4654-0542 NR 15 TC 0 Z9 0 U1 0 U2 1 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA PO BOX 128 FARRER RD, SINGAPORE 9128, SINGAPORE BN 978-981-281-463-0 PY 2009 BP 157 EP 162 DI 10.1142/9789812814647_0020 PG 6 WC Physics, Fluids & Plasmas; Physics, Atomic, Molecular & Chemical SC Physics GA BKG18 UT WOS:000268002300020 ER PT B AU Diem, SJ Taylor, G Efthimion, PC Kugel, HW Leblanc, BP Phillips, CK Caughman, JB Wilgen, JB Harvey, RW Preinhaelter, J Urban, J Sabbagh, SA AF Diem, S. J. Taylor, G. Efthimion, P. C. Kugel, H. W. Leblanc, B. P. Phillips, C. K. Caughman, J. B. Wilgen, J. B. Harvey, R. W. Preinhaelter, J. Urban, J. Sabbagh, S. A. BE Lohr, J TI INVESTIGATION OF EBW THERMAL EMISSION AND MODE CONVERSION PHYSICS IN H-MODE PLASMAS ON NSTX SO ELECTRON CYCLOTRON EMISSION AND ELECTRON CYCLOTRON RESONANCE HEATING LA English DT Proceedings Paper CT 15th Workshop on Electron Cyclotron Emission and Electron Cyclotron Resonance Heating CY MAR 10-13, 2008 CL Yosemite Natl Park, CA ID PARAMETRIC DECAY; WAVE AB High beta plasmas in the National Spherical Torus Experiment (NSTX) operate in the overdense regime, allowing the electron Bernstein wave (EBW) to propagate and be strongly absorbed/emitted at the electron cyclotron resonances. As such, EBWs may provide local electron heating and current drive. For these applications, efficient coupling between the EBWs and electromagnetic waves outside the plasma is needed. Thermal EBW emission (EBE) measurements, via oblique B-X-O double mode conversion, have been used to determine the EBW transmission efficiency for a wide range of plasma conditions on NSTX. Initial EBE measurements in H-mode plasmas exhibited strong emission before the L-H transition, but the emission rapidly decayed after the transition. EBE simulations show that collisional damping of the EBW prior to the mode conversion (MC) layer can significantly reduce the measured EBE for T(e) < 20 eV, explaining the observations. Lithium evaporation was used to reduce EBE collisional damping near the MC layer. As a result, the measured B-X-O transmission efficiency increased from <10% (no Li) to 60% (with Li), consistent with EBE simulations. C1 [Diem, S. J.; Taylor, G.; Efthimion, P. C.; Kugel, H. W.; Leblanc, B. P.; Phillips, C. K.] Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Diem, SJ (reprint author), Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RI Preinhaelter, Josef/H-1394-2014; Urban, Jakub/B-5541-2008; Caughman, John/R-4889-2016 OI Urban, Jakub/0000-0002-1796-3597; Caughman, John/0000-0002-0609-1164 NR 9 TC 0 Z9 0 U1 0 U2 2 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA PO BOX 128 FARRER RD, SINGAPORE 9128, SINGAPORE BN 978-981-281-463-0 PY 2009 BP 226 EP 231 DI 10.1142/9789812814647_0030 PG 6 WC Physics, Fluids & Plasmas; Physics, Atomic, Molecular & Chemical SC Physics GA BKG18 UT WOS:000268002300030 ER PT B AU Caughman, JBO Rasmussen, DA Wilgen, JB Fernandez, A Cappa, A Castejon, F AF Caughman, J. B. O. Rasmussen, D. A. Wilgen, J. B. Fernandez, A. Cappa, A. Castejon, F. BE Lohr, J TI ELECTRON BERNSTEIN WAVE EMISSION STUDIES ON THE TJ-II STELLARATOR SO ELECTRON CYCLOTRON EMISSION AND ELECTRON CYCLOTRON RESONANCE HEATING LA English DT Proceedings Paper CT 15th Workshop on Electron Cyclotron Emission and Electron Cyclotron Resonance Heating CY MAR 10-13, 2008 CL Yosemite Natl Park, CA ID MODE AB Electron Bernstein Wave (EBW) heating is important for high-beta plasma experiments and will be used for heating over-dense plasmas on TJ-II. TJ-II is a medium sized Heliac operating at CIEMAT in Madrid, whose plasmas are created and heated by ECH via two 300 kW gyrotrons at second harmonic X-mode (53.2 GHz), with additional heating provided by two neutral beam injectors. Theoretical work has shown that the most suitable scheme for launching EBWs in TJ-II is O-X-B mode conversion, which has acceptable heating efficiency for central densities above 1.2x10(19) m(-3) [1]. A system based on a 28 GHz-100 ms diode gyrotron will be used to deliver 300 kW through a corrugated waveguide. The microwave-heating beam will be directed and focused by a steering mirror located inside the vacuum vessel. Prior to the heating experiments, measurement of the thermal EBW emission (EBE) from the plasma is being made to help determine the optimum launch angle for EBW mode conversion, and also to provide an indication of the electron temperature evolution in over-dense plasmas. A dual-polarized quad-ridged broadband horn is used to measure the EBW emission and polarization at 28 GHz. Initial measurements indicate that the emission in under-dense plasmas corresponds to oblique electron cyclotron emission (ECE) and then converts to EBE when the plasma becomes over-dense during neutral beam injection. C1 [Caughman, J. B. O.; Rasmussen, D. A.; Wilgen, J. B.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Caughman, JBO (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RI Caughman, John/R-4889-2016; Cappa, Alvaro/C-5614-2017; OI Caughman, John/0000-0002-0609-1164; Cappa, Alvaro/0000-0002-2250-9209; Castejon, Francisco/0000-0002-4654-0542 NR 7 TC 0 Z9 0 U1 0 U2 0 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA PO BOX 128 FARRER RD, SINGAPORE 9128, SINGAPORE BN 978-981-281-463-0 PY 2009 BP 232 EP 237 DI 10.1142/9789812814647_0031 PG 6 WC Physics, Fluids & Plasmas; Physics, Atomic, Molecular & Chemical SC Physics GA BKG18 UT WOS:000268002300031 ER PT B AU Budny, RV Kessel, CE Indireshkumar, K AF Budny, R. V. Kessel, C. E. Indireshkumar, K. BE Lohr, J TI PREDICTIONS OF ELECTRON CYCLOTRON CURRENT DRIVE AND HEATING IN ITER SO ELECTRON CYCLOTRON EMISSION AND ELECTRON CYCLOTRON RESONANCE HEATING LA English DT Proceedings Paper CT 15th Workshop on Electron Cyclotron Emission and Electron Cyclotron Resonance Heating CY MAR 10-13, 2008 CL Yosemite Natl Park, CA DE ITER; PTRANSP; TORAY; ECCD; ECH; H-mode; Hybrid AB The TORAY module in PTRANSP is used to generate self-consistent, time-evolving predictions of electron cyclotron current drive and heating in H-mode and Hybrid ITER plasmas. Various scenarios for steering midplane and upper launching antenna are considered. Electron cyclotron current drive (ECCD) is deposition beyond r/a similar or equal to 0.3 can delay the decrease of the central safety factor in Hybrid plasmas below unity, maintaining q(0) above unity for long durations. C1 [Budny, R. V.; Kessel, C. E.; Indireshkumar, K.] Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Budny, RV (reprint author), Princeton Univ, Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. EM budny@princeton.edu NR 9 TC 0 Z9 0 U1 0 U2 0 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA PO BOX 128 FARRER RD, SINGAPORE 9128, SINGAPORE BN 978-981-281-463-0 PY 2009 BP 369 EP 375 DI 10.1142/9789812814647_0051 PG 7 WC Physics, Fluids & Plasmas; Physics, Atomic, Molecular & Chemical SC Physics GA BKG18 UT WOS:000268002300051 ER PT B AU Taylor, G Diem, SJ Ellis, RA Fredd, E Greenough, N Hosea, JC Bigelow, TS Caughman, JB Rasmussen, DA Ryan, P Wilgen, JB Harvey, RW Smirnov, AP Preinhaelter, J Urban, J Ram, AK AF Taylor, G. Diem, S. J. Ellis, R. A. Fredd, E. Greenough, N. Hosea, J. C. Bigelow, T. S. Caughman, J. B. Rasmussen, D. A. Ryan, P. Wilgen, J. B. Harvey, R. W. Smirnov, A. P. Preinhaelter, J. Urban, J. Ram, A. K. BE Lohr, J TI MODELING RESULTS FOR PROPOSED NSTX 28 GHZ ECH/EBWH SYSTEM SO ELECTRON CYCLOTRON EMISSION AND ELECTRON CYCLOTRON RESONANCE HEATING LA English DT Proceedings Paper CT 15th Workshop on Electron Cyclotron Emission and Electron Cyclotron Resonance Heating CY MAR 10-13, 2008 CL Yosemite Natl Park, CA ID ELECTRON BERNSTEIN WAVES; PLASMA; EXPLORATION AB A 28 GHz electron cyclotron heating (ECH) and electron Bernstein wave heating (EBWH) system has been proposed for installation on the National Spherical Torus Experiment (NSTX). A 350 kW gyrotron connected to a fixed horn antenna is proposed for ECH-assisted solenoid-free plasma startup. Modeling predicts strong first pass on-axis EC absorption, even for low electron temperature, T(e) similar to 20 eV, Coaxial Helicity Injection (CHI) startup plasmas. ECH will heat the CHI plasma to T(e) similar to 300 eV, providing a suitable target plasma for 30 MHz high-harmonic fast wave heating. A second gyrotron and steered O-X-B mirror launcher is proposed for EBWH experiments. Radiometric measurements of thermal EBW emission detected via B-X-O coupling on NSTX support implementation of the proposed system. 80% B-X-O coupling efficiency was measured in L-mode plasmas and 60% B-X-O coupling efficiency was recently measured in H-mode plasmas conditioned with evaporated lithium. Modeling predicts local on-axis EBW heating and current drive using 28 GHz power in beta similar to 20% NSTX plasmas should be possible, with current drive efficiencies similar to 40 kA/MW. C1 [Taylor, G.; Diem, S. J.; Ellis, R. A.; Fredd, E.; Greenough, N.; Hosea, J. C.] Princeton Univ, Plasma Phys Lab, Princeton, NJ 08543 USA. RP Taylor, G (reprint author), Princeton Univ, Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. RI Smirnov, Alexander /A-4886-2014; Preinhaelter, Josef/H-1394-2014; Urban, Jakub/B-5541-2008; Caughman, John/R-4889-2016 OI Urban, Jakub/0000-0002-1796-3597; Caughman, John/0000-0002-0609-1164 NR 19 TC 0 Z9 0 U1 0 U2 0 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA PO BOX 128 FARRER RD, SINGAPORE 9128, SINGAPORE BN 978-981-281-463-0 PY 2009 BP 509 EP 514 DI 10.1142/9789812814647_0073 PG 6 WC Physics, Fluids & Plasmas; Physics, Atomic, Molecular & Chemical SC Physics GA BKG18 UT WOS:000268002300073 ER PT J AU Elman, HC Tuminaro, RS AF Elman, Howard C. Tuminaro, Ray S. TI BOUNDARY CONDITIONS IN APPROXIMATE COMMUTATOR PRECONDITIONERS FOR THE NAVIER-STOKES EQUATIONS SO ELECTRONIC TRANSACTIONS ON NUMERICAL ANALYSIS LA English DT Article DE boundary conditions; commutators; preconditioners; Navier-Stokes equations ID BLOCK PRECONDITIONERS; INCOMPRESSIBLE-FLOW; NUMERICAL-SOLUTION; SYSTEMS AB Boundary conditions are analyzed for a class of preconditioners used for the incompressible Navier-Stokes equations. We consider pressure convection-diffusion preconditioners [SIAM J. Sci. Comput., 24 (2002), pp. 237-256] and [J. Comput. Appl. Math., 128 (2001), pp. 261-279] as well as least-square commutator methods [SIAM J. Sci. Comput., 30 (2007), pp. 290-311] and [SIAM J. Sci. Comput., 27 (2006), pp. 1651-1668], both of which rely on commutators of certain differential operators. The effectiveness of these methods has been demonstrated in various studies, but both methods also have some deficiencies. For example, the pressure convection-diffusion preconditioner requires the construction of a Laplace and a convection-diffusion operator, together with some choices of boundary conditions. These boundary conditions are not well understood, and a poor choice can critically affect performance. This paper looks closely at properties of commutators near domain boundaries. We show that it is sometimes possible to choose boundary conditions to force the commutators of interest to be zero at boundaries, and this leads to a new strategy for choosing boundary conditions for the purpose of specifying preconditioning operators. With the new preconditioners, Krylov subspace methods display noticeably improved performance for solving the Navier-Stokes equations; in particular, mesh-independent convergence rates are observed for some problems for which previous versions of the methods did not exhibit this behavior. C1 [Elman, Howard C.] Univ Maryland, Dept Comp Sci, College Pk, MD 20742 USA. [Tuminaro, Ray S.] Sandia Natl Labs, Livermore, CA 94551 USA. [Elman, Howard C.] Univ Maryland, Inst Adv Comp Studies, College Pk, MD 20742 USA. RP Elman, HC (reprint author), Univ Maryland, Dept Comp Sci, College Pk, MD 20742 USA. EM elman@cs.umd.edu; rstumin@sandia.gov RI Elman, Howard/F-6517-2011 OI Elman, Howard/0000-0002-8886-9901 FU U. S. Department of Energy [DEFG0204ER25619]; U. S. National Science Foundation [CCF0726017]; DOE Office FX The work of this author was supported by the U. S. Department of Energy under grant DEFG0204ER25619 and by the U. S. National Science Foundation under grant CCF0726017.; This author was supported in part by the DOE Office of Science ASCR Applied Math Research program. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 17 TC 24 Z9 24 U1 0 U2 1 PU KENT STATE UNIVERSITY PI KENT PA ETNA, DEPT MATHEMATICS & COMPUTER SCIENCE, KENT, OH 44242-0001 USA SN 1068-9613 J9 ELECTRON T NUMER ANA JI Electron. Trans. Numer. Anal. PY 2009 VL 35 BP 257 EP 280 PG 24 WC Mathematics, Applied SC Mathematics GA 546TD UT WOS:000273833900016 ER PT J AU Hersee, SD Fairchild, M Rishinaramangalam, AK Ferdous, MS Zhang, L Varangis, PM Swartzentruber, BS Talin, AA AF Hersee, S. D. Fairchild, M. Rishinaramangalam, A. K. Ferdous, M. S. Zhang, L. Varangis, P. M. Swartzentruber, B. S. Talin, A. A. TI GaN nanowire light emitting diodes based on templated and scalable nanowire growth process SO ELECTRONICS LETTERS LA English DT Article AB GaN optoelectronic devices based on nanowires offer potential advantages that merit further investigation for applications in solid-state lighting and displays. Reported is the operation GaN nanowire, light-emitting diodes that are based on a uniform and scalable nanowire process. For light-emitting diodes consisting of approximately 300 nanowire pn homojunctions, operating in parallel, the electroluminescence intensity was found to grow superlinearly with current. For individual nanowire light-emitting diodes the forward and reverse leakage current was < 1 pA. The low leakage current of individual light-emitting nanowire diodes indicates that surface effects do not dominate the electrical behaviour of these LEDs. C1 [Hersee, S. D.; Fairchild, M.; Rishinaramangalam, A. K.; Ferdous, M. S.] Univ New Mexico, Ctr High Technol Mat, Albuquerque, NM 87131 USA. [Swartzentruber, B. S.; Talin, A. A.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Swartzentruber, B. S.; Talin, A. A.] Ctr Integrated Nanotechnol, Albuquerque, NM USA. RP Hersee, SD (reprint author), Univ New Mexico, Ctr High Technol Mat, 1313 Goddard SE, Albuquerque, NM 87131 USA. EM shersee@chtm.unm.edu FU DARPA; AFOSR; DOE; Department of Energy [DEAC01-94-AL85000]; Los Alamos National Laboratory [DE-AC52-06NA25396]; Sandia National Laboratories [DE-AC04-94AL85000] FX The authors acknowledge support for this research by DARPA, AFOSR and DOE. Sandia is a multiprogramme laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under contract no. DEAC01-94-AL85000. Work performed in part at the US Department of Energy, Center for Integrated Nanotechnologies, at Los Alamos National Laboratory ( contract no. DE-AC52-06NA25396) and Sandia National Laboratories ( contract no. DE-AC04-94AL85000). NR 9 TC 51 Z9 51 U1 1 U2 31 PU INST ENGINEERING TECHNOLOGY-IET PI HERTFORD PA MICHAEL FARADAY HOUSE SIX HILLS WAY STEVENAGE, HERTFORD SG1 2AY, ENGLAND SN 0013-5194 J9 ELECTRON LETT JI Electron. Lett. PD JAN 1 PY 2009 VL 45 IS 1 BP 75 EP U24 DI 10.1049/el:20092391 PG 2 WC Engineering, Electrical & Electronic SC Engineering GA 391YW UT WOS:000262271100049 ER PT S AU Park, JH Hong, DS Kim, JT Koo, KY Yun, CB Park, G AF Park, Jae-Hyung Hong, Dong-Soo Kim, Jeong-Tae Koo, Ki-Young Yun, Chung-Bang Park, Gyuhae BE Vincenzini, P Casciati, F TI Wireless Sensing and Embedded Monitoring Algorithm for Damage Diagnosis in PSC Girders SO EMBODING INTELLIGENCE IN STRUCTURES AND INTEGRATED SYSTEMS SE Advances in Science and Technology LA English DT Proceedings Paper CT 3rd International Conference on Smart Materials, Structures and Systems CY JUN 08-13, 2008 CL Acireale, ITALY DE Wireless sensing; embedded algorithm; damage monitoring; damage diagnosis; prestressed concrete girder ID IDENTIFICATION; FREQUENCY AB In this study, a hybrid health monitoring technique that combines wireless sensing and embedded monitoring algorithms is proposed to realize the diagnosis of damage in PSC girder bridges. Firstly, a hybrid damage monitoring system that can alarm damage occurrence and classify damage-types is designed for PSC girder bridges. Secondly, smart sensor nodes that have wireless, stand-alone, sensing and monitoring capacities of acceleration and impedance are developed for hybrid health monitoring of the structures. Finally, the performance of the smart sensor nodes is evaluated using a laboratory-scale PSC girder bridge model for which acceleration and impedance signals were measured for prestress-loss and stiffness-loss cases. C1 [Park, Jae-Hyung; Hong, Dong-Soo; Kim, Jeong-Tae] Pukyong Natl Univ, Dept Ocean Engn, 599-1 Daeyeon 3Dong, Pusan 608737, South Korea. [Koo, Ki-Young; Yun, Chung-Bang] Korea Adv Inst Sci & Technol, Dept Civil & Environm Engn, Daejeon 350701, South Korea. [Park, Gyuhae] Los Alamos Natl Lab, Los Alamos, NM 87544 USA. RP Park, JH (reprint author), Pukyong Natl Univ, Dept Ocean Engn, 599-1 Daeyeon 3Dong, Pusan 608737, South Korea. EM cross96@pknu.ac.kr; king2532@pknu.ac.kr; idis@pknu.ac.kr; kykoo@pknu.ac.kr; ycb@kaist.ac.kr; gpark@lanl.gov NR 9 TC 0 Z9 0 U1 0 U2 0 PU TRANS TECH PUBLICATIONS LTD PI DURNTEN-ZURICH PA KREUZSTRASSE 10, 8635 DURNTEN-ZURICH, SWITZERLAND SN 1662-0356 BN 978-3-908158-22-6 J9 ADV SCI TECH PY 2009 VL 56 BP 420 EP + PG 2 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Engineering; Science & Technology - Other Topics; Materials Science GA BJD46 UT WOS:000265014200058 ER PT S AU Love, SP AF Love, Steven P. BE Hornbeck, LJ Douglass, MR TI Programmable matched filter and Hadamard transform hyperspectral imagers based on micro-mirror arrays SO EMERGING DIGITAL MICROMIRROR DEVICE BASED SYSTEMS AND APPLICATIONS SE Proceedings of SPIE-The International Society for Optical Engineering LA English DT Proceedings Paper CT Conference on Emerging Digital Micromirror Device Based Systems and Applications CY JAN 28, 2009 CL San Jose, CA SP SPIE, Texas Instruments Inc, NanoInk Inc, Boston Univ, Photon Ctr, Ozen Engn Inc DE Hadamard transform; micro-mirror array; DLP; hyperspectral; MEMS; programmable filter ID SPECTROMETER AB Hyperspectral imaging (HSI), in which each pixel contains a high-resolution spectrum, is a powerful technique that can remotely detect, identify, and quantify a multitude of materials and chemicals. The advent of addressable micro-mirror arrays (MMAs) makes possible a new class of programmable hyperspectral imagers that can perform key spectral processing functions directly in the optical hardware, thus alleviating some of HSI's high computational overhead, as well as offering improved signal-to-noise in certain important regimes (e.g. when using uncooled infrared detectors). We have built and demonstrated a prototype UV-Visible micro-mirror hyperspectral imager that is capable not only of matched-filter imaging, but also of full hyperspectral imagery via the Hadamard transform technique. With this instrument, one can upload a chemical-specific spectral matched filter directly to the MMA, producing an image showing the location of that chemical without further processing. Target chemicals are changeable nearly instantaneously simply by uploading new matched-filter patterns to the MMA. Alternatively, the MMA can implement Hadamard mask functions, yielding a full-spectrum hyperspectral image upon inverting the transform. In either case, the instrument can produce the 2D spatial image either by an internal scan, using the MMA itself, or with a traditional external push-broom scan. The various modes of operation are selectable simply by varying the software driving the MMA. Here the design and performance of the prototype is discussed, along with experimental results confirming the signal-to-noise improvement produced by the Hadamard technique in the noisy-detector regime. C1 Los Alamos Natl Lab, Space & Remote Sensing Sci Grp ISR 2, Los Alamos, NM 87545 USA. RP Love, SP (reprint author), Los Alamos Natl Lab, Space & Remote Sensing Sci Grp ISR 2, POB 1663, Los Alamos, NM 87545 USA. EM splove@lanl.gov OI Love, Steven/0000-0003-0588-9622 NR 5 TC 16 Z9 16 U1 1 U2 7 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-7456-8 J9 P SOC PHOTO-OPT INS PY 2009 VL 7210 AR 721007 DI 10.1117/12.808060 PG 15 WC Engineering, Biomedical; Nanoscience & Nanotechnology; Microscopy; Optics SC Engineering; Science & Technology - Other Topics; Microscopy; Optics GA BST64 UT WOS:000285748500006 ER PT B AU Mansoori, GA George, TF Zhang, GP Assoufid, L AF Mansoori, G. Ali George, Thomas F. Zhang, Guoping Assoufid, Lahsen BE Carlson, ED TI STRUCTURE AND OPTO-ELECTRONIC BEHAVIOR OF DIAMONDOIDS, WITH APPLICATIONS AS MEMS AND AT THE NANOSCALE LEVEL SO ENCYCLOPEDIA OF NANOTECHNOLOGY, VOLS 1 AND 2 LA English DT Article; Book Chapter ID COORDINATION NETWORKS; AB-INITIO; ADAMANTANE; NANOTECHNOLOGY; HYDROCARBONS; SIMULATIONS; MOLECULES; DESIGN; LIQUID; MODEL AB Diamondoids have been of great interest in recent years due to their role in nanotechnology, drug-delivery and medicine. Due to their six or more linking groups, they have found major applications as templates and as molecular building blocks in nanotechnology, polymers synthesis, drug delivery, drug targeting, DNA-directed assembly, DNA-amino acid nanostructure formation, and in host-guest chemistry. In this paper, the molecular nature of diamondoids, their molecular specificities, their intermolecular interactions and their opto-electronic properties are introduced. These will help in the understanding of the structure-property relations and self-assembly of diamondoids, which is essential for designing functional molecular gears for microelectro-mechanical systems (MEMS) and sensitive bionanosensors, and for developing new nanodrugs, just to name a few. C1 [Mansoori, G. Ali] Univ Illinois, Dept Bio, Chicago, IL 60612 USA. [Mansoori, G. Ali] Univ Illinois, Dept Chem Engn, Chicago, IL 60612 USA. [George, Thomas F.] Univ Missouri, Dept Chem & Biochem, Off Chancellor, St Louis, MO 63121 USA. [George, Thomas F.] Univ Missouri, Dept Phys & Astron, Off Chancellor, St Louis, MO 63121 USA. [George, Thomas F.] Univ Missouri, Dept Phys & Astron, Ctr Mol Elect, St Louis, MO 63121 USA. [George, Thomas F.] Univ Missouri, Dept Chem & Biochem, Ctr Mol Elect, St Louis, MO 63121 USA. [Zhang, Guoping] Indiana State Univ, Dept Phys, Terre Haute, IN 47809 USA. [Assoufid, Lahsen] Argonne Natl Lab, Argonne, IL 60439 USA. RP Mansoori, GA (reprint author), Univ Illinois, Dept Bio, Chicago, IL 60612 USA. NR 93 TC 2 Z9 2 U1 0 U2 1 PU NOVA SCIENCE PUBLISHERS, INC PI HAUPPAUGE PA 400 OSER AVE, STE 1600, HAUPPAUGE, NY 11788-3635 USA BN 978-1-60692-079-4 PY 2009 BP 527 EP 545 PG 19 WC Nanoscience & Nanotechnology SC Science & Technology - Other Topics GA BLV67 UT WOS:000271185800018 ER PT J AU Calvin, K Patel, P Fawcett, A Clarke, L Fisher-Vanden, K Edmonds, J Kim, SH Sands, R Wise, M AF Calvin, Katherine Patel, Pralit Fawcett, Allen Clarke, Leon Fisher-Vanden, Karen Edmonds, Jae Kim, Son H. Sands, Ron Wise, Marshall TI The distribution and magnitude of emissions mitigation costs in climate stabilization under less than perfect international cooperation: SGM results SO ENERGY ECONOMICS LA English DT Article DE Climate change; Emissions mitigation; CGE models; Leakage ID CARBON LEAKAGE; CO2 CONCENTRATIONS; REGIMES; TRADE AB The EMF22 Transition Scenario subgroup explores the implications of delayed accession on limiting climate change to various radiative forcing levels. This paper focuses on the cost of limiting radiative forcing and the role that industrial leakage plays in scenarios of delayed accession. We find that delayed participation shifts the cost burden toward regions that take early action and away from regions that undertake mitigation later. However, the inefficiencies introduced by delay are so great that present discounted costs are higher in the delayed scenario for regions that delay as well as for regions taking early actions. An important element of these inefficiencies is industrial emissions leakage, that is non-participating regions increase then-emissions relative to the reference case. In aggregate, industrial leakage rates are less than 10% if all regions of the world begin emissions mitigation by 2050-higher in carbon-intensive sectors and lower in low-carbon-intensity sectors. Additionally, we consider the implication of technology on carbon prices, the feasibility of limiting radiative forcing to low levels, and the incentives to overshoot the radiative forcing limit. (C) 2009 Elsevier B.V. All rights reserved. C1 [Calvin, Katherine; Clarke, Leon; Edmonds, Jae; Kim, Son H.; Wise, Marshall] Univ Maryland, JGCRI, Pacific NW Natl Lab, College Pk, MD 20740 USA. [Fisher-Vanden, Karen] Penn State Univ, University Pk, PA 16802 USA. RP Calvin, K (reprint author), Univ Maryland, JGCRI, Pacific NW Natl Lab, 5825 Univ Res Court,Suite 3500, College Pk, MD 20740 USA. EM katherine.calvin@pnl.gov OI Calvin, Katherine/0000-0003-2191-4189 NR 31 TC 26 Z9 26 U1 1 U2 11 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0140-9883 J9 ENERG ECON JI Energy Econ. PY 2009 VL 31 BP S187 EP S197 DI 10.1016/j.eneco.2009.06.014 PG 11 WC Economics SC Business & Economics GA 540YS UT WOS:000273377900012 ER PT J AU Calvin, K Edmonds, J Bond-Lamberty, B Clarke, L Kim, SH Kyle, P Smith, SJ Thomson, A Wise, M AF Calvin, Katherine Edmonds, James Bond-Lamberty, Ben Clarke, Leon Kim, Son H. Kyle, Page Smith, Steven J. Thomson, Allison Wise, Marshall TI 2.6: Limiting, climate change to 450 ppm CO2 equivalent in the 21st century SO ENERGY ECONOMICS LA English DT Article DE EMF22; Climate change; Energy; Land use; 450 ppm AB The EMF 22 subgroup on Transition Scenarios explores a rich suite of potential future worlds in which climate change is limited to a variety of alternative radiative forcing levels. This paper focuses primarily on the requirements to limit radiative forcing from Kyoto gases to 2.6 W/m(2). Given that we estimate year 2005 radiative forcing to be 2.4 W/m(2), the 2.6 W/m(2) limit creates a non-trivial constraint. Allowing radiative forcing to exceed the long-term target level provides greater latitude in achieving the goal, but implies major changes to both global energy and land-Use systems in the near term as well as the long term. In addition, delay on the part of major emitting parties creates potential "leakage" in both energy and land use. We estimate the challenging near-term and long-term deployment of new wind power, nuclear power and CO2 capture and storage associated with the 2.6 W/m(2) limit. (C) 2009 Elsevier B.V. All rights reserved. C1 [Calvin, Katherine; Edmonds, James; Bond-Lamberty, Ben; Clarke, Leon; Kim, Son H.; Kyle, Page; Smith, Steven J.; Thomson, Allison; Wise, Marshall] Univ Maryland, JGCRI, Pacific NW Natl Lab, College Pk, MD 20740 USA. RP Edmonds, J (reprint author), Univ Maryland, JGCRI, Pacific NW Natl Lab, 5825 Univ Res Court,Suite 3500, College Pk, MD 20740 USA. EM jae@pnl.gov RI Thomson, Allison/B-1254-2010; Bond-Lamberty, Ben/C-6058-2008; OI Bond-Lamberty, Ben/0000-0001-9525-4633; Calvin, Katherine/0000-0003-2191-4189 NR 13 TC 59 Z9 61 U1 1 U2 22 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0140-9883 J9 ENERG ECON JI Energy Econ. PY 2009 VL 31 SU 2 BP S107 EP S120 DI 10.1016/j.eneco.2009.06.006 PG 14 WC Economics SC Business & Economics GA 540YS UT WOS:000273377900005 ER PT J AU Clarke, L Edmonds, J Krey, V Richels, R Rose, S Tavoni, M AF Clarke, Leon Edmonds, Jae Krey, Volker Richels, Richard Rose, Steven Tavoni, Massimo TI International climate policy architectures: Overview of the EMF 22 International Scenarios SO ENERGY ECONOMICS LA English DT Article DE Climate Change; Scenarios; Stabilization; International Participation; Overshoot ID EMISSIONS; TARGETS; COSTS AB This paper presents an overview of the study design for, and the results of, the EMF 22 International Scenarios. The EMF 22 International Scenarios engaged ten of the world's leading integrated assessment (IA) models to focus on the combined implications of three factors integral to international climate negotiations: (1) the long-term climate-related target, expressed in this study in terms of the CO2-equivalent (CO2-e) concentration associated with the GHGs regulated under the Kyoto Protocol, (2) whether or not this target can be temporarily exceeded prior to 2100 ("overshoot") allowing for greater near-term flexibility, and (3) the nature of international participation in emissions mitigation. The EMF 22 International Scenarios are based on combinations of these dimensions, embodied in ten specific climate-action cases that all modeling groups in the study attempted to represent. (C) 2009 Elsevier B.V. All rights reserved. C1 [Clarke, Leon; Edmonds, Jae] Univ Maryland, JGCRI, Pacific NW Natl Lab, College Pk, MD 20742 USA. [Tavoni, Massimo] Princeton Univ, Princeton Environm Inst, Princeton, NJ 08544 USA. RP Clarke, L (reprint author), Univ Maryland, JGCRI, Pacific NW Natl Lab, College Pk, MD 20742 USA. EM leon.clarke@pnl.gov NR 35 TC 219 Z9 220 U1 1 U2 27 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0140-9883 EI 1873-6181 J9 ENERG ECON JI Energy Econ. PY 2009 VL 31 SU 2 BP S64 EP S81 DI 10.1016/j.eneco.2009.10.013 PG 18 WC Economics SC Business & Economics GA 540YS UT WOS:000273377900002 ER PT J AU Clarke, L Weyant, J AF Clarke, Leon Weyant, John TI Introduction to the EMF 22 special issue on climate change control scenarios SO ENERGY ECONOMICS LA English DT Editorial Material C1 [Clarke, Leon] Univ Maryland, JGCRI, Pacific NW Natl Lab, College Pk, MD 20742 USA. [Weyant, John] Stanford Univ, Stanford, CA 94305 USA. RP Clarke, L (reprint author), Univ Maryland, JGCRI, Pacific NW Natl Lab, College Pk, MD 20742 USA. EM leon.clarke@pnl.gov NR 0 TC 18 Z9 18 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0140-9883 J9 ENERG ECON JI Energy Econ. PY 2009 VL 31 BP S63 EP S63 DI 10.1016/j.eneco.2009.10.014 PG 1 WC Economics SC Business & Economics GA 540YS UT WOS:000273377900001 ER PT J AU Fawcett, AA Calvin, KV de la Chesnaye, FC Reilly, JM Weyant, JP AF Fawcett, Allen A. Calvin, Katherine V. de la Chesnaye, Francisco C. Reilly, John M. Weyant, John P. TI Overview of EMF 22 US transition scenarios SO ENERGY ECONOMICS LA English DT Article DE Climate Policy; Cap-and-Trade; EMF AB The Energy Modeling Forum 22 study included a set of U.S. transition scenarios designed to bracket a range of potential U.S. climate policy goals. Models from the six teams that participated in this part of the study include models that have been prominently involved in analyzing proposed U.S. climate legislation, as well as models that have been involved in the Climate Change Science Program and other parts of this EMF 22 study. This paper presents an overview of the results from the U.S. transition scenarios, and provides insights into the comparison of results from the participating models. (C) 2009 Elsevier B.V. All rights reserved. C1 [Calvin, Katherine V.] Univ Maryland, JGCRI, Pacific NW Natl Lab, College Pk, MD 20742 USA. [Reilly, John M.] MIT, Cambridge, MA 02139 USA. [Weyant, John P.] Stanford Univ, Stanford, CA 94305 USA. RP Calvin, KV (reprint author), Univ Maryland, JGCRI, Pacific NW Natl Lab, College Pk, MD 20742 USA. EM katherine.calvin@pnl.gov OI Calvin, Katherine/0000-0003-2191-4189 NR 13 TC 23 Z9 23 U1 1 U2 5 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0140-9883 EI 1873-6181 J9 ENERG ECON JI Energy Econ. PY 2009 VL 31 SU 2 BP S198 EP S211 DI 10.1016/j.eneco.2009.10.015 PG 14 WC Economics SC Business & Economics GA 540YS UT WOS:000273377900013 ER PT J AU Kyle, P Clarke, L Pugh, G Wise, M Calvin, K Edmonds, J Kim, S AF Kyle, Page Clarke, Leon Pugh, Graham Wise, Marshall Calvin, Kate Edmonds, James Kim, Son TI The value of advanced technology in meeting 2050 greenhouse gas emissions targets in the United States SO ENERGY ECONOMICS LA English DT Article DE Climate change; Mitigation; Value of technology; Energy efficiency; Renewable energy; Carbon capture and storage; Nuclear energy ID CO2 CONCENTRATIONS AB This paper, a contribution to the EMF 22 subgroup on Transition Scenarios, examines the relationship between technology evolution over the next 40 years and the cost, energy, and greenhouse gas emissions consequences of possible U.S. mitigation goals. The paper explores these issues within the context of cumulative emissions targets based on linear reductions in CO(2)-e emissions of 50% and 80% below 1990 levels by 2050. Six technology futures were constructed within the MiniCAM integrated assessment model and then applied to the emissions targets. The paper explores the influence of technology availability and expectations of future technology availability on the economic consequences of emissions mitigation, on the time path of emissions mitigation, and on the evolution of the U.S. energy system over time. One of the strongest themes to emerge from the scenarios in this study is that near-term decision-making depends on the availability of technology decades into the future, when deep emissions reductions are required to meet the cumulative emissions goals. In the scenarios in this paper, it is the expectations about future technology that have the most dramatic effect on greenhouse gas emissions prices and emissions reductions in 2020, as opposed to near-term technology availability. Moreover, it is the nature of technology 20, 30, and 40 years out, rather than availability and deployment of technology in the next decade, that will largely determine the character of the mid-century energy system. (C) 2009 Elsevier B.V. All rights reserved. C1 [Kyle, Page; Clarke, Leon; Wise, Marshall; Calvin, Kate; Edmonds, James; Kim, Son] Pacific NW Natl Lab, Joint Global Change Res Inst, College Pk, MD 20740 USA. [Pugh, Graham] US DOE, US Climate Change Technol Program, Washington, DC 20585 USA. RP Kyle, P (reprint author), Pacific NW Natl Lab, Joint Global Change Res Inst, 5825 Univ Res Ct,Ste 3500, College Pk, MD 20740 USA. EM pkyle@pnl.gov OI Calvin, Katherine/0000-0003-2191-4189 NR 27 TC 11 Z9 11 U1 1 U2 8 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0140-9883 J9 ENERG ECON JI Energy Econ. PY 2009 VL 31 BP S254 EP S267 DI 10.1016/j.eneco.2009.09.008 PG 14 WC Economics SC Business & Economics GA 540YS UT WOS:000273377900018 ER PT J AU Zhang, YHP AF Zhang, Y. -H. Percival TI A sweet out-of-the-box solution to the hydrogen economy: is the sugar-powered car science fiction? SO ENERGY & ENVIRONMENTAL SCIENCE LA English DT Review ID BIOMASS-DERIVED HYDROCARBONS; CLOSTRIDIUM-THERMOCELLUM; BIOFUEL CELLS; FUEL-CELL; DIRECTED EVOLUTION; HYPERTHERMOPHILIC ENZYMES; OXYGENATED HYDROCARBONS; COFACTOR REGENERATION; CELLULOSE UTILIZATION; ENZYMATIC-HYDROLYSIS AB The hydrogen economy presents a compelling future energy picture, especially for the transportation sector. The obstacles, such as low-cost hydrogen production, lack of high-density hydrogen storage approaches, costly infrastructure, and safety concerns are prohibiting its large-scale implementation. To address the above challenges, we propose a new solution - use of starch or cellulose (C(6)H(10)O(5)) from biomass as a hydrogen carrier. This new solution is based on the invention of complete conversion of glucans ( starch and cellulose) and water to hydrogen and carbon dioxide as C(6)H(10)O(5) (aq) + 7H(2)O (1) -> 12H(2) (g) + 6CO(2) (g). The production of hydrogen from carbohydrates is a nearly carbon-neutral process based on the whole carbon cycle. The use of low-cost renewable carbohydrate as a high hydrogen density carrier (14.8 H(2) mass %) may solve problems such as hydrogen production, storage and distribution, as well as address safety concerns. Increasing hydrogen generation rate (power density) and decreasing costs are two major tasks prior to this technology's wide implementation. Analysis based on past scientific knowledge and technical achievements suggests that sugar-powered vehicles could become real in the future with intensive R&D efforts. Here we are calling for international R&D collaborations to pursue the holy grail of the carbohydrate hydrogen economy. C1 [Zhang, Y. -H. Percival] Virginia Polytech Inst & State Univ, Dept Biol Syst Engn, Blacksburg, VA 24061 USA. [Zhang, Y. -H. Percival] Virginia Polytech Inst & State Univ, ICTAS, Blacksburg, VA 24061 USA. [Zhang, Y. -H. Percival] DOE BioEnergy Sci Ctr, Oak Ridge, TN 37831 USA. RP Zhang, YHP (reprint author), Virginia Polytech Inst & State Univ, Dept Biol Syst Engn, 210-A Seitz Hall, Blacksburg, VA 24061 USA. EM ypzhang@vt.edu FU Air Force Office of Scientific Research [FA9550-08-1-0145]; Department of Defense Contract [W911SR-08-P-0021]; USDA; DOE BioEnergy Science Center (BESC); DuPont Young Professor Award FX This work was supported by the Air Force Office of Scientific Research (FA9550-08-1-0145), the Department of Defense Contract (W911SR-08-P-0021), USDA, DOE BioEnergy Science Center (BESC), and DuPont Young Professor Award. The author also appreciated the useful discussion and critical reading from Dr Mielenz Jonathan at the Oak Ridge National Laboratory and Joe Rollin at Virginia Tech. NR 139 TC 70 Z9 71 U1 4 U2 24 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1754-5692 J9 ENERG ENVIRON SCI JI Energy Environ. Sci. PY 2009 VL 2 IS 3 BP 272 EP 282 DI 10.1039/b818694d PG 11 WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical; Environmental Sciences SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology GA 415GL UT WOS:000263922200003 ER PT J AU Baxter, J Bian, ZX Chen, G Danielson, D Dresselhaus, MS Fedorov, AG Fisher, TS Jones, CW Maginn, E Kortshagen, U Manthiram, A Nozik, A Rolison, DR Sands, T Shi, L Sholl, D Wu, YY AF Baxter, Jason Bian, Zhixi Chen, Gang Danielson, David Dresselhaus, Mildred S. Fedorov, Andrei G. Fisher, Timothy S. Jones, Christopher W. Maginn, Edward Kortshagen, Uwe Manthiram, Arumugam Nozik, Arthur Rolison, Debra R. Sands, Timothy Shi, Li Sholl, David Wu, Yiying TI Nanoscale design to enable the revolution in renewable energy SO ENERGY & ENVIRONMENTAL SCIENCE LA English DT Review ID RECHARGEABLE LITHIUM BATTERIES; MULTIPLE EXCITON GENERATION; METAL-ORGANIC FRAMEWORKS; BIOMASS-DERIVED SYNGAS; SENSITIZED SOLAR-CELLS; MEMBRANE FUEL-CELLS; HYDROGEN-STORAGE; ELECTROCHEMICAL CAPACITORS; THERMOELECTRIC-MATERIALS; THERMAL-CONDUCTIVITY AB The creation of a sustainable energy generation, storage, and distribution infrastructure represents a global grand challenge that requires massive transnational investments in the research and development of energy technologies that will provide the amount of energy needed on a sufficient scale and timeframe with minimal impact on the environment and have limited economic and societal disruption during implementation. In this opinion paper, we focus on an important set of solar, thermal, and electrochemical energy conversion, storage, and conservation technologies specifically related to recent and prospective advances in nanoscale science and technology that offer high potential in addressing the energy challenge. We approach this task from a two-fold perspective: analyzing the fundamental physicochemical principles and engineering aspects of these energy technologies and identifying unique opportunities enabled by nanoscale design of materials, processes, and systems in order to improve performance and reduce costs. Our principal goal is to establish a roadmap for research and development activities in nanoscale science and technology that would significantly advance and accelerate the implementation of renewable energy technologies. In all cases we make specific recommendations for research needs in the near-term (2-5 years), mid-term (5-10 years) and long-term (>10 years), as well as projecting a timeline for maturation of each technological solution. We also identify a number of priority themes in basic energy science that cut across the entire spectrum of energy conversion, storage, and conservation technologies. We anticipate that the conclusions and recommendations herein will be of use not only to the technical community, but also to policy makers and the broader public, occasionally with an admitted emphasis on the US perspective. C1 [Baxter, Jason] Drexel Univ, Dept Chem & Biol Engn, Philadelphia, PA 19104 USA. [Bian, Zhixi] Univ Calif Santa Cruz, Dept Elect Engn, Santa Cruz, CA 95064 USA. [Chen, Gang] MIT, Dept Mech Engn, Cambridge, MA 02139 USA. [Danielson, David] Gen Catalyst Partners, Cambridge, MA 02139 USA. [Dresselhaus, Mildred S.] MIT, Dept Phys, Cambridge, MA 02139 USA. [Dresselhaus, Mildred S.] MIT, Dept Elect Engn & Comp Sci, Cambridge, MA 02139 USA. [Fedorov, Andrei G.] Georgia Inst Technol, George W Woodruff Sch Mech Engn, Atlanta, GA 30332 USA. [Fedorov, Andrei G.] Petit Inst Bioengn & Biosci, Atlanta, GA 30332 USA. [Sands, Timothy] Purdue Univ, Birck Nanotechnol Ctr, Sch Mat Engn, W Lafayette, IN 47907 USA. [Fisher, Timothy S.] Purdue Univ, Sch Mech Engn, W Lafayette, IN 47907 USA. [Jones, Christopher W.; Sholl, David] Georgia Inst Technol, Sch Chem & Biomol Engn, Atlanta, GA 30332 USA. [Maginn, Edward] Univ Notre Dame, Dept Chem & Biomol Engn, Notre Dame, IN 46556 USA. [Kortshagen, Uwe] Univ Minnesota, Dept Mech Engn, Minneapolis, MN 55455 USA. [Manthiram, Arumugam; Shi, Li] Univ Texas Austin, Texas Mat Inst, Austin, TX 78712 USA. [Manthiram, Arumugam; Shi, Li] Univ Texas Austin, Dept Mech Engn, Austin, TX 78712 USA. [Nozik, Arthur] Ctr Revolutionary Solar Photoconvers, Natl Renewable Energy Lab, Golden, CO 80401 USA. [Rolison, Debra R.] USN, Res Lab, Surface Chem Branch, Washington, DC 20375 USA. [Sands, Timothy] Purdue Univ, Sch Elect & Comp Engn, W Lafayette, IN 47907 USA. [Wu, Yiying] Ohio State Univ, Dept Chem, Columbus, OH 43210 USA. RP Baxter, J (reprint author), Drexel Univ, Dept Chem & Biol Engn, Philadelphia, PA 19104 USA. EM millie@mgm.mit.edu; andrei.fedorov@me.gatech.edu; tsfisher@purdue.edu; lishi@mail.utexas.edu RI Sands, Timothy/D-2133-2009; Wu, Yiying/A-3949-2011; Shi, Li/C-8123-2013; Baxter, Jason/E-2292-2013; Maginn, Edward/F-7584-2014; Chen, Gang/J-1325-2014; Fisher, Timothy/D-8517-2011; Kortshagen, Uwe/B-8744-2016; Nozik, Arthur/A-1481-2012; Nozik, Arthur/P-2641-2016 OI Sands, Timothy/0000-0001-9718-6515; Shi, Li/0000-0002-5401-6839; Baxter, Jason/0000-0001-8702-3915; Wu, Yiying/0000-0001-9359-1863; Chen, Gang/0000-0002-3968-8530; Fisher, Timothy/0000-0002-8909-313X; Kortshagen, Uwe/0000-0001-5944-3656; FU US National Science Foundation; Journal of Energy & Environmental Science FX Financial support for the workshop was provided by the US National Science Foundation, the Journal of Energy & Environmental Science, and the General Catalysts Partners Venture Fund. The authors thank Dr Gene Dresselhaus for his contribution to the preparation of this manuscript. NR 223 TC 165 Z9 166 U1 19 U2 245 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1754-5692 EI 1754-5706 J9 ENERG ENVIRON SCI JI Energy Environ. Sci. PY 2009 VL 2 IS 6 BP 559 EP 588 DI 10.1039/b821698c PG 30 WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical; Environmental Sciences SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology GA 452QF UT WOS:000266555600001 ER PT J AU Walsh, A Ahn, KS Shet, S Huda, MN Deutsch, TG Wang, HL Turner, JA Wei, SH Yan, YF Al-Jassim, MM AF Walsh, Aron Ahn, Kwang-Soon Shet, Sudhakar Huda, Muhammad N. Deutsch, Todd G. Wang, Heli Turner, John A. Wei, Su-Huai Yan, Yanfa Al-Jassim, Mowafak M. TI Ternary cobalt spinel oxides for solar driven hydrogen production: Theory and experiment SO ENERGY & ENVIRONMENTAL SCIENCE LA English DT Article ID TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; ELECTRONIC-STRUCTURE; INTRINSIC DEFECTS; VISIBLE-LIGHT; WATER; BIVO4; FILMS; TRANSPARENT; COAL2O4 AB Discovery of a chemically stable, light absorbing and low resistivity metal oxide with band edges aligned to the water redox potentials has been a goal of physical scientists for the past forty years. Despite an immense amount of effort, no solution has been uncovered. We present a combined theoretical and experimental exploration of a series of unconventional ternary cobalt spinel oxides, which offer chemical functionality through substitution on the octahedral spinel B site. First-principles predictions of the substitution of group 13 cations (Al, Ga, In) in Co3O4 to form a series of homologous CoX2O4 spinel compounds are combined with experimental synthesis and photoelectrochemical characterization. Ultimately, while tunable band gaps in the visible range can be obtained, the material performance is limited by poor carrier transport properties associated with small polaron carriers. Future design pathways for metal oxide exploration are discussed. C1 [Walsh, Aron; Shet, Sudhakar; Huda, Muhammad N.; Deutsch, Todd G.; Wang, Heli; Turner, John A.; Wei, Su-Huai; Yan, Yanfa; Al-Jassim, Mowafak M.] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Ahn, Kwang-Soon] Yeungnam Univ, Sch Display & Chem Engn, Kyungsan 712749, South Korea. RP Walsh, A (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM a.walsh@ucl.ac.uk RI Walsh, Aron/A-7843-2008; Huda, Muhammad/C-1193-2008; OI Walsh, Aron/0000-0001-5460-7033; Huda, Muhammad/0000-0002-2655-498X; Deutsch, Todd/0000-0001-6577-1226 FU U.S. Department of Energy (DOE) [DE-AC36-08GO28308]; Computing resources of the National Energy Research Scientific Computing Center [DE-AC02-05CH11231] FX We would like to thank B. A. Parkinson and M. Woodhouse for useful discussions in relation to their high throughput screening results. This work is supported by the U.S. Department of Energy (DOE) under contract no. DE-AC36-08GO28308. Computing resources of the National Energy Research Scientific Computing Center were employed, which is supported by DOE under Contract No. DE-AC02-05CH11231. NR 78 TC 34 Z9 34 U1 4 U2 50 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1754-5692 EI 1754-5706 J9 ENERG ENVIRON SCI JI Energy Environ. Sci. PY 2009 VL 2 IS 7 BP 774 EP 782 DI 10.1039/b822903a PG 9 WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical; Environmental Sciences SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology GA 470NI UT WOS:000267981200007 ER PT J AU Wang, LW AF Wang, Lin-Wang TI Computational challenges for nanostructure solar cells SO ENERGY & ENVIRONMENTAL SCIENCE LA English DT Article ID DENSITY-FUNCTIONAL THEORY; CDSE QUANTUM DOTS; NONADIABATIC MOLECULAR-DYNAMICS; AB-INITIO; ELECTRONIC-PROPERTIES; PSEUDOPOTENTIAL THEORY; LIGAND-BINDING; SEEDED GROWTH; ENERGY; EFFICIENCY AB This review discusses the current status of large scale computational capability and future challenges for nanostructure solar cell simulations. The focus is on atomistic ab initio simulations for inorganic nanocrystal systems. A discussion of current capability in simulating the critical steps in a solar cell operation: photon absorption, exciton generation, exciton dissociation, carrier transport, and charge transfer crossing a nano contact is presented. A few novel computational methods that scale linearly to the size of the system, while retaining the ab initio quality of the simulation are introduced. Also discussed are the most challenging aspects of the simulations: surface passivation and nanocontact atomic structures. C1 Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Wang, LW (reprint author), Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. FU DMSE/BES/SC of the US Department of Energy [DE-AC02-05CH11231]; US Department of Energy Innovative and Novel Computational Impact on Theory and Experiment (INCITE) FX This work was supported by the DMSE/BES/SC of the US Department of Energy under the contract No. DE-AC02-05CH11231. Some of the calculations shown in this paper used the resources of the National Energy Research Scientific Computing Center (NERSC), Oakridge Leadership Computing Facility (OLCF), and Argonne Leadership Computing Facility (ALCF). This work is also supported by the US Department of Energy Innovative and Novel Computational Impact on Theory and Experiment (INCITE) program. NR 98 TC 16 Z9 16 U1 1 U2 13 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1754-5692 EI 1754-5706 J9 ENERG ENVIRON SCI JI Energy Environ. Sci. PY 2009 VL 2 IS 9 BP 944 EP 955 DI 10.1039/b904805g PG 12 WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical; Environmental Sciences SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology GA 486QD UT WOS:000269211500004 ER PT J AU Wishart, JF AF Wishart, James F. TI Energy applications of ionic liquids SO ENERGY & ENVIRONMENTAL SCIENCE LA English DT Review ID SENSITIZED SOLAR-CELLS; ROOM-TEMPERATURE; DEEP DESULFURIZATION; FUEL-CELLS; OXIDATIVE DESULFURIZATION; ELECTROCHEMICAL DEVICES; ELECTROCHROMIC DEVICES; GAMMA-IRRADIATION; EXTRACTION; ELECTROLYTES AB Due to their unusual sets of properties, ionic liquids have many important applications in devices and processes for the production, storage and efficient use of energy and other resources. C1 Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Wishart, JF (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. EM wishart@bnl.gov RI Wishart, James/L-6303-2013 OI Wishart, James/0000-0002-0488-7636 FU U. S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences [DE-AC02-98CH10886] FX This work was supported by the U. S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences under contract # DE-AC02-98CH10886. NR 102 TC 225 Z9 225 U1 12 U2 143 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1754-5692 EI 1754-5706 J9 ENERG ENVIRON SCI JI Energy Environ. Sci. PY 2009 VL 2 IS 9 BP 956 EP 961 DI 10.1039/b906273d PG 6 WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical; Environmental Sciences SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology GA 486QD UT WOS:000269211500005 ER PT J AU Darling, SB AF Darling, Seth B. TI Block copolymers for photovoltaics SO ENERGY & ENVIRONMENTAL SCIENCE LA English DT Review ID POLYMER SOLAR-CELLS; ACCEPTOR DIBLOCK COPOLYMERS; CONJUGATED POLYMERS; BAND-GAP; RADICAL POLYMERIZATION; ORGANIC SEMICONDUCTORS; SELF-ORGANIZATION; THIN-FILMS; BOTTOM-UP; DONOR AB Photovoltaic energy conversion is arguably the most promising option for supplying renewable, carbon-neutral energy on a global scale. In order to reach grid parity, however, costs must be reduced substantially. Inexpensive materials generally exhibit efficiencies too low for practical application, but by controlling the morphology on the nanoscale there are opportunities to achieve significant improvements in this area. Block copolymers, which naturally self-assemble into periodic ordered nanostructures, can be utilized in diverse ways to control morphology, ranging from active layers to structure directors to a combination of these methodologies. C1 Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Darling, SB (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA. EM darling@anl.gov FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX Use of the Center for Nanoscale Materials was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. NR 90 TC 168 Z9 169 U1 2 U2 83 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1754-5692 EI 1754-5706 J9 ENERG ENVIRON SCI JI Energy Environ. Sci. PY 2009 VL 2 IS 12 BP 1266 EP 1273 DI 10.1039/b912086f PG 8 WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical; Environmental Sciences SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology GA 522YN UT WOS:000272036300003 ER PT J AU Pappano, PJ Schobert, HH AF Pappano, Peter J. Schobert, Harold H. TI Effect of Natural Mineral Inclusions on the Graphitizability of a Pennsylvania Anthracite SO ENERGY & FUELS LA English DT Article ID X-RAY; ELECTRON-MICROSCOPY; CARBON; COAL; CARBONIZATION AB A Pennsylvania anthracite was heat-treated to temperatures in excess of 2000 degrees C. Carbides formed at similar to 2200 degrees C and then decomposed at similar to 2500 degrees C. This process aided in the graphitization of the anthracite. The carbide formation-decomposition reactions were the sole graphitization mechanism for this anthracite. This was shown by demineralizing (to remove the natural mineral inclusions) and then heat-treating the sample to 2600 degrees C. X-ray diffraction (XRD) of the heat-treated demineralized sample showed that the (112) peak, which is indicative of three-dimensional ordering and was previously observed in the native heat-treated anthracite, was no longer present. The demineralized anthracite was remineralized by individually adding four types of minerals (rutile, quartz, calcite, and hematite) to demineralized samples. Each of the remineralized samples was heat-treated and found to exhibit the (112) peak again. The absence of the (112) XRD peak after removal of minerals and heat treatment followed by its reappearance after remineralization and heat treatment strongly suggests that the anthracite was only graphitizable if mineral matter was present. C1 [Pappano, Peter J.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Schobert, Harold H.] Penn State Univ, Energy Inst, University Pk, PA 16802 USA. RP Pappano, PJ (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM pappanopj@ornl.gov FU Consortium for Premium Carbon Products from Coal (CPCPC) FX The authors thank the Consortium for Premium Carbon Products from Coal (CPCPC) for funding this research, the Summit mine for providing the anthracite samples, Jane Howe for HRTEM assistance, Michelle Kidder for her help with FTIR, David Glick and Gareth Mitchell for their assistance with anthracite sampling and preparation, and POCO Graphite for providing the crucibles used during heat treatments. NR 37 TC 8 Z9 9 U1 2 U2 8 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0887-0624 J9 ENERG FUEL JI Energy Fuels PD JAN-FEB PY 2009 VL 23 IS 1 BP 422 EP 428 DI 10.1021/ef800515r PG 7 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA 411ED UT WOS:000263629900059 ER PT J AU Elliott, DC Hart, TR AF Elliott, Douglas C. Hart, Todd R. TI Catalytic Hydroprocessing of Chemical Models for Bio-oil SO ENERGY & FUELS LA English DT Article AB Bio-oil (product liquids from fast pyrolysis of biomass) is a complex mixture of oxygenates derived from the thermal breakdown of the biopolymers in biomass. In the case of lignocellulosic biomass, the structures of three major components, cellulose, hemicellulose and lignin, are well-represented by the bio-oil components. To study the chemical mechanisms of catalytic hydroprocessing of bio-oil, three model compounds were chosen to represent those components. Guaiacol represents the large number of mono- and dimethoxy phenols found in bio-oil derived from soft- or hardwood, respectively. Furfural represents a major pyrolysis product group from cellulosics. Acetic acid is a major product from biomass pyrolysis, derived from the hernicellulose, which has important impacts on the further processing of the bio-oil because of its acidic character. These three compounds were processed using a palladium or ruthenium catalyst over a temperature range from 150 to 300 degrees C. The batch reactor was sampled during each test over a period of 4 h. The samples were analyzed by gas chromatography with both a mass selective detector and a flame ionization detector. The products were determined, and the reaction pathways for their formation are suggested on the basis of these results. Both temperature and catalyst metal have significant effects on the product composition. C1 [Elliott, Douglas C.; Hart, Todd R.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Elliott, DC (reprint author), Pacific NW Natl Lab, POB 999,MSIN P8-60, Richland, WA 99352 USA. EM dougc.elliott@pnl.gov OI Hart, Todd/0000-0001-8013-0689 FU U.S. Department of Energy; Pacific Northwest National Laboratory [DE-AC06-76RLO 1830] FX The authors acknowledge the support for this research provided by the U.S. Department of Energy through its Office of the Biomass Program and the program managers, Ms. Melissa Klembara and Paul Grabowski. Pacific Northwest National Laboratory is operated by the U.S. Department of Energy by Battelle under Contract DE-AC06-76RLO 1830. NR 13 TC 165 Z9 168 U1 7 U2 109 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0887-0624 J9 ENERG FUEL JI Energy Fuels PD JAN-FEB PY 2009 VL 23 IS 1 BP 631 EP 637 DI 10.1021/ef8007773 PG 7 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA 411ED UT WOS:000263629900094 ER PT J AU Gormley, RJ Link, DD Baltrus, JP Zandhuis, PH AF Gormley, Robert J. Link, Dirk D. Baltrus, John P. Zandhuis, Paul H. TI Interactions of Jet Fuels with Nitrile O-Rings: Petroleum-Derived versus Synthetic Fuels SO ENERGY & FUELS LA English DT Article ID ELASTOMERIC MEMBRANES; HEPTANE MIXTURES; SEPARATION; IDENTIFICATION; PERVAPORATION AB A transition from petroleum-derived jet fuels to blends with Fischer-Tropsch (F-T) fuels, and ultimately fully synthetic hydro-isomerized F-T fuels has raised concern about the fate of plasticizers in nitrile-butadiene rubber o-rings that are contacted by the fuels as this transition occurs. The partitioning of plasticizers and fuel molecules between nitrile o-rings and petroleum-derived, synthetic, and additized-synthetic jet fuels has been measured. Thermal desorption of o-rings soaked in the various jet fuels followed by gas chromatographic analysis with a mass spectrometric detector showed many of the plasticizer and stabilizer compounds were removed from the o-rings regardless of the contact fuel. Fuel molecules were observed to migrate into the o-rings for the petroleum-derived fuel as did both the fuel and additive for a synthetic F-T jet fuel additized with benzyl alcohol, but less for the unadditized synthetic fuel. The specific compounds or classes of compounds involved in the partitioning were identified and a semiquantitative comparison of relative partitioning of the compounds of interest was made, The results provide another step forward in improving the confidence level of using additized, fully synthetic jet fuel in the place of petroleum-derived fuel. C1 [Gormley, Robert J.; Link, Dirk D.; Baltrus, John P.] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. [Zandhuis, Paul H.] RDS Parsons, South Pk, PA 15129 USA. RP Gormley, RJ (reprint author), US DOE, Natl Energy Technol Lab, POB 10940, Pittsburgh, PA 15236 USA. EM robert.gormley@netl.doe.gov NR 18 TC 7 Z9 7 U1 0 U2 7 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0887-0624 J9 ENERG FUEL JI Energy Fuels PD JAN-FEB PY 2009 VL 23 IS 1 BP 857 EP 861 DI 10.1021/ef8008037 PG 5 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA 411ED UT WOS:000263629900125 ER PT J AU Goodman, AL AF Goodman, A. L. TI A Comparison Study of Carbon Dioxide Adsorption on Polydimethylsiloxane, Silica Gel, and Illinois No. 6 Coal Using in Situ Infrared Spectroscopy SO ENERGY & FUELS LA English DT Article ID ARGONNE PREMIUM COALS; CO2 SORPTION; IR; ISOTHERMS; PRESSURE; SURFACE; GAS; DIFFUSION; CAPACITY; VAPORS AB Adsorption of supercritical carbon dioxide (CO(2)) on polydimethylsiloxane (PDMS), silica gel (SiO(2)), and Illinois No. 6 coal was compared using in situ attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopy at pressures up to 14 MPa and temperatures at 40 degrees C and 50 degrees C. Only physical adsorption of CO(2) was recorded for PDMS, SiO(2), and Illinois No. 6. There was no evidence of the formation of carbonic acid, bicarbonates, carbonates, or any other reaction product between CO(2) and PDMS, SiO(2), and Illinois No. 6 coal. Carbon dioxide adsorption on PDMS and SiO(2) produced a linear isotherm while a typical Langmuir-like isotherm was observed for Illinois No. 6 coal. Attempts to measure CO(2) induced swelling of the three materials was unsuccessful due to the design of the ATR-FTIR cell. C1 US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. RP Goodman, AL (reprint author), US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. EM angela.goodman@netl.doe.gov NR 51 TC 24 Z9 25 U1 1 U2 17 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0887-0624 J9 ENERG FUEL JI Energy Fuels PD JAN-FEB PY 2009 VL 23 IS 1 BP 1101 EP 1106 DI 10.1021/ef8008025 PG 6 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA 411ED UT WOS:000263629900160 ER PT B AU Dudney, NJ AF Dudney, Nancy J. BE Priya, S Inman, DJ TI Thin Film Batteries for Energy Harvesting SO ENERGY HARVESTING TECHNOLOGIES LA English DT Article; Book Chapter ID LITHIUM BATTERIES; RECHARGING BATTERIES; CATHODES; LICOO2 AB Batteries are one solution for charge accumulation and storage of energy from harvesting and scavenging devices. Because many harvesting devices capture low levels of ambient energy, only very small batteries are required for most applications requiring energy storage and intermittent use. This chapter highlights the fabrication and performance of research batteries and recently commercialized thin film batteries (TFB) including the energy and power densities, charging requirements, cycle-life and shelf-life, and also oerformance at both high and low temperatures. With flexible charging models and excellent cycle life, thin batteries are very promising for paring with a variety of energy harvesting devices including solar cells and piezoelectrics. C1 Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Dudney, NJ (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. EM dudneynj@ornl.gov NR 13 TC 3 Z9 3 U1 1 U2 5 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY BN 978-0-387-76463-4 PY 2009 BP 355 EP 363 DI 10.1007/978-0-387-76464-1_13 D2 10.1007/978-0-387-76464-1 PG 9 WC Electrochemistry; Engineering, Electrical & Electronic; Engineering, Mechanical; Materials Science, Multidisciplinary SC Electrochemistry; Engineering; Materials Science GA BKI95 UT WOS:000268240100013 ER PT B AU Park, G Farinholt, KM Farrar, CR Rosing, T Todd, MD AF Park, Gyuhae Farinholt, Kevin M. Farrar, Charles R. Rosing, Tajana Todd, Michael D. BE Priya, S Inman, DJ TI Powering Wireless SHM Sensor Nodes through Energy Harvesting SO ENERGY HARVESTING TECHNOLOGIES LA English DT Article; Book Chapter AB The concept of wireless sensor nodes and sensor networks has been widely investigated for various applications, including the field of structural health monitoring (SHM). However, the ability to power sensors, on board processing, and telemetry components is a significant challenge in many applications. Several energy harvesting techniques have been proposed and studied to solve such problems. This chapter summarizes recent advances and research issues in energy harvesting relevant to the embedded wireless sensing networks, in particular SHM applications. A brief introduction of SHM is first presented and the concept of energy harvesting for embedded sensing systems is addressed with respect to various sensing modalities used for SHM and their respective power requirements. The power optimization strategies for embedded sensing networks are then summarized, followed by several example studies of energy harvesting as it has been applied to SHM embedded sensing systems. The paper concludes by defining some future research directions that are aimed at transitioning the concept of energy harvesting for embedded sensing systems from laboratory research to field-deployed engineering prototypes. C1 [Park, Gyuhae; Farinholt, Kevin M.; Farrar, Charles R.] Los Alamos Natl Lab, Engn Inst, Los Alamos, NM 87545 USA. [Rosing, Tajana; Todd, Michael D.] Univ Calif San Diego, Jacobs Sch Engn, La Jolla, CA 92093 USA. RP Park, G (reprint author), Los Alamos Natl Lab, Engn Inst, Los Alamos, NM 87545 USA. EM gpark@lanl.gov; farinholt@lanl.gov; farrar@lanl.gov; mdt@ucsd.edu NR 24 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY BN 978-0-387-76463-4 PY 2009 BP 493 EP 506 DI 10.1007/978-0-387-76464-1_19 D2 10.1007/978-0-387-76464-1 PG 14 WC Electrochemistry; Engineering, Electrical & Electronic; Engineering, Mechanical; Materials Science, Multidisciplinary SC Electrochemistry; Engineering; Materials Science GA BKI95 UT WOS:000268240100019 ER PT B AU Hemrick, JG Peters, KM Damiano, J AF Hemrick, James G. Peters, Klaus-Markus Damiano, John BE Neelameggham, NR Reddy, RG Belt, CK Vidal, EE TI Energy Saving Strategies for the Use of Refractory Materials in Molten Material Contact SO ENERGY TECHNOLOGY PERSPECTIVES: CONSERVATION, CARBON DIOXIDE REDUCTION AND PRODUCTION FROM ALTERNATIVE SOURCES LA English DT Proceedings Paper CT Joint Symposium on Carbon Dioxide Reduction Metallurgy / 2nd Symposium on Energy Conservation in Metals Extraction and Materials Processing held at the TMS Annual Meeting and Exhibition CY FEB 15-19, 2009 CL San Francisco, CA SP Minerals, Metals & Mat Soc, Light Metals Div DE Refractories; Molten Metal; Glass; Lime; Energy Savings AB Work was performed by Oak Ridge National Laboratory (ORNL), in collaboration with industrial refractory manufacturers, refractory users, and academic institutions, to employ novel refractory systems and techniques to reduce energy consumption of molten material processing vessels found in industries such as aluminum, glass and pulp and paper. The energy savings strategies discussed are achieved through reduction of chemical reactions, elimination of mechanical degradation caused by the service environment reduction of temperature limitations of materials, and elimination of costly installation and repair needs. Key results of several case studies resulting from US Department of Energy (DOE) funded research programs are discussed with emphasis oil applicability of these results to high temperature processing industries. C1 [Hemrick, James G.] Oak Ridge Natl Lab, Oak Ridge, TN 37909 USA. RP Hemrick, JG (reprint author), Oak Ridge Natl Lab, Bethel Valley Rd, Oak Ridge, TN 37909 USA. NR 7 TC 1 Z9 1 U1 0 U2 0 PU MINERALS, METALS & MATERIALS SOC PI WARRENDALE PA 184 THORN HILL RD, WARRENDALE, PA 15086-7514 USA BN 978-0-87339-733-9 PY 2009 BP 225 EP 232 PG 8 WC Energy & Fuels; Materials Science, Multidisciplinary; Mineralogy SC Energy & Fuels; Materials Science; Mineralogy GA BIX81 UT WOS:000263638700024 ER PT J AU Johnson, SM Williams, JR Cook, BK AF Johnson, Scott M. Williams, John R. Cook, Benjamin K. TI On the application of quaternion-based approaches in discrete element methods SO ENGINEERING COMPUTATIONS LA English DT Article CT 4th International Conference on Discrete Element Methods CY AUG, 2007 CL Brisbane, AUSTRALIA DE Dynamics; Integration; Rotation measurement; Rotational motion ID RIGID-BODY DYNAMICS; NUMERICAL-INTEGRATION; MOLECULAR-DYNAMICS; ALGORITHMS; POLYATOMICS; EQUATIONS; SYSTEMS; MOTION AB Purpose - Though the problem of resolving translational motion in particle methods is a relatively straightforward task, the complications of resolving rotational motion are non-trivial. Many molecular dynamics and non-deformable discrete element applications employ an explicit integration for resolving orientation, often involving products of matrices, which have well-known drawbacks. The purpose of this paper is to investigate commonly used algorithms for resolving rotational motion and describe the application of quaternion-based approaches to discrete element method simulations. Design/methodology/approach - Existing algorithms are compared against a quaternion-based reparameterization of both the central difference algorithm and the approach of Munjiza et at for finite/discrete element modeling (FEM/DEM) applications for the case of torque-free precession. Findings - The resultant algorithms provide not only guaranteed orthonormality of the resulting rotation but also allow assumptions of small-angle rotation to be relaxed and the use of a more accurate Taylor expansion instead. Originality/value - The approaches described in this paper balance ease of implementation within existing explicit codes with computational efficiency and accuracy appropriate to the order of error in many discrete element method simulations. C1 [Johnson, Scott M.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Williams, John R.] MIT, Cambridge, MA 02139 USA. [Cook, Benjamin K.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Johnson, SM (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM johnson346@llnl.gov NR 22 TC 3 Z9 3 U1 1 U2 5 PU EMERALD GROUP PUBLISHING LIMITED PI BINGLEY PA HOWARD HOUSE, WAGON LANE, BINGLEY BD16 1WA, W YORKSHIRE, ENGLAND SN 0264-4401 J9 ENG COMPUTATION JI Eng. Comput. PY 2009 VL 26 IS 6 BP 610 EP 620 DI 10.1108/02644400910975414 PG 11 WC Computer Science, Interdisciplinary Applications; Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications; Mechanics SC Computer Science; Engineering; Mathematics; Mechanics GA 490DJ UT WOS:000269477800004 ER PT S AU Raybourn, EM AF Raybourn, Elaine M. BE Natkin, S Dupire, J TI In-Game Peer Performance Assessment Role That Fosters Metacognitive Agility and Reflection SO ENTERTAINMENT COMPUTING - ICEC 2009 SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 8th International Conference on Entertainment Computing (ICEC 2009) CY SEP 03-05, 2009 CL Paris, FRANCE SP IFIP, Natl Ctr Cinema, Cap Digital DE serious game; metacognitive agility; reflection; in-game performance assessment; peer learning; intercultural competence; sensitivity AB In this paper we describe the development of a method and system for training metacognitive agility (self-awareness and self-regulated learning) in serious games applications. We introduce a unique design that features a novel role for real-time, in-game peer performance assessment and feedback to encourage user reflection and self-explanation. This approach has been implemented in two serious games currently in use today whose focus is intercultural competence and intercultural sensitivity education. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Raybourn, EM (reprint author), Sandia Natl Labs, POB 5800 MS 1188, Albuquerque, NM 87185 USA. EM emraybo@sandia.gov NR 6 TC 2 Z9 2 U1 0 U2 3 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-642-04051-1 J9 LECT NOTES COMPUT SC PY 2009 VL 5709 BP 304 EP 306 PG 3 WC Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA BLY60 UT WOS:000271451400045 ER PT J AU Kalantzi, OI Brown, FR Caleffi, M Goth-Goldstein, R Petreas, M AF Kalantzi, O. I. Brown, F. R. Caleffi, M. Goth-Goldstein, R. Petreas, M. TI Polybrominated diphenyl ethers and polychlorinated biphenyls in human breast adipose samples from Brazil SO ENVIRONMENT INTERNATIONAL LA English DT Article DE PBDEs; PCBS; Human adipose; Brazil; Human exposure ID HUMAN-MILK; FLAME RETARDANTS; TISSUE; PBDES; ORGANOCHLORINE; CONTAMINANTS; EXPOSURE; SPAIN; WOMEN; PCBS AB Twenty five human breast adipose tissue samples were collected in Porto Alegre. Brazil during 2004-2005 and analyzed for polybrominated diphenyl ethers (PBDEs) and polychlorinated biphenyls (PCBs). Sigma PBDE concentrations (sum of tri- to hepta-BDEs) ranged from 0.19 to 132 ng/g lipid with a median of 1.51 ng/g lipid. These concentrations are 3- to 100-times lower than those reported from other countries, with the exception of Japan, probably reflecting lower usage of PBDE-containing products or lower exposures to these chemicals. The predominant congener was BDE-47, followed by BDEs 99,183. 153 and 100. One individual in the dataset had about 70-times higher PBDE concentrations than the rest of the participants. Sigma PCB (sum of PCBs 118. 138, 153, 180) ranged from 30 to 339 ng/g lipid, with a median of 51 ng/g lipid. No age dependency was found for PBDEs (r=-0.800-0.374, p > 0.05) or PCB 180 (r=0.278, p > 0.05). On the other hand, PCBs 118,138 and 153 did show age dependency (r=0.410-0.458. p < 0.05). This is the first study to report levels of PBDEs in human breast adipose from Brazil. (C) 2008 Elsevier Ltd. All rights reserved. C1 [Kalantzi, O. I.; Brown, F. R.; Petreas, M.] Environm Chem Lab, Dept Tox Subst Control, Berkeley, CA 94710 USA. [Caleffi, M.] Hosp Moinhos Vento, BR-90035001 Porto Alegre, RS, Brazil. [Goth-Goldstein, R.] Univ Calif Berkeley, Lawrence Berkeley Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. RP Kalantzi, OI (reprint author), Univ Aegean, Dept Environm, Xenia Bldg,Univ Hill, Mitilini 81100, Greece. EM kalantzi@aegean.gr RI Kalantzi, Olga-Ioanna/E-5085-2017 OI Kalantzi, Olga-Ioanna/0000-0002-0466-212X FU USAMRMC [DAMD 17-01-1-0290]; Office of Science, of the U.S. Department of Energy [DE-AC02-05CH11231] FX The authors would like to thank Joao Eschiletti, M.D. and Ana Paula Mueller, M.D. for sample collection, Christine Erdmann, Ph.D. for the epidemiologic study design, as well as all the women who participated in the study. Authors' views do not necessarily express the views of the California Department of Toxic Substances Control. Part of this work was supported by USAMRMC Grant No. DAMD 17-01-1-0290 and the Director, Office of Science, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 31 TC 22 Z9 24 U1 0 U2 9 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0160-4120 J9 ENVIRON INT JI Environ. Int. PD JAN PY 2009 VL 35 IS 1 BP 113 EP 117 DI 10.1016/j.envint.2008.09.008 PG 5 WC Environmental Sciences SC Environmental Sciences & Ecology GA 391FF UT WOS:000262218500017 PM 18952285 ER PT J AU Hatzinger, PB Bohlke, JK Sturchio, NC Gu, B Heraty, LJ Borden, RC AF Hatzinger, Paul B. Bohlke, John Karl Sturchio, Neil C. Gu, Baohua Heraty, Linnea J. Borden, Robert C. TI Fractionation of stable isotopes in perchlorate and nitrate during in situ biodegradation in a sandy aquifer SO ENVIRONMENTAL CHEMISTRY LA English DT Article ID FRESH-WATER; NITROGEN; OXYGEN; DENITRIFICATION; REDUCTION; CHLORINE; BIOREMEDIATION; GROUNDWATER; CONTAMINANT; METABOLISM AB An in situ experiment was performed in a shallow alluvial aquifer in Maryland to quantify the fractionation of stable isotopes in perchlorate (Cl and O) and nitrate (N and O) during biodegradation. An emulsified soybean oil substrate that was previously injected into this aquifer provided the electron donor necessary for biological perchlorate reduction and denitrification. During the field experiment, groundwater extracted from an upgradient well was pumped into an injection well located within the in situ oil barrier, and then groundwater samples were withdrawn for the next 30 h. After correction for dilution (using Br(-) as a conservative tracer of the injectate), perchlorate concentrations decreased by 78% and nitrate concentrations decreased by 82% during the initial 8.6 h after the injection. The observed ratio of fractionation effects of O and Cl isotopes in perchlorate (is an element of(18)O/is an element of(37)Cl) was 2.6, which is similar to that observed in the laboratory using pure cultures (2.5). Denitrification by indigenous bacteria fractionated O and N isotopes in nitrate at a ratio of similar to 0.8 (is an element of(18)O/is an element of(15)N), which is within the range of values reported previously for denitrification. However, the magnitudes of the individual apparent in situ isotope fractionation effects for perchlorate and nitrate were appreciably smaller than those reported in homogeneous closed systems (0.2 to 0.6 times), even after adjustment for dilution. These results indicate that (1) isotope fractionation factor ratios (is an element of(18)O/is an element of(37)Cl, is an element of(18)O/is an element of(15)N) derived from homogeneous laboratory systems (e. g. pure culture studies) can be used qualitatively to confirm the occurrence of in situ biodegradation of both perchlorate and nitrate, but (2) the magnitudes of the individual apparent is an element of values cannot be used quantitatively to estimate the in situ extent of biodegradation of either anion. C1 [Hatzinger, Paul B.] Shaw Environm Inc, Lawrenceville, NJ 08648 USA. [Bohlke, John Karl] US Geol Survey, Reston, VA 20192 USA. [Sturchio, Neil C.; Heraty, Linnea J.] Univ Illinois, Chicago, IL 60607 USA. [Gu, Baohua] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Borden, Robert C.] N Carolina State Univ, Raleigh, NC 27695 USA. RP Hatzinger, PB (reprint author), Shaw Environm Inc, Lawrenceville, NJ 08648 USA. EM paul.hatzinger@shawgrp.com RI Gu, Baohua/B-9511-2012; Borden, Robert/E-6602-2011 OI Gu, Baohua/0000-0002-7299-2956; FU US Department of Defence Environmental Security Technology [ER-0509]; USGS National Research Program FX The present project was supported by the US Department of Defence Environmental Security Technology Certification Program ( Project ER-0509), and the USGS National Research Program in Water Resources. Assistance in the USGS laboratory was provided by Stanley Mroczkowski and Janet Hannon. Helpful reviews were provided by Richard L. Smith, Christopher Green, and several anonymous reviewers. Use of trade, product, or firm names is for descriptive purposes only, and does not imply endorsement by the US Government. NR 47 TC 16 Z9 19 U1 3 U2 19 PU CSIRO PUBLISHING PI COLLINGWOOD PA 150 OXFORD ST, PO BOX 1139, COLLINGWOOD, VICTORIA 3066, AUSTRALIA SN 1448-2517 J9 ENVIRON CHEM JI Environ. Chem. PY 2009 VL 6 IS 1 BP 44 EP 52 DI 10.1071/EN09008 PG 9 WC Chemistry, Analytical; Environmental Sciences SC Chemistry; Environmental Sciences & Ecology GA 413AL UT WOS:000263765200007 ER PT J AU Xiong, YL AF Xiong, Yongliang TI The aqueous geochemistry of thallium: speciation and solubility of thallium in low temperature systems SO ENVIRONMENTAL CHEMISTRY LA English DT Article DE environmental mediation; Guizhou Province; lanmuchangite; lorandite; specific interaction theory (SIT) ID PITZER MODEL PARAMETERS; GUIZHOU PROVINCE; HEAVY-METALS; SOILS; TOXICITY; EDTA; ZN; PB; BEHAVIOR; CHLORIDE AB Thallium is a highly toxic element, and at the same time it has a wide range of applications in industry. Therefore, it is important to know its speciation and solubility under low temperature conditions. This study expands the thermodynamic database of the first paper of this series on the aqueous geochemistry of thallium by providing the formation constants of some important thallium complexes, including TlEDTA(3-), TlOx(-) (Ox: oxalate), TlSuc(-) (Suc: succinate), TlMal(-) (Mal: malonate) and TlHPO(4)(-). This study also recommends the solubility product constant of TlCl(s) as 10(-3.65). The combined database allows us to model reliably the speciation and solubility of thallium in the Earth surface environments. As an example, the speciation and solubility of thallium in soil solutions are presented based on thermodynamic calculations. C1 Sandia Natl Labs, Carlsbad, NM 88220 USA. RP Xiong, YL (reprint author), Sandia Natl Labs, 4100 Natl Pk Highway, Carlsbad, NM 88220 USA. EM yxiong@sandia.gov NR 57 TC 10 Z9 13 U1 2 U2 25 PU CSIRO PUBLISHING PI COLLINGWOOD PA 150 OXFORD ST, PO BOX 1139, COLLINGWOOD, VICTORIA 3066, AUSTRALIA SN 1448-2517 J9 ENVIRON CHEM JI Environ. Chem. PY 2009 VL 6 IS 5 BP 441 EP 451 DI 10.1071/EN08086 PG 11 WC Chemistry, Analytical; Environmental Sciences SC Chemistry; Environmental Sciences & Ecology GA 509HL UT WOS:000271005600010 ER PT J AU Wellman, DM McNamara, BK Bacon, DH Cordova, EA Ermi, RM Top, LM AF Wellman, Dawn M. McNamara, Bruce K. Bacon, Diana H. Cordova, Elsa A. Ermi, Ruby M. Top, Laken M. TI Dissolution kinetics of meta-torbernite under circum-neutral to alkaline conditions SO ENVIRONMENTAL CHEMISTRY LA English DT Article ID VADOSE ZONE SEDIMENTS; CONTAMINATED HANFORD SEDIMENTS; GIBBS FREE-ENERGIES; URANIUM SPECIATION; CRYSTAL STRUCTURE; COMPLEX-FORMATION; MINERALS; SITE; AUTUNITE; PHASES AB The purpose of this investigation was to conduct a series of single-pass flow-through (SPFT) tests to (1) quantify the effect of temperature (23-90 degrees C) and pH (6 10) on meta-torbernite dissolution; (2) compare the dissolution of metatorbernite to other autunite-group minerals; and (3) evaluate the effect of aqueous phosphate on the dissolution kinetics of meta-torbernite. Results presented here illustrate meta-torbernite dissolution rates increase by similar to 100x over the pH interval of 6 to 10, irrespective of temperature. The power law coefficient for meta-torbernite, eta = 0.59 +/- 0.07, is greater than that quantified for Ca-meta-autunite, eta = 0.42 +/- 0.12. This suggests the stability of meta-torbernite is greater than that of metaautunite, which is reflected in the predicted stability constants. The rate equation for the dissolution of meta-torbernite as a function of aqueous phosphate concentration is log r(dissol) (mol m(-2) s(-1)) = -4.7 x 10(-13) + 4.1 x 10(-10)[PO(4)(3-)]. C1 [Wellman, Dawn M.; McNamara, Bruce K.; Bacon, Diana H.; Cordova, Elsa A.; Ermi, Ruby M.; Top, Laken M.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Top, Laken M.] Univ Idaho, Dept Chem, Moscow, ID 83844 USA. RP Wellman, DM (reprint author), Pacific NW Natl Lab, POB 999,K3-62, Richland, WA 99352 USA. EM dawn.wellman@pnl.gov OI Bacon, Diana/0000-0001-9122-5333 FU USA Department of Energy (DOE); Office of Environmental Management; EM-20 Environmental Cleanup and Acceleration; Fluor Hanford, Inc; USA Department of Energy [DE-AC06-76RL01830] FX Funding for this project was provided by the USA Department of Energy (DOE), Office of Environmental Management, EM-20 Environmental Cleanup and Acceleration (Mark Gilbertson); and by Fluor Hanford, Inc. (Jane Borghese). This work was conducted at Pacific Northwest National Laboratory, operated by Battelle for the USA Department of Energy under Contract DE-AC06-76RL01830. The authors gratefully acknowledge and thank the following individuals for their support in various aspects of this investigation: Keith Geiszler and Mike Lindberg for their planning and support of analytical work; Eric Clayton for conducting ICP-MS analyses; Igor Kutnyakov for conducting select X-ray diffraction and carbon analyses; Emily Richards for organising and assisting with single-pass flow-through testing; and Chase Bovaird for his support and assistance with various aspects of this investigation. NR 53 TC 4 Z9 4 U1 1 U2 7 PU CSIRO PUBLISHING PI COLLINGWOOD PA 150 OXFORD ST, PO BOX 1139, COLLINGWOOD, VICTORIA 3066, AUSTRALIA SN 1448-2517 J9 ENVIRON CHEM JI Environ. Chem. PY 2009 VL 6 IS 6 BP 551 EP 560 DI 10.1071/EN09046 PG 10 WC Chemistry, Analytical; Environmental Sciences SC Chemistry; Environmental Sciences & Ecology GA 534BS UT WOS:000272871100012 ER PT S AU Crum, JV Vienna, JD AF Crum, J. V. Vienna, J. D. BE Cozzi, A Ohji, T TI GLASSES FOR IMMOBILIZING LANTHANIDE, ALKALI, AND ALKALI-EARTH FISSION PRODUCTS SO ENVIRONMENTAL ISSUES AND WASTE MANAGEMENT TECHNOLOGIES IN THE MATERIALS AND NUCLEAR INDUSTRIES XII SE Ceramic Transactions LA English DT Proceedings Paper CT Materials Science and Technology Conference and Exhibition (MS&T 08) CY OCT 05-09, 2008 CL Pittsburgh, PA AB A series of glasses were formulated for the immobilization of a potential waste strewn from commercial nuclear fuel reprocessing, the combined lanthanide (LN), alkali, and alkaline earth (Cs/Sr) fission products. These glasses were formulated to meet repository disposal requirements while being processable in a cold-crucible melter. The glasses were fabricated and tested for product consistency test response, phase characterization, density, and glass transition temperature. The results suggest that the combined fission product waste forms are likely to meet repository requirements and generate less glass than if individual streams were vitrified. C1 [Crum, J. V.; Vienna, J. D.] Pacific NW Natl Lab, Richland, WA 99354 USA. RP Crum, JV (reprint author), Pacific NW Natl Lab, K6-24,POB 999, Richland, WA 99354 USA. NR 5 TC 1 Z9 1 U1 0 U2 1 PU AMER CERAMIC SOC PI WESTERVILLE PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA SN 1042-1122 BN 978-0-470-40848-3 J9 CERAM TRANS PY 2009 VL 207 BP 3 EP 8 PG 6 WC Environmental Sciences; Materials Science, Ceramics; Materials Science, Multidisciplinary SC Environmental Sciences & Ecology; Materials Science GA BTM13 UT WOS:000287270900001 ER PT S AU Kobelev, AP Stefanovsky, SV Lebedev, VV Polkanov, MA Gorbunov, VV Ptashkin, AG Knyazev, OA Marra, JC Gerdes, KD AF Kobelev, A. P. Stefanovsky, S. V. Lebedev, V. V. Polkanov, M. A. Gorbunov, V. V. Ptashkin, A. G. Knyazev, O. A. Marra, J. C. Gerdes, K. D. BE Cozzi, A Ohji, T TI FULL-SCALE COLD CRUCIBLE TEST ON VITRIFICATION OF SAVANNAH RIVER SITE SB4 HLW SURROGATE SO ENVIRONMENTAL ISSUES AND WASTE MANAGEMENT TECHNOLOGIES IN THE MATERIALS AND NUCLEAR INDUSTRIES XII SE Ceramic Transactions LA English DT Proceedings Paper CT Materials Science and Technology Conference and Exhibition (MS&T 08) CY OCT 05-09, 2008 CL Pittsburgh, PA AB A full-scale cold crucible vitrification test on sludge batch 4 (SB4) Savannah River Site HLW surrogate using a 418 mm inner diameter stainless steel crucible was carried-out for 66 hrs. Commercially available Frit 503-R4 (8 wt % Li2O, 16 wt % B2O3, 76 wt % SiO2) was used as a glass forming additive at a calcine to fit ratio of 1:1 (50 wt % calcine, 50 wt % fit). Three portions of slurry prepared from frit and mixture of chemicals simulating waste in amount of similar to 750 kg and from fit and waste surrogate prepared by the SRT-MST-2007-00070 procedure in amount of similar to 1,300 kg with water content of similar to 27 and similar to 50 wt %, respectively, was processed and similar to 875 kg of the vitrified product in total (similar to 415 + 460 kg) was obtained. Average parameters were as follows: vibration power = 121.6 to 134.1 kW, feed rate (capacity) = 25.1 to 39.8 kg/hr; glass pour rate (productivity) = 14.0 kg/hr; specific energy expenses for feed processing = 4.8 to 3.4 kWxhr/kg; specific energy expenses for glass production (melting ratio) = 8.7 to 9.6 kWxhr/kg; specific glass productivity = 2453 kg/(m(2)xd). The product was composed of major vitreous and minor spinet structure phases. No nepheline phase was found. The average degree of crystallinity was estimated to be similar to 12 vol %. Cesium was found to be the most volatile component (up to similar to 60 wt % of total added to the batch). Lithium, sodium and boron were less volatile. Other major feed constituents (Al, Si, Mg, Fe, Mn) were not volatile but their carry-over with gas vapor flow occurred. C1 [Kobelev, A. P.; Stefanovsky, S. V.; Lebedev, V. V.; Polkanov, M. A.; Gorbunov, V. V.; Ptashkin, A. G.; Knyazev, O. A.] SIA Radon, Moscow, Russia. [Marra, J. C.] Savannah River Natl Lab, Aiken, SC USA. [Gerdes, K. D.] US DOE, Off Environm Management, Washington, DC 20585 USA. RP Kobelev, AP (reprint author), SIA Radon, Moscow, Russia. NR 11 TC 0 Z9 0 U1 0 U2 4 PU AMER CERAMIC SOC PI WESTERVILLE PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA SN 1042-1122 BN 978-0-470-40848-3 J9 CERAM TRANS PY 2009 VL 207 BP 9 EP + DI 10.1002/9780470538371.ch2 PG 3 WC Environmental Sciences; Materials Science, Ceramics; Materials Science, Multidisciplinary SC Environmental Sciences & Ecology; Materials Science GA BTM13 UT WOS:000287270900002 ER PT S AU Herman, CC AF Herman, C. C. BE Cozzi, A Ohji, T TI ACCELERATED PROCESSING OF SB4 AND PREPARATION FOR SB5 PROCESSING AT DWPF SO ENVIRONMENTAL ISSUES AND WASTE MANAGEMENT TECHNOLOGIES IN THE MATERIALS AND NUCLEAR INDUSTRIES XII SE Ceramic Transactions LA English DT Proceedings Paper CT Materials Science and Technology Conference and Exhibition (MS&T 08) CY OCT 05-09, 2008 CL Pittsburgh, PA AB The Defense Waste Processing Facility (DWPF) initiated processing of Sludge Batch 4 (SB4) in May 2007. SB4 was the first DWPF sludge batch to contain significant quantities of HIM or high Al sludge. Initial testing with SB4 simulants showed potential negative impacts to DWPF processing; therefore, Savannah River National Laboratory (SRNL) performed extensive testing in an attempt to optimize processing. SRNL's testing has resulted in the highest DWPF production rates since start-up. During SB4 processing, DWPF also began incorporating waste streams from the interim salt processing facilities to initiate coupled operations. While DWPF has been processing SB4, the Liquid Waste Organization (LWO) and the SRNL have been preparing Sludge Batch 5 (SB5). SB5 has undergone low-temperature aluminum dissolution to reduce the mass of sludge for vitrification and will contain a small fraction of Purex sludge. A high-level review of SB4 processing and the SB5 preparation studies will be provided. C1 Savannah River Natl Lab, Aiken, SC 29808 USA. RP Herman, CC (reprint author), Savannah River Natl Lab, Aiken, SC 29808 USA. NR 18 TC 0 Z9 0 U1 0 U2 0 PU AMER CERAMIC SOC PI WESTERVILLE PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA SN 1042-1122 BN 978-0-470-40848-3 J9 CERAM TRANS PY 2009 VL 207 BP 47 EP 58 DI 10.1002/9780470538371.ch6 PG 12 WC Environmental Sciences; Materials Science, Ceramics; Materials Science, Multidisciplinary SC Environmental Sciences & Ecology; Materials Science GA BTM13 UT WOS:000287270900006 ER PT S AU Fox, KM Peeler, DK Marra, JC Aloy, A Soshnikov, R Trofimenko, AV Vienna, JD Riley, BJ Kim, DS Crum, JV AF Fox, Kevin M. Peeler, David K. Marra, James C. Aloy, Albert Soshnikov, Roman Trofimenko, Alexander V. Vienna, John D. Riley, Brian J. Kim, Dong-Sang Crum, Jarrod V. BE Cozzi, A Ohji, T TI INTERNATIONAL STUDIES OF ENHANCED WASTE LOADING AND IMPROVED MELT RATE FOR HIGH ALUMINA CONCENTRATION NUCLEAR WASTE GLASSES SO ENVIRONMENTAL ISSUES AND WASTE MANAGEMENT TECHNOLOGIES IN THE MATERIALS AND NUCLEAR INDUSTRIES XII SE Ceramic Transactions LA English DT Proceedings Paper CT Materials Science and Technology Conference and Exhibition (MS&T 08) CY OCT 05-09, 2008 CL Pittsburgh, PA AB The goal of this study was to determine the impacts of glass compositions with high aluminum concentrations on melter performance, crystallization and chemical durability for Savannah River Site (SRS) and Hanford waste streams. Glass compositions for Hanford targeted both high aluminum concentrations in waste sludge and a high waste loading in the glass. Compositions for SRS targeted Sludge Batch 5, the next sludge batch to be processed in the Defense Waste Processing Facility (DWPF), which also has a relatively high aluminum concentration. Three fits were selected for combination with the SRS waste to evaluate their impact on melt rate. The glasses were melted in two small-scale test melters at the V. G. Khlopin Radium Institute. The results showed varying degrees of spinel formation in each of the glasses. Some improvements in melt rate were made by tailoring the fit composition for the SRS feeds. All of the Hanford and SRS compositions had acceptable chemical durability. C1 [Fox, Kevin M.; Peeler, David K.; Marra, James C.] Savannah River Natl Lab, Aiken, SC 29808 USA. RP Fox, KM (reprint author), Savannah River Natl Lab, Aiken, SC 29808 USA. OI Riley, Brian/0000-0002-7745-6730 NR 5 TC 0 Z9 0 U1 0 U2 1 PU AMER CERAMIC SOC PI WESTERVILLE PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA SN 1042-1122 BN 978-0-470-40848-3 J9 CERAM TRANS PY 2009 VL 207 BP 81 EP + DI 10.1002/9780470538371.ch9 PG 3 WC Environmental Sciences; Materials Science, Ceramics; Materials Science, Multidisciplinary SC Environmental Sciences & Ecology; Materials Science GA BTM13 UT WOS:000287270900009 ER PT S AU Pierce, EM Bacon, DH AF Pierce, E. M. Bacon, D. H. BE Cozzi, A Ohji, T TI ACCELERATED WEATHERING OF WASTE GLASS AT 90 degrees C WITH THE PRESSURIZED UNSATURATED FLOW (PUF) APPARATUS: IMPLICATIONS FOR PREDICTING GLASS CORROSION WITH A REACTIVE TRANSPORT MODEL SO ENVIRONMENTAL ISSUES AND WASTE MANAGEMENT TECHNOLOGIES IN THE MATERIALS AND NUCLEAR INDUSTRIES XII SE Ceramic Transactions LA English DT Proceedings Paper CT Materials Science and Technology Conference and Exhibition (MS&T 08) CY OCT 05-09, 2008 CL Pittsburgh, PA ID DISSOLUTION; RATES; PH AB The interest in the long-term durability of waste glass stems from the need to predict radionuclide release rates from the corroding waste form over geologic time-scales. Several long-term test methods have been developed to accelerate the glass-water reaction [drip test, vapor hydration test, product consistency test-B, and pressurized unsaturated flow (PUF)]. Currently, the PUF test is the only method that can mimic the unsaturated hydraulic properties expected in a subsurface disposal facility and simultaneously monitor the glass-water reaction. PUF tests are being conducted to accelerate the weathering of glass and validate the model parameters being used to predict long-term glass behavior. The model parameters are obtained by conducting a series of single-pass flow-through experiments and are used to parameterize the chemical affinity rate equation to predict the effect of rate influencing variables on glass dissolution. A one-dimensional reactive chemical transport simulations of glass dissolution and secondary phase formation during a 1.5-year long PUF experiment was conducted with the subsurface transport over reactive multi-phases (STORM) code. Results show that parameterization of the computer model by combining direct laboratory measurements and thermodynamic data provides an integrated approach to predicting glass behavior over geologic-time scales. The results from these bench-scale experiments will be extended to a set of field lysimeter experiments (i.e., experiments on buried glass at the Hanford Site) that have been in progress for 6 years on several glass specimens. C1 [Pierce, E. M.; Bacon, D. H.] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99354 USA. RP Pierce, EM (reprint author), Pacific NW Natl Lab, Energy & Environm Directorate, POB 999,MS K3-62, Richland, WA 99354 USA. EM Eric.Pierce@pnl.gov RI Pierce, Eric/G-1615-2011 OI Pierce, Eric/0000-0002-4951-1931 NR 28 TC 0 Z9 0 U1 0 U2 0 PU AMER CERAMIC SOC PI WESTERVILLE PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA SN 1042-1122 BN 978-0-470-40848-3 J9 CERAM TRANS PY 2009 VL 207 BP 141 EP 153 DI 10.1002/9780470538371.ch14 PG 13 WC Environmental Sciences; Materials Science, Ceramics; Materials Science, Multidisciplinary SC Environmental Sciences & Ecology; Materials Science GA BTM13 UT WOS:000287270900014 ER PT S AU Jantzen, CM Bibler, NE AF Jantzen, Carol M. Bibler, Ned E. BE Cozzi, A Ohji, T TI THE PRODUCT CONSISTENCY TEST (PCT): HOW AND WHY IT WAS DEVELOPED SO ENVIRONMENTAL ISSUES AND WASTE MANAGEMENT TECHNOLOGIES IN THE MATERIALS AND NUCLEAR INDUSTRIES XII SE Ceramic Transactions LA English DT Proceedings Paper CT Materials Science and Technology Conference and Exhibition (MS&T 08) CY OCT 05-09, 2008 CL Pittsburgh, PA ID LOW-ACTIVITY WASTE; GLASS AB The Product Consistency Test (PCT), American Society for Testing Materials (ASTM) Standard C1285, is currently used world wide for testing glass and glass-ceramic waste forms for high level waste (HLW), low level waste (LLW), and hazardous wastes. Development of the PCT was initiated in 1986 because HLW glass waste forms required extensive characterization before actual production began and required continued characterization during production (>= 25 years). Non-radioactive startup was in 1994 and radioactive startup was in 1996. The PCT underwent extensive development from 1986-1994 and became an ASTM consensus standard in 1994. During the extensive laboratory testing and inter- and intra-laboratory round robins using non-radioactive and radioactive glasses, the PCT was shown to be very reproducible, to yield reliable results rapidly, to distinguish between glasses of different durability and homogeneity, and to easily be performed in shielded cell facilities with radioactive samples. In 1997, the scope was broadened to include hazardous and mixed (radioactive and hazardous) waste glasses. In 2002, the scope was broadened to include glass-ceramic waste forms which are currently being recommended for second generation nuclear wastes yet to be generated in the nuclear renaissance. Since the PCT has proven useful for glass-ceramics with up to 75% ceramic component and has been used to evaluate Pu ceramic waste forms, the use of this test for other ceramic/mineral waste forms such as geopolymers, hydroceramics, and fluidized bed steam reformer mineralized product is under investigation. C1 [Jantzen, Carol M.; Bibler, Ned E.] Savannah River Natl Lab, Aiken, SC 29808 USA. RP Jantzen, CM (reprint author), Savannah River Natl Lab, Aiken, SC 29808 USA. NR 56 TC 1 Z9 1 U1 1 U2 6 PU AMER CERAMIC SOC PI WESTERVILLE PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA SN 1042-1122 BN 978-0-470-40848-3 J9 CERAM TRANS PY 2009 VL 207 BP 155 EP 167 DI 10.1002/9780470538371.ch15 PG 13 WC Environmental Sciences; Materials Science, Ceramics; Materials Science, Multidisciplinary SC Environmental Sciences & Ecology; Materials Science GA BTM13 UT WOS:000287270900015 ER PT J AU Breitbart, M Hoare, A Nitti, A Siefert, J Haynes, M Dinsdale, E Edwards, R Souza, V Rohwer, F Hollander, D AF Breitbart, Mya Hoare, Ana Nitti, Anthony Siefert, Janet Haynes, Matthew Dinsdale, Elizabeth Edwards, Robert Souza, Valeria Rohwer, Forest Hollander, David TI Metagenomic and stable isotopic analyses of modern freshwater microbialites in Cuatro CiEnegas, Mexico SO ENVIRONMENTAL MICROBIOLOGY LA English DT Review ID MODERN MARINE STROMATOLITES; SULFATE-REDUCING BACTERIA; LITHIFIED MICRITIC LAMINAE; CONCENTRATING MECHANISMS; CARBONATE PRECIPITATION; PHOSPHORUS ENRICHMENT; GRAZING SNAILS; SHARK BAY; COMMUNITIES; DIVERSITY AB Ancient biologically mediated sedimentary carbonate deposits, including stromatolites and other microbialites, provide insight into environmental conditions on early Earth. The primary limitation to interpreting these records is our lack of understanding regarding microbial processes and the preservation of geochemical signatures in contemporary microbialite systems. Using a combination of metagenomic sequencing and isotopic analyses, this study describes the identity, metabolic potential and chemical processes of microbial communities from living microbialites from Cuatro CiEnegas, Mexico. Metagenomic sequencing revealed a diverse, redox-dependent microbial community associated with the microbialites. The microbialite community is distinct from other marine and freshwater microbial communities, and demonstrates extensive environmental adaptation. The microbialite metagenomes contain a large number of genes involved in the production of exopolymeric substances and the formation of biofilms, creating a complex, spatially structured environment. In addition to the spatial complexity of the biofilm, microbial activity is tightly controlled by sensory and regulatory systems, which allow for coordination of autotrophic and heterotrophic processes. Isotopic measurements of the intracrystalline organic matter demonstrate the importance of heterotrophic respiration of photoautotrophic biomass in the precipitation of calcium carbonate. The genomic and stable isotopic data presented here significantly enhance our evolving knowledge of contemporary biomineralization processes, and are directly applicable to studies of ancient microbialites. C1 [Breitbart, Mya; Hoare, Ana; Nitti, Anthony; Hollander, David] Univ S Florida, Coll Marine Sci, St Petersburg, FL 33701 USA. [Siefert, Janet] Rice Univ, Dept Stat, Houston, TX 77251 USA. [Haynes, Matthew; Dinsdale, Elizabeth] San Diego State Univ, Dept Biol, San Diego, CA 92182 USA. [Dinsdale, Elizabeth] Flinders Univ S Australia, Dept Biol Sci, Adelaide, SA 5042, Australia. [Edwards, Robert] San Diego State Univ, Dept Comp Sci, San Diego, CA 92182 USA. [Edwards, Robert] Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. [Souza, Valeria] Univ Nacl Autonoma Mexico, Dept Ecol Evolut, Inst Ecol, Coyoacan 04510, Mexico. RP Breitbart, M (reprint author), Univ S Florida, Coll Marine Sci, St Petersburg, FL 33701 USA. EM mya@marine.usf.edu RI Breitbart, Mya/B-1366-2009 OI Breitbart, Mya/0000-0003-3210-2899 FU National Geographic Society; University of South Florida Internal Awards Program; Alfred P. Sloan Foundation [BR-4772]; National Science Foundation [DEB-BE 04-21955]; NASA Astrobiology VPL Team FX We would like to thank the Government of the State of Coahuila, the City of Cuatro Cienegas, Semarnat, CONANP, Pronatura Noreste and the people of Cuatro Cienegas, Mexico for welcoming us to their town and allowing us to sample the pozas. In particular, sampling would not have been possible without the assistance of Arturo Lerma and Alma Rosa Zertuche Flores. Thanks also go to Kent Allee, Camille Daniels, Luis Eguiarte, Dawn Goldsmith, Rodrigo Gonzalez, Neil Huddle, Neilan Kuntz, Karyna Rosario and Bob Siefert for assistance in sampling. The marine and freshwater metagenome datasets used for comparison were kindly provided by Mary Ann Moran and Linlin Li. This project was funded by grants to M. B. from the National Geographic Society, the University of South Florida Internal Awards Program and the Alfred P. Sloan Foundation (BR-4772), Grant DEB-BE 04-21955 to F. R. from the National Science Foundation and grants to J. S. from the NASA Astrobiology VPL Team. The metagenomic sequences have been deposited to the CAMERA database (http://camera.calit2.net/), NCBI (Rio Mesquites = 28 351; Pozas Azules II = 28 235) and the SEED (Rio Mesquites = 444060.3; Pozas Azules II = 444067.3). NR 106 TC 92 Z9 95 U1 2 U2 28 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1462-2912 EI 1462-2920 J9 ENVIRON MICROBIOL JI Environ. Microbiol. PD JAN PY 2009 VL 11 IS 1 BP 16 EP 34 DI 10.1111/j.1462-2920.2008.01725.x PG 19 WC Microbiology SC Microbiology GA 390FS UT WOS:000262150300002 PM 18764874 ER PT B AU Newby, DT Marlowe, EM Maier, RM AF Newby, Deborah T. Marlowe, Elizabeth M. Maier, Raina M. BA Maier, RM Pepper, IL Gerba, CP BF Maier, RM Pepper, IL Gerba, CP TI Nucleic Acid-Based Methods of Analysis SO ENVIRONMENTAL MICROBIOLOGY, 2ND EDITION LA English DT Article; Book Chapter ID 16S RIBOSOMAL-RNA; POLYMERASE-CHAIN-REACTION; CELL-CULTURE-PCR; GRADIENT GEL-ELECTROPHORESIS; GREEN FLUORESCENT PROTEIN; OLIGONUCLEOTIDE MICROARRAY; GENOME SEQUENCE; METAGENOMIC ANALYSIS; RHIZOBIUM-MELILOTI; PLASMID PROFILES C1 [Newby, Deborah T.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Maier, Raina M.] Univ Arizona, Dept Soil Water & Environm Sci, Tucson, AZ 85721 USA. RP Newby, DT (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA. NR 90 TC 1 Z9 1 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-08-091940-9; 978-0-12-370519-8 PY 2009 BP 243 EP 284 D2 10.1007/978-3-540-89768-2_5 PG 42 WC Environmental Sciences; Microbiology SC Environmental Sciences & Ecology; Microbiology GA BER06 UT WOS:000317823600014 ER PT J AU Newby, DT Pepper, IL Maier, RM AF Newby, Deborah T. Pepper, Ian L. Maier, Raina M. BA Maier, RM Pepper, IL Gerba, CP BF Maier, RM Pepper, IL Gerba, CP TI Microbial Transport SO ENVIRONMENTAL MICROBIOLOGY, 2ND EDITION LA English DT Article; Book Chapter ID LEGUMINOSARUM BIOVAR TRIFOLII; PSEUDOMONAS-FLUORESCENS; POROUS-MEDIA; BACTERIAL ADHESION; VIRUS ADSORPTION; GENE-TRANSFER; SOIL COLUMNS; WASTE-WATER; SURVIVAL; ENTEROVIRUSES C1 [Newby, Deborah T.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Newby, Deborah T.; Pepper, Ian L.; Maier, Raina M.] Univ Arizona, Dept Soil Water & Environm Sci, Tucson, AZ 85721 USA. RP Newby, DT (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA. NR 51 TC 0 Z9 0 U1 1 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-08-091940-9 PY 2009 BP 365 EP 383 D2 10.1007/978-3-540-89768-2_5 PG 19 WC Environmental Sciences; Microbiology SC Environmental Sciences & Ecology; Microbiology GA BER06 UT WOS:000317823600020 ER PT J AU Schenker, U Scheringer, M Sohn, MD Maddalena, RL McKone, TE Hungerbuhler, K AF Schenker, Urs Scheringer, Martin Sohn, Michael D. Maddalena, Randy L. McKone, Thomas E. Hungerbuehler, Konrad TI Using Information on Uncertainty to Improve Environmental Fate Modeling: A Case Study on DDT SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID SAMPLING-BASED METHODS; ORGANOCHLORINE PESTICIDES; SENSITIVITY-ANALYSIS; MULTIMEDIA MODELS; EVALUATIVE FATE; VARIABILITY; FUTURE; PROPAGATION; RESIDUES; TRENDS AB Present and future concentrations of DDT in the environment are calculated with the global multimedia model CliMoChem. Monte Carlo simulations are used to assess the importance of uncertainties in substance property data, emission rates, and environmental parameters for model results. Uncertainties in the model results, expressed as 95% confidence intervals of DDT concentrations in various environmental media, in different geographical locations, and at different points in time are typically between 1 and 2 orders of magnitude. An analysis of rank correlations between model inputs and predicted DDT concentrations indicates that emission estimates and degradation rate constants, in particular in the atmosphere, are the most influential model inputs. For DDT levels in the Arctic, temperature dependencies of substance properties are also influential parameters. A Bayesian Monte Carlo approach is used to update uncertain model inputs based on measurements of DDT in the field. The updating procedure suggests a lower value for half-life in air and a reduced range of uncertainty for K(OW) of DDT. As could be expected, the Bayesian updating yields model results that are closer to observations, and model uncertainties have decreased, Sensitivity analysis and Bayesian Monte Carlo approach in combination provide new insight into important processes that govern the global fate and persistence of DDT in the environment. C1 [Schenker, Urs; Scheringer, Martin; Hungerbuehler, Konrad] ETH, Inst Chem & Bioengn, CH-8093 Zurich, Switzerland. [Sohn, Michael D.; Maddalena, Randy L.; McKone, Thomas E.] Univ Calif Berkeley, Lawrence Berkeley Lab, Indoor Environm Dept, Berkeley, CA 94720 USA. [McKone, Thomas E.] Univ Calif Berkeley, Sch Publ Hlth, Berkeley, CA 94720 USA. RP Scheringer, M (reprint author), ETH, Inst Chem & Bioengn, CH-8093 Zurich, Switzerland. EM scheringer@chem.ethz.ch OI Schenker, Urs/0000-0002-9437-0904 FU U.S. Environmental Protection Agency through Interagency Agreement [DW-988-381.90-01-0]; U.S. Department of Energy [DE-AC02-05CH11231] FX We thank Fabio Wegmann and Matthew MacLeod for valuable comments. M.D.S., R.L.M., and T.E.M. were supported in part by the U.S. Environmental Protection Agency through Interagency Agreement DW-988-381.90-01-0 carried out through the U.S. Department of Energy contract Grant DE-AC02-05CH11231. NR 42 TC 25 Z9 27 U1 5 U2 34 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD JAN 1 PY 2009 VL 43 IS 1 BP 128 EP 134 DI 10.1021/es801161x PG 7 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 388JL UT WOS:000262016000024 PM 19209595 ER PT J AU Luo, W Gu, B AF Luo, Wensui Gu, Baohua TI Dissolution and Mobilization of Uranium in a Reduced Sediment by Natural Humic Substances under Anaerobic Conditions SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID ORGANIC-MATTER FRACTIONS; CONTAMINATED AQUIFER; MICROBIAL REDUCTION; COMPLEXATION; ACID; BIOREDUCTION; REOXIDATION; ADSORPTION; U(VI); IRON AB Biological reduction and precipitation of uranium (U) has been proposed as a remedial option for immobilizing uranium at contaminated sites, but the long-term stability and mobility of uranium remain a concern because the uranium is neither removed nor destroyed. In this study, the dissolution and mobilization of reduced and oxidized forms of uranium [U(IV) and U(VI)] by natural humic substances were investigated in batch and column-flow systems using a bioreduced sediment containing both U(IV) and U(VI). The addition of humic substances significantly increased the dissolution of U(IV) under anaerobic conditions. Humic acid (HA) was found to be more effective than fulvic acid (FA) in dissolving U(IV) in 1 mM KCI or KHCO(3) background solution. However, more U(VI) was dissolved in 1 mM KHCO(3) than in 1 mM KCI background electrolyte. HA also was found to be more effective than FA in mobilizing uranium under reducing and column-flow conditions, although the cumulative amount of eluted U(VI) and U(IV) was relatively low (< 60 mu g) after leaching with similar to 97 pore volumes of the humic solution in 1 mM KHCO(3). These observations suggest that natural humic substances could potentially influence the long-term stability of bioreduced U(IV) even under strongly reducing environments. C1 [Luo, Wensui; Gu, Baohua] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Gu, B (reprint author), Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA. EM gubl@ornl.gov RI Gu, Baohua/B-9511-2012 OI Gu, Baohua/0000-0002-7299-2956 FU Environmental Remediation Science Program; U.S. Department of Energy (DOE) FX This research was sponsored by the Environmental Remediation Science Program, Office of Biological and Environmental Research, U.S. Department of Energy (DOE). Oak Ridge National Laboratory is managed by UT-Battelle LLC for the U.S. DOE under Contract DE-AC05-00OR22725. NR 40 TC 29 Z9 31 U1 2 U2 35 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD JAN 1 PY 2009 VL 43 IS 1 BP 152 EP 156 DI 10.1021/es8013979 PG 5 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 388JL UT WOS:000262016000028 PM 19209599 ER PT J AU Denholm, P Margolis, RM Milford, JM AF Denholm, Paul Margolis, Robert M. Milford, James M. TI Quantifying Avoided Fuel Use and Emissions from Solar Photovoltaic Generation in the Western United States SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID ELECTRIC-POWER SYSTEMS; LIMITS; PV AB The electric power system in the Western United States was simulated to evaluate the potential of solar photovoltaics (PV) in reducing fossil-fuel use and associated emissions. The simulations used a utility production cost model to evaluate a series of PV penetrations where up to 10% of the region's electricity is derived from PV. The analysis focused on California, which uses gas for a large fraction of its generation and Colorado, which derives most of its electricity from coal. PV displaces gas and electricity imports almost exclusively in California, with a displacement rate of about 6000-9000 kJ per kWh of PV energy generated. In Colorado, PV offsets mostly gas at low penetration, with increasing coal displacement during nonsummer months and at higher penetration. Associated reductions in CO(2), NO(x), and SO(2) emissions are also calculated. C1 [Denholm, Paul; Margolis, Robert M.; Milford, James M.] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Denholm, P (reprint author), Natl Renewable Energy Lab, 1617 Cole Blvd, Golden, CO 80401 USA. EM paul_denholm@nrel.gov FU National Renewable Energy Laboratory [PVB76401] FX This work was supported by the National Renewable Energy Laboratory under task number PVB76401. We acknowledge Ray George for assistance in processing the solar radiation data set. NR 22 TC 11 Z9 11 U1 1 U2 7 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD JAN 1 PY 2009 VL 43 IS 1 BP 226 EP 232 DI 10.1021/es801216y PG 7 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 388JL UT WOS:000262016000040 PM 19209611 ER PT J AU Checco, A AF Checco, A. TI Non-linear elasticity of a liquid contact line SO EPL LA English DT Article ID ANGLE HYSTERESIS; SURFACES; DYNAMICS AB By using energy minimization computations we study the distortion of a wetting contact line pinned on a single defect. We find that the elastic restoring force of the line depends non-linearly on the amplitude of the distortion and we estimate the anharmonic corrections to the linear elastic model. These results suggest the importance of non-linear effects in the problem of contact line pinning. Copyright (C) EPLA, 2009 C1 Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. RP Checco, A (reprint author), Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. EM checco@bnl.gov FU U.S. DOE [DE-AC02-98CH10886] FX The author acknowledges valuable discussions with K. Brakke. This work is supported by the U.S. DOE under contract No. DE-AC02-98CH10886. NR 13 TC 3 Z9 3 U1 2 U2 4 PU EPL ASSOCIATION, EUROPEAN PHYSICAL SOCIETY PI MULHOUSE PA 6 RUE DES FRERES LUMIERE, MULHOUSE, 68200, FRANCE SN 0295-5075 J9 EPL-EUROPHYS LETT JI EPL PD JAN PY 2009 VL 85 IS 1 AR 16002 DI 10.1209/0295-5075/85/16002 PG 4 WC Physics, Multidisciplinary SC Physics GA 411ZH UT WOS:000263692500020 ER PT J AU Chen, H Ren, Y Qiu, Y Bao, W Liu, RH Wu, G Wu, T Xie, YL Wang, XF Huang, Q Chen, XH AF Chen, H. Ren, Y. Qiu, Y. Bao, Wei Liu, R. H. Wu, G. Wu, T. Xie, Y. L. Wang, X. F. Huang, Q. Chen, X. H. TI Coexistence of the spin-density wave and superconductivity in Ba1-xKxFe2As2 SO EPL LA English DT Article ID LAYERED QUATERNARY COMPOUND; GAPS AB The relation between the spin-density wave (SDW) and superconducting order is a central topic in the current research on the FeAs-basedhigh-T-C superconductors. Conflicting results exist in the LaFeAs(O,F)-class of materials, for which whether the SDW and superconductivity are mutually exclusive or they can coexist has not been settled. Here we show that for the (Ba, K) Fe2As2 system, the SDW and superconductivity can coexist in an extended range of compositions. The availability of single crystalline samples and high value of the energy gaps would make the materials a model system to investigate the high-T-C ferropnictide superconductivity. Copyright (C) EPLA, 2009 C1 [Chen, H.; Liu, R. H.; Wu, G.; Wu, T.; Xie, Y. L.; Wang, X. F.; Chen, X. H.] Univ Sci & Technol China, Hefei Natl Lab Phys Sci Microscale, Hefei 230026, Anhui, Peoples R China. [Chen, H.; Liu, R. H.; Wu, G.; Wu, T.; Xie, Y. L.; Wang, X. F.; Chen, X. H.] Univ Sci & Technol China, Dept Phys, Hefei 230026, Anhui, Peoples R China. [Ren, Y.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Qiu, Y.; Huang, Q.] NIST, Ctr Neutron Res, Gaithersburg, MD 20899 USA. [Qiu, Y.] Univ Maryland, Dept Mat Sci & Engn, College Pk, MD 20742 USA. [Bao, Wei] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Bao, W (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. EM wbao@lanl.gov; chenxh@ustc.edu.cn RI Bao, Wei/E-9988-2011; Wang, Xiangfeng/I-2848-2014; Liu, Ronghua/A-9790-2013 OI Bao, Wei/0000-0002-2105-461X; Wang, Xiangfeng/0000-0001-9845-1659; Liu, Ronghua/0000-0002-4053-3923 FU Nature Science Foundation of China; Ministry of Science and Technology of China [2006CB601001]; National Basic Research Program of China [2006CB922005]; U.S. DOE-OS-BES; U.S. DOE-OS-BES [DE-AC02-06CH11357] FX The work at USTC is supported by the Nature Science Foundation of China and by the Ministry of Science and Technology of China (973 project No. 2006CB601001) and by the National Basic Research Program of China (2006CB922005); at LANL by U.S. DOE-OS-BES; at ANL by U.S. DOE-OS-BES under Contract No. DE-AC02-06CH11357. NR 27 TC 256 Z9 261 U1 5 U2 59 PU EPL ASSOCIATION, EUROPEAN PHYSICAL SOCIETY PI MULHOUSE PA 6 RUE DES FRERES LUMIERE, MULHOUSE, 68200, FRANCE SN 0295-5075 EI 1286-4854 J9 EPL-EUROPHYS LETT JI EPL PD JAN PY 2009 VL 85 IS 1 AR 17006 DI 10.1209/0295-5075/85/17006 PG 5 WC Physics, Multidisciplinary SC Physics GA 411ZH UT WOS:000263692500027 ER PT J AU Connolly, MR Milosevic, MV Bending, SJ Clem, JR Tamegai, T AF Connolly, M. R. Milosevic, M. V. Bending, S. J. Clem, J. R. Tamegai, T. TI Continuum vs. discrete flux behaviour in large mesoscopic Bi2Sr2CaCu2O8+delta disks SO EPL LA English DT Article ID PHASE-TRANSITIONS; SUPERCONDUCTORS AB Scanning Hall probe and local Hall magnetometry measurements have been used to investigate flux distributions in large mesoscopic superconducting disks with sizes that lie near the crossover between the bulk and mesoscopic vortex regimes. Results obtained by directly mapping the magnetic induction profiles of the disks at different applied fields can be quite successfully fitted to analytic models which assume a continuous distribution of flux in the sample. At low fields, however, we do observe clear signatures of the underlying discrete vortex structure and can resolve the characteristic mesoscopic compression of vortex clusters in increasing magnetic fields. Even at higher fields, where single-vortex resolution is lost, we are still able to track configurational changes in the vortex patterns, since competing vortex orders impose unmistakable signatures on "local" magnetisation curves as a function of the applied field. Our observations are in excellent agreement with molecular-dynamics numerical simulations which lead us to a natural definition of the lengthscale for the crossover between discrete and continuum behaviours in our system. Copyright (C) EPLA, 2009 C1 [Connolly, M. R.; Milosevic, M. V.; Bending, S. J.] Univ Bath, Dept Phys, Bath BA2 7AY, Avon, England. [Milosevic, M. V.] Univ Antwerp, Dept Fys, B-2020 Antwerp, Belgium. [Clem, J. R.] Iowa State Univ, Ames Lab, Dept Phys & Astron, Ames, IA 50011 USA. [Tamegai, T.] Univ Tokyo, Dept Appl Phys, Bunkyo Ku, Tokyo 1138656, Japan. RP Connolly, MR (reprint author), Univ Bath, Dept Phys, Bath BA2 7AY, Avon, England. EM Milorad.Milosevic@ua.ac.be RI Tamegai, Tsuyoshi /C-6656-2011; Milosevic, Milorad/H-9393-2012; CMT, UAntwerpen Group/A-5523-2016 FU EPSRC-UK [GR/D034264/1]; Royal Society through an International Joint Project [2005/R1]; University of Bath; Department of Energy - Basic Energy Sciences [DEAC02-07CH11358] FX This work was supported by EPSRC-UK under grant No. GR/D034264/1 and the Royal Society through an International Joint Project No. 2005/R1. MVM is a Marie-Curie Intra-European Fellow at the University of Bath. JRC acknowledges support by the Department of Energy - Basic Energy Sciences under Contract No. DEAC02-07CH11358. TT acknowledges support from JSPS bilateral cooperative program. NR 17 TC 12 Z9 12 U1 0 U2 2 PU EPL ASSOCIATION, EUROPEAN PHYSICAL SOCIETY PI MULHOUSE PA 6 RUE DES FRERES LUMIERE, MULHOUSE, 68200, FRANCE SN 0295-5075 J9 EPL-EUROPHYS LETT JI EPL PD JAN PY 2009 VL 85 IS 1 AR 17008 DI 10.1209/0295-5075/85/17008 PG 6 WC Physics, Multidisciplinary SC Physics GA 411ZH UT WOS:000263692500029 ER PT J AU Gooch, M Lv, B Tapp, JH Tang, Z Lorenz, B Guloy, AM Chu, PCW AF Gooch, M. Lv, B. Tapp, J. H. Tang, Z. Lorenz, B. Guloy, A. M. Chu, P. C. W. TI Pressure shift of the superconducting T-c of LiFeAs SO EPL LA English DT Article ID LAYERED QUATERNARY COMPOUND; 43 K; LAO1-XFXFEAS; CRYSTAL AB The effect of hydrostatic pressure on the superconductivity in LiFeAs is investigated up to 1.8GPa. The superconducting transition temperature, T-c, decreases linearly with pressure at a rate of 1.5K/GPa. The negative pressure coefficient of T-c and the high ambient pressure T-c indicate that LiFeAs is the high-pressure analogue of the isoelectronic SrFe2As2 and BaFe2As2. Copyright (C) EPLA, 2009 C1 [Gooch, M.; Lv, B.; Tapp, J. H.; Tang, Z.; Lorenz, B.; Guloy, A. M.; Chu, P. C. W.] Univ Houston, TCSUH, Houston, TX 77204 USA. [Gooch, M.; Lorenz, B.; Chu, P. C. W.] Univ Houston, Dept Phys, Houston, TX 77204 USA. [Lv, B.; Tapp, J. H.; Tang, Z.; Guloy, A. M.] Univ Houston, Dept Chem, Houston, TX 77204 USA. [Chu, P. C. W.] Hong Kong Univ Sci & Technol, Hong Kong, Hong Kong, Peoples R China. [Chu, P. C. W.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Gooch, M (reprint author), Univ Houston, TCSUH, Houston, TX 77204 USA. EM blorenz@uh.edu RI Lv, Bing/E-3485-2010 FU T. L. L. Temple Foundation; J. J. and R. Moores Endowment; State of Texas through TCSUH; USAF Office of Scientific Research; LBNL through USDOE; NSF [CHE-0616805]; R. A. Welch Foundation FX This work is supported in part by the T. L. L. Temple Foundation, the J. J. and R. Moores Endowment, the State of Texas through TCSUH, the USAF Office of Scientific Research, and at LBNL through USDOE. Support from the NSF (CHE-0616805) and the R. A. Welch Foundation is gratefully acknowledged. NR 24 TC 42 Z9 42 U1 2 U2 17 PU EPL ASSOCIATION, EUROPEAN PHYSICAL SOCIETY PI MULHOUSE PA 6 RUE DES FRERES LUMIERE, MULHOUSE, 68200, FRANCE SN 0295-5075 J9 EPL-EUROPHYS LETT JI EPL PD JAN PY 2009 VL 85 IS 2 AR 27005 DI 10.1209/0295-5075/85/27005 PG 3 WC Physics, Multidisciplinary SC Physics GA 411ZL UT WOS:000263692900029 ER PT J AU Shivamoggi, BK AF Shivamoggi, B. K. TI Hall magnetohydrodynamics near an X-type magnetic neutral line SO EPL LA English DT Article ID CURRENT-SHEET FORMATION; LARGE SYSTEMS; TEARING MODE; RECONNECTION; FLUID; FIELD; COLLISIONLESS; MAGNETOTAIL; DISSIPATION; INSTABILITY AB Hall magnetohydrodynamics (MHD) near a two-dimensional (2D) X-type magnetic neutral line is considered. The Hall effects are shown to be able to sustain the hyperbolicity of the magneticfield (and hence a more open X-point configuration) near the neutral line in the steady state. This result is predicated on considering the steady Hall MHD state as the temporal asymptotic limit of the corresponding time-dependent problem. For the time-dependent Hall MHD problem, the Hall effects are shown to have a negligible impact on the current-sheet formation process near the X-type magnetic neutral line at short times but, subsequently, to quench the finite-time singularity exhibited in ideal MHD and, hence to prevent the plasma collapse, in consistency with the sustenance of the hyperbolicity of the magneticfield in the corresponding steady problem. Copyright (C) EPLA, 2009 C1 [Shivamoggi, B. K.] Univ Cent Florida, Orlando, FL 32816 USA. RP Shivamoggi, BK (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM bhimsens@mail.ucf.edu NR 36 TC 3 Z9 3 U1 0 U2 0 PU EDP SCIENCES S A PI LES ULIS CEDEX A PA 17, AVE DU HOGGAR, PA COURTABOEUF, BP 112, F-91944 LES ULIS CEDEX A, FRANCE SN 0295-5075 J9 EPL-EUROPHYS LETT JI EPL PD JAN PY 2009 VL 85 IS 2 AR 25001 DI 10.1209/0295-5075/85/25001 PG 5 WC Physics, Multidisciplinary SC Physics GA 411ZL UT WOS:000263692900017 ER PT B AU Zhu, YH Somasundaram, S Kemp, JW AF Zhu, Yunhua Somasundaram, Sriram Kemp, James W. GP ASME TI ENERGY AND EXERGY ANALYSIS OF GASIFIER-BASED COAL-TO-FUEL SYSTEMS SO ES2008: PROCEEDINGS OF THE 2ND INTERNATIONAL CONFERENCE ON ENERGY SUSTAINABILITY - 2008, VOL 1 LA English DT Proceedings Paper CT 2nd International Conference on Energy Sustainability CY AUG 10-14, 2008 CL Jacksonville, FL SP ASME, Adv Energy Syst Div, ASME, Solar Energy Div DE Energy; Exergy; Simulation; Gasification; Fischer-Tropsch ID GASIFICATION AB Interests in coal-to-liquid (CTL) and other fuels have grown greatly in the last Couple of years with steadily increasing oil prices. National energy security concerns related to liquid transportation fuels also have revived interests in alternative liquid fuel Sources. Coal-to-fuel technologies feature high efficiency energy conversion and environmental advantages. While a number of factors are driving coal-to-fuel projects forward, there are several barriers to wide commercialization, such as financial, construction, operation, and technical risks. The purpose of this study is to investigate the performance features of CTL and other coal-to-fuel systems based on different gasification technologies. The target products are Fischer-Tropsch (F-T) crude and synthesis natural gas (SNG). Two types of entrained-flow gasifier based coal-to-fuel systems are simulated and their performance features are discussed. One is single-stage water quench (WQ) cooling entrained-flow gasifier, and another is two-stage syngas cooling (SC) entrained-flow gasifier. The conservation of energy (first law of thermodynamics) and the quality of energy (second law of thermodynamics) for the systems are both investigated. The results of exergy analysis provide insights about the potential targets for technology improvement. The features of different gasifier-based coal-to-fuel systems are discussed. The results provide information about the research and development priorities in future. C1 [Zhu, Yunhua; Somasundaram, Sriram; Kemp, James W.] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA. RP Zhu, YH (reprint author), Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA. NR 30 TC 0 Z9 0 U1 0 U2 6 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4319-2 PY 2009 BP 321 EP 330 PG 10 WC Energy & Fuels; Engineering, Mechanical SC Energy & Fuels; Engineering GA BJG40 UT WOS:000265637200038 ER PT B AU Harvego, EA McKellar, MG Sohal, MS O'Brien, JE Herring, JS AF Harvego, E. A. McKellar, M. G. Sohal, M. S. O'Brien, J. E. Herring, J. S. GP ASME TI ECONOMIC ANALYSIS OF A NUCLEAR REACTOR POWERED HIGH-TEMPERATURE ELECTROLYSIS HYDROGEN PRODUCTION PLANT SO ES2008: PROCEEDINGS OF THE 2ND INTERNATIONAL CONFERENCE ON ENERGY SUSTAINABILITY - 2008, VOL 1 LA English DT Proceedings Paper CT 2nd International Conference on Energy Sustainability CY AUG 10-14, 2008 CL Jacksonville, FL SP ASME, Adv Energy Syst Div, ASME, Solar Energy Div ID PERFORMANCE; ENERGY AB A reference design for a commercial-scale high-temperature electrolysis (HTE) plant for hydrogen production was developed to provide a basis for comparing the HTE concept with other hydrogen production concepts. The reference plant design is driven by a high-temperature helium-cooled nuclear reactor coupled to a direct Brayton power cycle. The reference design reactor power is 600 MW, with a primary system pressure of 7.0 MPa, and reactor inlet and outlet fluid temperatures of 540 degrees C and 900 degrees C, respectively. The electrolysis unit used to produce hydrogen includes 4,009,177 cells with a per-cell active area of 225 cm(2). The optimized design for the reference hydrogen production plant operates at a system pressure of 5.0 MPa, and utilizes an air-sweep system to remove the excess oxygen that is evolved on the anode (oxygen) side of the electrolyzer. The inlet air for the air-sweep system is compressed to the system operating pressure of 5.0 MPa in a four-stage compressor with intercooling. The altemating-current (AC) to direct-current (DC) conversion efficiency is 96%. The overall system thermal-to-hydrogen production efficiency (based on the lower heating value of the produced hydrogen) is 47.1% at a hydrogen production rate of 2.356 kg/s. An economic analysis of this plant was performed using the standardized H2A Analysis Methodology developed by the Department of Energy (DOE) Hydrogen Program, and using realistic financial and cost estimating assumptions. The results of the economic analysis demonstrated that the HTE hydrogen production plant driven by a high-temperature helium-cooled nuclear power plant can deliver hydrogen at a competitive cost. A cost of $3.23/kg of hydrogen was calculated assuming an internal rate of return of 10%. C1 [Harvego, E. A.; McKellar, M. G.; Sohal, M. S.; O'Brien, J. E.; Herring, J. S.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Harvego, EA (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA. NR 17 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4319-2 PY 2009 BP 549 EP 558 PG 10 WC Energy & Fuels; Engineering, Mechanical SC Energy & Fuels; Engineering GA BJG40 UT WOS:000265637200063 ER PT B AU Hendricks, TJ AF Hendricks, Terry J. GP ASME TI MICROTECHNOLOGY-A KEY TO SYSTEM MINIATURIZATION IN ADVANCED ENERGY RECOVERY & CONVERSION SYSTEMS SO ES2008: PROCEEDINGS OF THE 2ND INTERNATIONAL CONFERENCE ON ENERGY SUSTAINABILITY, VOL 2 LA English DT Proceedings Paper CT 2nd International Conference on Energy Sustainability CY AUG 10-14, 2008 CL Jacksonville, FL SP ASME, Adv Energy Syst Div, ASME, Solar Energy Div AB Energy recovery is gaining importance in various transportation, industrial process, and military applications because of rising energy costs and geopolitical uncertainties impacting basic energy supplies. Various advanced energy recovery/conversion technologies will require high-performance heat transfer characteristics to achieve energy recovery performance targets and requirements. System analysis of thermoelectric (TE) systems quantify potential power output, conversion efficiency, specific power and power flux in a unique, useful format on maximum efficiency - power maps. Lines constant specific power and power flux and their relationship to lines of constant hot side temperature and points of maximum power are demonstrated. Regions of preferred TE design are associated with not only higher conversion efficiency, but higher specific power and power flux that drives TE conversion designs towards use of microtechnology Solutions. Water and He gas microchannel designs are investigated as potential solutions to achieve miniature TE energy recovery systems. Developing high-heat-flux thermal designs using microtechnology are key to enabling miniature energy recovery systems and should Occur in parallel with ongoing research in advanced energy conversion materials. C1 Pacific NW Natl Lab, Hydrocarbon Proc Grp, Energy & Environm Directorate, Richland, WA 99352 USA. RP Hendricks, TJ (reprint author), Pacific NW Natl Lab, Hydrocarbon Proc Grp, Energy & Environm Directorate, 902 Battelle Blvd, Richland, WA 99352 USA. NR 16 TC 0 Z9 0 U1 0 U2 1 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4320-8 PY 2009 BP 153 EP 163 PG 11 WC Energy & Fuels; Engineering, Mechanical SC Energy & Fuels; Engineering GA BJF83 UT WOS:000265479400016 ER PT B AU Siegel, N Kolb, G AF Siegel, Nathan Kolb, Greg GP ASME TI DESIGN AND ON-SUN TESTING OF A SOLID PARTICLE RECEIVER PROTOTYPE SO ES2008: PROCEEDINGS OF THE 2ND INTERNATIONAL CONFERENCE ON ENERGY SUSTAINABILITY, VOL 2 LA English DT Proceedings Paper CT 2nd International Conference on Energy Sustainability CY AUG 10-14, 2008 CL Jacksonville, FL SP ASME, Adv Energy Syst Div, ASME, Solar Energy Div AB A prototype direct absorption central receiver. called the solid particle receiver (SPIR), was recently built and tested on-sun at Sandia National Laboratories. The SPR consists of a 6 m tall cavity through which a I m wide curtain of spherical ceramic particles is dropped and directly heated with concentrated solar energy. The focus of this current effort is to provide an experimental basis for the validation of computational models that have been created to support the development of the solid particle receiver as a solar interface for thermochemical hydrogen and solar power systems. In this paper we present detailed information on the design and construction of the receiver as well as test data including the temperature change of the particles and internal cavity walls. We conclude with a discussion of the steps needed to demonstrate the overall feasibility of the SPR concept. C1 [Siegel, Nathan; Kolb, Greg] Sandia Natl Labs, Solar Technol Dept, Albuquerque, NM 87185 USA. RP Siegel, N (reprint author), Sandia Natl Labs, Solar Technol Dept, POB 5800, Albuquerque, NM 87185 USA. NR 15 TC 3 Z9 3 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4320-8 PY 2009 BP 329 EP 334 PG 6 WC Energy & Fuels; Engineering, Mechanical SC Energy & Fuels; Engineering GA BJF83 UT WOS:000265479400035 ER PT B AU Kotter, DK Novack, SD Slafer, WD Pinhero, P AF Kotter, Dale K. Novack, Steven D. Slafer, W. Dennis Pinhero, Patrick GP ASME TI SOLAR NANTENNA ELECTROMAGNETIC COLLECTORS SO ES2008: PROCEEDINGS OF THE 2ND INTERNATIONAL CONFERENCE ON ENERGY SUSTAINABILITY, VOL 2 LA English DT Proceedings Paper CT 2nd International Conference on Energy Sustainability CY AUG 10-14, 2008 CL Jacksonville, FL SP ASME, Adv Energy Syst Div, ASME, Solar Energy Div DE Nantenna; Frequency Selective Surfaces; nanoscale modeling; nano-fabrication; nantennas AB This research explores a new efficient approach for producing electricity from the abundant energy of the sun. A nantenna electromagnetic collector (NEC) has been designed, prototyped, and tested. Proof of concept has been validated. The NEC devices target mid-infrared wavelengths., where conventional photovoltaic (PV) solar cells are inefficient and where there is an abundance of solar energy. The initial concept of designing NEC was based on scaling, of radio frequency antenna theory. This approach has proven unsuccessful by many due to not fully understanding and accounting for the optical behavior of materials in the THz region. Also, until recent years the nanofabrication methods were not available to fabricate the optical antenna elements. We have addressed and overcome both technology barriers. Several factors were critical in successful implementation of NEC including: 1) frequency-dependent modeling of antenna elements; 2) selection of materials with proper THz properties; and 3) novel manufacturing methods that enable economical large-scale manufacturing. The work represents an important step toward the ultimate realization of a low-cost device that will collect, as well as convert this radiation into electricity, which will lead to a wide spectrum, high conversion efficiency, and low-cost Solution to complement conventional PVs. C1 [Kotter, Dale K.; Novack, Steven D.] Idaho Natl Lab, Idaho Falls, ID USA. RP Kotter, DK (reprint author), Idaho Natl Lab, Idaho Falls, ID USA. NR 9 TC 1 Z9 1 U1 0 U2 7 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4320-8 PY 2009 BP 409 EP 415 PG 7 WC Energy & Fuels; Engineering, Mechanical SC Energy & Fuels; Engineering GA BJF83 UT WOS:000265479400045 ER PT B AU Andraka, CE AF Andraka, Charles E. GP ASME TI COST/PERFORMANCE TRADEOFFS FOR REFLECTORS USED IN SOLAR CONCENTRATING DISH SYSTEMS SO ES2008: PROCEEDINGS OF THE 2ND INTERNATIONAL CONFERENCE ON ENERGY SUSTAINABILITY, VOL 2 LA English DT Proceedings Paper CT 2nd International Conference on Energy Sustainability CY AUG 10-14, 2008 CL Jacksonville, FL SP ASME, Adv Energy Syst Div, ASME, Solar Energy Div AB Concentrating Solar Power (CSP) dish systems use a parabolic dish to concentrate sunlight, providing heat for a thermodynamic cycle to generate shaft power and ultimately, electricity. Currently, leading contenders use a Stirling cycle engine with a heat absorber surface at about 800 degrees C. The concentrated light passes through an aperture, which controls the thermal losses of the receiver system. Similar systems may use the concentrated light to heat a thermochemical process. The concentrator system, typically steel and glass, provides a source of fuel over the service life of the system, but this source of fuel manifests as a capital cost up front. Therefore, it is imperative that the cost of the reflector assembly is minimized. However, dish systems typically concentrate light to a peak of as much as 13,000 suns, with an average geometric concentration ratio of over 3000 suns. Several recent dish-Stirling systems have incorporated reflector facets with a normally-distributed surface slope error (local distributed waviness) of 0.8 mrad RMS (1-sigma error). As systems move toward commercialization, the cost of these highly accurate facets must be assessed. However, when considering lower-cost options, any decrease in the performance of the facets must be considered in the evaluation of such facets. In this paper, I investigate the impact of randomly-distributed slope errors on the performance, and therefore the value, of a typical dish-Stirling system. There are many potential sources of error in a concentrating system. When considering facet options, the surface waviness, characterized as a normally-distributed slope error, has the greatest impact on the aperture size and therefore the thermal losses. I develop an optical model and a thermal model for the performance of a baseline system. I then analyze the impact on system performance for a range of mirror quality, and evaluate the impact Of Such performance changes on the economic value of the system. This approach can be used to guide the evaluation of low-cost facets that differ in performance and cost. The methodology and results arc applicable to other point- and line-focus thermal systems including dish-Brayton, dish-Thermochemical, tower systems, and troughs. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Andraka, CE (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 30 TC 0 Z9 0 U1 2 U2 6 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4320-8 PY 2009 BP 505 EP 513 PG 9 WC Energy & Fuels; Engineering, Mechanical SC Energy & Fuels; Engineering GA BJF83 UT WOS:000265479400056 ER PT B AU Bradshaw, RW Siegel, NP AF Bradshaw, Robert W. Siegel, Nathan P. GP ASME TI MOLTEN NITRATE SALT DEVELOPMENT FOR THERMAL ENERGY STORAGE IN PARABOLIC TROUGH SOLAR POWER SYSTEMS SO ES2008: PROCEEDINGS OF THE 2ND INTERNATIONAL CONFERENCE ON ENERGY SUSTAINABILITY, VOL 2 LA English DT Proceedings Paper CT 2nd International Conference on Energy Sustainability CY AUG 10-14, 2008 CL Jacksonville, FL SP ASME, Adv Energy Syst Div, ASME, Solar Energy Div ID MELTS AB Thermal energy storage can enhance the utility of parabolic trough solar power plants by providing the ability to match electrical Output to peak demand periods. An important component of thermal energy storage system optimization is selecting the working fluid used as the storage media and/or heat transfer fluid. Large quantities of the working fluid are required for power plants at the scale of 100-MW, so maximizing heat transfer fluid performance while minimizing material cost is important. This paper reports recent developments of multi-component molten salt formulations consisting of common alkali nitrate and alkaline earth nitrate salts that have advantageous properties for applications as heat transfer fluids in parabolic trough systems. A primary disadvantage of molten salt heat transfer fluids is relatively high freeze-onset temperature compared to organic heat transfer oil. Experimental results are reported for formulations of inorganic molten salt mixtures that display freeze-onset temperatures below 100 degrees C. In addition to phase-change behavior, several properties of these molten salts that significantly affect their Suitability as thermal energy storage fluids were evaluated, including chemical stability and viscosity. These alternative molten salts have demonstrated chemical stability in the presence of air up to approximately 500 degrees C in laboratory testing and display chemical equilibrium behavior similar to Solar Salt. The capability to operate at temperatures up to 500 degrees C may allow an increase in maximum temperature operating capability vs. organic fluids in existing trough systems and will enable increased power cycle efficiency. Experimental measurements of viscosity were performed from near the freeze-onset temperature to about 200 degrees C. Viscosities can exceed 100 cP at the lowest temperature but are less than 10 cP in the primary temperature range at which the mixtures would be used in a thermal energy storage system. Quantitative cost figures of constituent salts and blends are not currently available, although, these molten salt mixtures are expected to be inexpensive compared to synthetic organic heat transfer fluids. Experiments are in progress to confirm that the corrosion behavior of readily available alloys is satisfactory for long-term use. C1 [Bradshaw, Robert W.] Sandia Natl Labs, Livermore, CA 94551 USA. RP Bradshaw, RW (reprint author), Sandia Natl Labs, POB 969, Livermore, CA 94551 USA. NR 17 TC 5 Z9 5 U1 1 U2 10 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4320-8 PY 2009 BP 631 EP 637 PG 7 WC Energy & Fuels; Engineering, Mechanical SC Energy & Fuels; Engineering GA BJF83 UT WOS:000265479400070 ER PT B AU Friedman, B Bird, L Barbose, G AF Friedman, Barry Bird, Lori Barbose, Galen GP ASME TI ENERGY SAVINGS CERTIFICATE MARKETS: OPPORTUNITIES AND IMPLEMENTATION BARRIERS SO ES2009: PROCEEDINGS OF THE ASME 3RD INTERNATIONAL CONFERENCE ON ENERGY SUSTAINABILITY, VOL 1 LA English DT Proceedings Paper CT 3rd International Conference on Energy Sustainability CY JUL 19-23, 2009 CL San Francisco, CA SP ASME, Adv Energy Syst Div, ASME, Solar Energy Div DE energy efficiency; energy savings certificates; white certificates; white tags; efficiency market; carbon; renewable energy certificates AB Early experiences with energy savings certificates (ESCs) have revealed their merits and the challenges associated with them. While in the United States ESC markets have yet to gain significant traction, lessons can be drawn from early experiences in the states of Connecticut and New York, as well as from established markets in Italy, France, and elsewhere. The staying power of European examples demonstrates that ESCs can help initiate more efficiency projects. This article compares ESCs with renewable energy certificates (RECs), looks at the unique opportunities and challenges they present, and reviews solutions and best practices demonstrated by early ESC markets. Three major potential ESC market types are also reviewed: compliance, voluntary, and carbon. Additionally, factors that will benefit ESC markets in the United States are examined: new state EEPS policies, public interest in tools to mitigate climate change, and the growing interest in a voluntary market for ESCs. C1 [Friedman, Barry; Bird, Lori] Natl Renewable Energy Lab, Golden, CO USA. RP Friedman, B (reprint author), Natl Renewable Energy Lab, Golden, CO USA. NR 14 TC 0 Z9 0 U1 0 U2 1 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4889-0 PY 2009 BP 1 EP 11 PG 11 WC Engineering, Mechanical SC Engineering GA BQV06 UT WOS:000281910700001 ER PT B AU Doris, EB Busche, S Hockett, S Loring, JM AF Doris, Elizabeth Brown Busche, Sarah Hockett, Stephen Loring, Joyce McLaren GP ASME TI THE ROLE OF STATE POLICY IN RENEWABLE ENERGY DEVELOPMENT SO ES2009: PROCEEDINGS OF THE ASME 3RD INTERNATIONAL CONFERENCE ON ENERGY SUSTAINABILITY, VOL 1 LA English DT Proceedings Paper CT 3rd International Conference on Energy Sustainability CY JUL 19-23, 2009 CL San Francisco, CA SP ASME, Adv Energy Syst Div, ASME, Solar Energy Div AB State policies can support renewable energy development by driving markets, providing certainty in the investment market, and incorporating the external benefits of the technologies into cost/benefit calculations. Using statistical analyses and policy design best practices, this paper quantifies the impact of state-level policies on renewable energy development in order to better understand the role of policy on development and inform policy makers on the policy mechanisms that provide maximum benefit. The results include the identification of connections between state policies and renewable energy development, as well as a discussion placing state policy efforts in context with other factors that influence the development of renewable energy (e.g. federal policy, resource availability, technology cost, public acceptance). C1 [Doris, Elizabeth Brown; Busche, Sarah; Hockett, Stephen; Loring, Joyce McLaren] Natl Renewable Energy Lab, Golden, CO USA. RP Doris, EB (reprint author), Natl Renewable Energy Lab, Golden, CO USA. NR 48 TC 0 Z9 0 U1 0 U2 2 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4889-0 PY 2009 BP 21 EP 31 PG 11 WC Engineering, Mechanical SC Engineering GA BQV06 UT WOS:000281910700003 ER PT B AU Dean, J Kandt, A Burman, K Lisell, L Helm, C AF Dean, Jesse Kandt, Alicen Burman, Kari Lisell, Lars Helm, Christopher GP ASME TI ANALYSIS OF WEB-BASED SOLAR PHOTOVOLTAIC MAPPING TOOLS SO ES2009: PROCEEDINGS OF THE ASME 3RD INTERNATIONAL CONFERENCE ON ENERGY SUSTAINABILITY, VOL 1 LA English DT Proceedings Paper CT 3rd International Conference on Energy Sustainability CY JUL 19-23, 2009 CL San Francisco, CA SP ASME, Adv Energy Syst Div, ASME, Solar Energy Div AB As the demand for renewable energy has grown, so too has the need to quantify the potential for these resources. Understanding the potential for a particular energy source can help inform policy decisions, educate consumers, drive technological development, increase manufacturing capacity, and improve marketing methods. In response to the desire to better understand the potential of clean energy technologies, several approaches have been developed to help inform decisions. One technology-specific example is the use of solar photovoltaic (PV) maps. A solar PV mapping tool visually represents a specific site and calculates PV system size and projected electricity production. This paper identifies the commercially available solar mapping tools and provides a thorough summary of the source data type and resolution, the visualization software program being used, user inputs, calculation methodology and algorithms, map outputs, and development costs for each map. C1 [Dean, Jesse; Kandt, Alicen; Burman, Kari; Lisell, Lars; Helm, Christopher] Natl Renewable Energy Lab, Golden, CO USA. RP Dean, J (reprint author), Natl Renewable Energy Lab, Golden, CO USA. NR 12 TC 0 Z9 0 U1 0 U2 1 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4889-0 PY 2009 BP 85 EP 96 PG 12 WC Engineering, Mechanical SC Engineering GA BQV06 UT WOS:000281910700010 ER PT B AU Jalalzadeh-Azar, AA AF Jalalzadeh-Azar, Ali A. GP ASME TI DISTRIBUTED HYDROGEN TECHNOLOGIES FOR COMMERCIAL BUILDINGS AND VEHICLE REFUELING SO ES2009: PROCEEDINGS OF THE ASME 3RD INTERNATIONAL CONFERENCE ON ENERGY SUSTAINABILITY, VOL 1 LA English DT Proceedings Paper CT 3rd International Conference on Energy Sustainability CY JUL 19-23, 2009 CL San Francisco, CA SP ASME, Adv Energy Syst Div, ASME, Solar Energy Div AB This paper examines the potential energy, environmental, and economic benefits of hydrogen-based distributed generation (DG) systems with dual application-commercial buildings and vehicle refueling. The selected DG systems incorporate fuel cell technologies for power generation and natural gas reformation for hydrogen production. In addition to basic systems, more advanced configurations facilitating heat recovery for the reformer and the building heating equipment are considered. Integration of stationary and transportation applications within the context of a commercial community is also explored on the premise of utilizing a joint hydrogen production facility for cost reduction. While appreciable improvement in greenhouse gas (GHG) emissions is evidently intrinsic to all selected stationary DG models, a significant reduction in the primary energy use is achieved with the more-advanced systems, particularly the one with internal heat recovery. A negligible impact on the water consumption is registered when water management is in place for the fuel cell systems. The integration strategy highlighting the community buildings as the surrogate supplier of hydrogen for vehicle refueling is more tenable from the economic standpoint than the reversed arrangement. C1 Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Jalalzadeh-Azar, AA (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. NR 12 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4889-0 PY 2009 BP 195 EP 204 PG 10 WC Engineering, Mechanical SC Engineering GA BQV06 UT WOS:000281910700023 ER PT B AU Chen, KS Hogan, RE AF Chen, Ken S. Hogan, Roy E. GP ASME TI A TWO-PHASE MODEL FOR SOLAR THERMOCHEMICAL WATER SPLITTING WITH FeO/Fe3O4 SO ES2009: PROCEEDINGS OF THE ASME 3RD INTERNATIONAL CONFERENCE ON ENERGY SUSTAINABILITY, VOL 1 LA English DT Proceedings Paper CT 3rd International Conference on Energy Sustainability CY JUL 19-23, 2009 CL San Francisco, CA SP ASME, Adv Energy Syst Div, ASME, Solar Energy Div AB A two-phase, multi-dimensional, multi-physics computational model based on the finite-element method is presented for simulating the solar thermochemical water splitting process in which hydrogen gas is produced from steam. The model takes into account heat transfer, gas-phase diffusion and advection of neutral species in open channels and through pores of the porous reactant layer, solid-state transport of charged species, and redox chemical reactions. Preliminary results (temperature distribution, velocity field, and species concentration) computed from the gas-phase transport dominating (i.e., resistance to solid-state transport is taken to be negligible) regime are presented to illustrate the utility of the model. Efforts are underway to improve the present first-generation model by incorporating solid-state transport with more realistic kinetic model, internal radiation, reactant-layer support, and temperature-dependent properties. C1 [Chen, Ken S.; Hogan, Roy E.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Chen, KS (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM rehogan@sandia.gov NR 11 TC 0 Z9 0 U1 1 U2 1 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4889-0 PY 2009 BP 261 EP 268 PG 8 WC Engineering, Mechanical SC Engineering GA BQV06 UT WOS:000281910700031 ER PT B AU Walker, A AF Walker, Andy GP ASME TI AN HEURISTIC APPROACH TO RENEWABLE ENERGY OPTIMIZATION SO ES2009: PROCEEDINGS OF THE ASME 3RD INTERNATIONAL CONFERENCE ON ENERGY SUSTAINABILITY, VOL 1 LA English DT Proceedings Paper CT 3rd International Conference on Energy Sustainability CY JUL 19-23, 2009 CL San Francisco, CA SP ASME, Adv Energy Syst Div, ASME, Solar Energy Div AB An analytical approach is often taken to predict the performance of renewable energy systems at a site, but an analytic approach requires detailed information on the system to be modeled that is better determined during schematic design than guessed-at during pre-design. This paper describes a heuristic approach to identify and prioritize renewable energy project opportunities before detailed system information is available. The method determines the combination of renewable energy technologies that minimize life-cycle cost at a facility, often with a specified goal regarding percent of energy use from renewable sources. Technologies include: photovoltaics (PV); wind; solar thermal heat and electric; solar ventilation air preheating; solar water heating; biomass heat and electric (combustion, gasification, pyrolysis, anaerobic digestion); and daylighting. The method rests upon the National Renewable Energy Laboratory's (NREL) capabilities in: characterizing of the empirical cost and performance of technologies; geographic information systems (GIS) resource assessment; and life-cycle cost analysis. For each technology, simple heuristic algorithms relate renewable energy resources at a site to annual energy delivery with coefficients that are determined empirically. Initial cost and operation and maintenance (O&M) cost also use empirical data. Economic performance is then calculated with a site's utility rates and incentives. The paper discusses how to account for the way candidate technologies interact with each other, and the solver routine used to determine the combination that minimizes life-cycle cost. Results include optimal sizes of each technology, initial cost, operating cost, and life-cycle cost, including incentives from utilities or governments. Results inform early planning to identify and prioritize projects at a site for subsequent engineering and economic feasibility study. Case studies include industrial sites, military bases, and civic buildings. C1 Natl Renewable Energy Lab, Golden, CO USA. RP Walker, A (reprint author), Natl Renewable Energy Lab, Golden, CO USA. NR 8 TC 1 Z9 1 U1 0 U2 5 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4889-0 PY 2009 BP 419 EP 426 PG 8 WC Engineering, Mechanical SC Engineering GA BQV06 UT WOS:000281910700051 ER PT B AU Aichlmayr, HT Van Blarigan, P AF Aichlmayr, Hans T. Van Blarigan, Peter GP ASME TI MODELING AND EXPERIMENTAL CHARACTERIZATION OF A PERMANENT MAGNET LINEAR ALTERNATOR FOR FREE-PISTON ENGINE APPLICATIONS SO ES2009: PROCEEDINGS OF THE ASME 3RD INTERNATIONAL CONFERENCE ON ENERGY SUSTAINABILITY, VOL 1 LA English DT Proceedings Paper CT 3rd International Conference on Energy Sustainability CY JUL 19-23, 2009 CL San Francisco, CA SP ASME, Adv Energy Syst Div, ASME, Solar Energy Div ID SYSTEMS AB Sandia National Laboratories is developing a prototype 30 kW free-piston internal-combustion-based linear generator for vehicular applications. This paper describes the development and experimental validation of a mathematical model for the permanent magnet linear alternator that will be used by the prototype. A magnetic-flux versus mover-position function is used to correlate individual coil fluxes to the motion of the mover This function is derived from a finite element electromagnetic simulation of the linear alternator The mathematical model of the alternator is compared to experiments with prototype hardware driving 0.5-2 kW loads; excellent correspondence to measured voltage and current waveforms is found. C1 [Van Blarigan, Peter] Sandia Natl Labs, Livermore, CA 94550 USA. RP Van Blarigan, P (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. EM aichlmayr1@llnl.gov; pvanbla@sandia.gov NR 18 TC 1 Z9 1 U1 0 U2 2 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4889-0 PY 2009 BP 761 EP 770 PG 10 WC Engineering, Mechanical SC Engineering GA BQV06 UT WOS:000281910700093 ER PT B AU Heath, GA Hsu, DD Inman, D Aden, A Mann, MK AF Heath, Garvin A. Hsu, David D. Inman, Daniel Aden, Andy Mann, Margaret K. GP ASME TI LIFE CYCLE ASSESSMENT OF THE ENERGY INDEPENDENCE AND SECURITY ACT OF 2007: ETHANOL - GLOBAL WARMING POTENTIAL AND ENVIRONMENTAL EMISSIONS SO ES2009: PROCEEDINGS OF THE ASME 3RD INTERNATIONAL CONFERENCE ON ENERGY SUSTAINABILITY, VOL 1 LA English DT Proceedings Paper CT 3rd International Conference on Energy Sustainability CY JUL 19-23, 2009 CL San Francisco, CA SP ASME, Adv Energy Syst Div, ASME, Solar Energy Div ID HARVEST C1 [Heath, Garvin A.; Hsu, David D.; Mann, Margaret K.] Natl Renewable Energy Lab, Strateg Energy Anal Ctr, Golden, CO USA. RP Heath, GA (reprint author), Natl Renewable Energy Lab, Strateg Energy Anal Ctr, Golden, CO USA. NR 23 TC 0 Z9 0 U1 0 U2 1 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4889-0 PY 2009 BP 857 EP 861 PG 5 WC Engineering, Mechanical SC Engineering GA BQV06 UT WOS:000281910700105 ER PT B AU Hendron, R Hancock, E Barker, G McDowell, T AF Hendron, Robert Hancock, Ed Barker, Greg McDowell, Tim GP ASME TI EVALUATION OF A HIGH-PERFORMANCE MULTIFAMILY RESIDENTIAL BUILDING IN ASPEN, COLORADO SO ES2009: PROCEEDINGS OF THE ASME 3RD INTERNATIONAL CONFERENCE ON ENERGY SUSTAINABILITY, VOL 2 LA English DT Proceedings Paper CT 3rd International Conference on Energy Sustainability CY JUL 19-23, 2009 CL San Francisco, CA SP ASME, Adv Energy Syst Div, ASME, Solar Energy Div AB Multifamily housing is an essential component of urban sustainable design, because finite available urban space necessitates greater use of attached housing and shared community spaces. Improving the energy efficiency of this category of housing presents special challenges, because units share walls and the space heating and domestic hot water systems are frequently centralized, requiring recirculation and long pipe runs to reach all units. These challenges were investigated as part of the first phase of a high-performance multifamily housing community called Burlingame Ranch in Aspen, Colorado. The first phase of the project has been completed, and features such energy efficiency measures as insulated slab-on-grade foundations, condensing boilers, solar preheat for hot water, heat recovery ventilation, and energy-efficient lighting and appliances. The authors participated in a thorough evaluation of key building systems for one prototype building and provided insights into potential design improvements that can be implemented in the second phase of construction. C1 [Hendron, Robert] Natl Renewable Energy Lab, Golden, CO USA. RP Hendron, R (reprint author), Natl Renewable Energy Lab, Golden, CO USA. NR 6 TC 0 Z9 0 U1 1 U2 5 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4890-6 PY 2009 BP 329 EP 340 PG 12 WC Engineering, Mechanical SC Engineering GA BQV53 UT WOS:000281966900038 ER PT B AU Hendron, R Burch, J Hoeschele, M Rainer, L AF Hendron, Robert Burch, Jay Hoeschele, Marc Rainer, Leo GP ASME TI POTENTIAL FOR ENERGY SAVINGS THROUGH RESIDENTIAL HOT WATER DISTRIBUTION SYSTEM IMPROVEMENTS SO ES2009: PROCEEDINGS OF THE ASME 3RD INTERNATIONAL CONFERENCE ON ENERGY SUSTAINABILITY, VOL 2 LA English DT Proceedings Paper CT 3rd International Conference on Energy Sustainability CY JUL 19-23, 2009 CL San Francisco, CA SP ASME, Adv Energy Syst Div, ASME, Solar Energy Div AB Hot water distribution systems have received a great deal of attention recently, as residential energy efficiency programs target measures that can drive whole-house energy savings beyond the 50% level. Unfortunately, evaluating distribution losses and the resulting thermal interactions with space conditioning loads is very complicated, and must be performed using advanced simulation tools and realistic hot water event schedules, including appropriate event volumes, draw sequencing, and time between draw events. The authors developed a simplified methodology for the analysis of distribution losses based on detailed modeling of alternative system designs using HWSIM, a model specifically designed for this application. Curve fits were then applied to the results so they could be extrapolated to many different house designs and climate regions. The authors also performed preliminary analysis of whole house energy effects of alternate hot water distribution systems in two climates. C1 [Hendron, Robert; Burch, Jay] Natl Renewable Energy Lab, Golden, CO USA. RP Hendron, R (reprint author), Natl Renewable Energy Lab, Golden, CO USA. NR 23 TC 1 Z9 1 U1 0 U2 1 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4890-6 PY 2009 BP 341 EP 350 PG 10 WC Engineering, Mechanical SC Engineering GA BQV53 UT WOS:000281966900039 ER PT B AU Siegel, N Diver, R Miller, JE Garino, T Livers, S AF Siegel, Nathan Diver, Richard Miller, James E. Garino, Terry Livers, Stephanie GP ASME TI REACTIVE STRUCTURES FOR TWO-STEP THERMOCHEMICAL CYCLES BASED ON NON-VOLATILE METAL OXIDES SO ES2009: PROCEEDINGS OF THE ASME 3RD INTERNATIONAL CONFERENCE ON ENERGY SUSTAINABILITY, VOL 2 LA English DT Proceedings Paper CT 3rd International Conference on Energy Sustainability CY JUL 19-23, 2009 CL San Francisco, CA SP ASME, Adv Energy Syst Div, ASME, Solar Energy Div ID SOLAR HYDROGEN-PRODUCTION AB Metal-oxide based thermochemical cycles, such as those including a class of iron containing materials commonly known as ferrites, involve two reaction steps: a thermal reduction at temperatures up to 1600 degrees C driven by a solar energy input, and a lower temperature exothermic oxidation in the presence of either carbon dioxide or water. In order to maximize performance, the reactive materials must be arranged into structures that provide an effective interface for the direct absorption of concentrated solar energy and also have relatively high surface area to support rapid chemical reactions. In this paper we discuss the attributes of reactive structures for solar thermochemical processes as well as some of the fabrication techniques currently under development at Sandia National Labs. One of these structures has been demonstrated on-sun in a two step carbon dioxide splitting cycle. The results, given in this paper, indicate that performance may be improved as the fraction of the total directly illuminated surface area is increased, reducing the need to rely on conduction or convection to distribute heat throughout the material. C1 [Siegel, Nathan; Diver, Richard; Miller, James E.; Garino, Terry; Livers, Stephanie] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Siegel, N (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM npsiege@sandia.gov RI Dom, Rekha/B-7113-2012; Miller, James/C-1128-2011 OI Miller, James/0000-0001-6811-6948 NR 15 TC 2 Z9 2 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4890-6 PY 2009 BP 431 EP 437 PG 7 WC Engineering, Mechanical SC Engineering GA BQV53 UT WOS:000281966900049 ER PT B AU Ho, CK Kolb, GJ AF Ho, Clifford K. Kolb, Gregory J. GP ASME TI INCORPORATING UNCERTAINTY INTO PROBABILISTIC PERFORMANCE MODELS OF CONCENTRATING SOLAR POWER PLANTS SO ES2009: PROCEEDINGS OF THE ASME 3RD INTERNATIONAL CONFERENCE ON ENERGY SUSTAINABILITY, VOL 2 LA English DT Proceedings Paper CT 3rd International Conference on Energy Sustainability CY JUL 19-23, 2009 CL San Francisco, CA SP ASME, Adv Energy Syst Div, ASME, Solar Energy Div AB A method for applying probabilistic models to concentrating solar thermal power plants is described in this paper. Benefits of using probabilistic models include quantification of uncertainties inherent in the system and characterization of their impact on system performance and economics. Sensitivity studies using stepwise regression analysis can identify and rank the most important parameters and processes as a means to prioritize future research and activities. The probabilistic method begins with the identification of uncertain variables and the assignment of appropriate distributions for those variables. Those parameters are then sampled using a stratified method (Latin Hypercube Sampling) to ensure complete and representative sampling from each distribution. Existing models of performance, reliability, and cost are then simulated multiple times using the sampled set of parameters. The results yield a cumulative distribution function that can be used to quantify the probability of exceeding (or being less than) a particular value. Two examples, a simple cost model and a more detailed performance model of a hypothetical 100 MW(e) power tower, are provided to illustrate the methods. C1 [Ho, Clifford K.; Kolb, Gregory J.] Sandia Natl Labs, Solar Technol Dept, Albuquerque, NM 87185 USA. RP Ho, CK (reprint author), Sandia Natl Labs, Solar Technol Dept, POB 5800, Albuquerque, NM 87185 USA. EM ckho@sandia.gov NR 19 TC 0 Z9 0 U1 0 U2 2 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4890-6 PY 2009 BP 533 EP 542 PG 10 WC Engineering, Mechanical SC Engineering GA BQV53 UT WOS:000281966900061 ER PT B AU Ho, CK Khalsa, SS Siegel, NP AF Ho, Clifford K. Khalsa, Siri S. Siegel, Nathan P. GP ASME TI MODELING ON-SUN TESTS OF A PROTOTYPE SOLID PARTICLE RECEIVER FOR CONCENTRATING SOLAR POWER PROCESSES AND STORAGE SO ES2009: PROCEEDINGS OF THE ASME 3RD INTERNATIONAL CONFERENCE ON ENERGY SUSTAINABILITY, VOL 2 LA English DT Proceedings Paper CT 3rd International Conference on Energy Sustainability CY JUL 19-23, 2009 CL San Francisco, CA SP ASME, Adv Energy Syst Div, ASME, Solar Energy Div ID REACTOR AB A model has been developed to simulate the performance of a prototype solid particle receiver that was recently tested at Sandia National Laboratories. The model includes irradiation from the concentrated solar flux, two-band re-radiation and emission with the cavity, discrete-phase particle transport and heat transfer, gas-phase convection, wall conduction, and radiative and convective heat losses. Simulated temperatures of the particles and cavity walls were compared to measured values for nine on-sun tests. Results showed that the simulated temperature distributions and receiver efficiencies matched closely with trends in experimental data as a function of input power and particle mass flow rate. The average relative error between the simulated and measured efficiencies and increases in particle temperature was less than 10%. Simulations of particle velocities and concentrations as a function of position beneath the release point were also evaluated and compared to measured values collected during unheated tests with average relative errors of 6% and 8%, respectively. The calibrated model is being used in parametric analyses to better understand the impact and interactions of multiple parameters with a goal of optimizing the performance and efficiency of the solid particle receiver. C1 [Ho, Clifford K.; Khalsa, Siri S.; Siegel, Nathan P.] Sandia Natl Labs, Solar Technol Dept, Albuquerque, NM 87185 USA. RP Ho, CK (reprint author), Sandia Natl Labs, Solar Technol Dept, POB 5800, Albuquerque, NM 87185 USA. EM ckho@sandia.gov NR 16 TC 6 Z9 6 U1 0 U2 1 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4890-6 PY 2009 BP 543 EP 550 PG 8 WC Engineering, Mechanical SC Engineering GA BQV53 UT WOS:000281966900062 ER PT B AU Bharathan, D Glatzmaier, GC AF Bharathan, Desikan Glatzmaier, Greg C. GP ASME TI PROGRESS IN THERMAL ENERGY STORAGE MODELING SO ES2009: PROCEEDINGS OF THE ASME 3RD INTERNATIONAL CONFERENCE ON ENERGY SUSTAINABILITY, VOL 2 LA English DT Proceedings Paper CT 3rd International Conference on Energy Sustainability CY JUL 19-23, 2009 CL San Francisco, CA SP ASME, Adv Energy Syst Div, ASME, Solar Energy Div AB Economic analyses for concentrated solar power (CSP) systems indicate that the cost of electricity can be reduced through the use a molten-salt thermal energy storage system (TES). Use of a thermocline in the tanks to keep cold and hot fluids separate in the tank has been proposed to further reduce the cost for TES to about $30/kWh thermal. This paper studies the details for molten-salt storage where the tank is filled with nominally 1-inch-size quartzite rocks and 1/4-inch sand particles. These filler materials are envisioned to occupy 75% of the tank's volume. Experiments at Sandia National Laboratories indicate that these filler materials are compatible with the molten salt, and a well-established thermocline can be maintained in these tanks. The National Renewable Energy Laboratory attempts to look into the next level for the tank design, modeling heat transfer between solid filler and molten salt. Loose filler materials exert added hoop stresses in the tank that are likely to be unmanageable in the long run because of thermal cycling. Structured brick-like stacked shapes are needed that can maintain their structure without requiring sidewall support for the fill material. Large tanks with a volumetric capacity of 100,000 kL maintain a reasonable thermocline during charge and discharge. We report on progress in computational fluid dynamics (CFD) modeling of such tanks. However, for operational convenience for the plant, we suggest the use of multiple tanks. C1 [Bharathan, Desikan; Glatzmaier, Greg C.] Natl Renewable Energy Lab, Golden, CO USA. RP Bharathan, D (reprint author), Natl Renewable Energy Lab, Golden, CO USA. NR 7 TC 1 Z9 1 U1 1 U2 5 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4890-6 PY 2009 BP 597 EP 603 PG 7 WC Engineering, Mechanical SC Engineering GA BQV53 UT WOS:000281966900069 ER PT B AU Wagner, MJ Klein, SA Reindl, DT AF Wagner, Michael J. Klein, Sanford A. Reindl, Douglas T. GP ASME TI SIMULATION OF UTILITY-SCALE CENTRAL RECEIVER SYSTEM POWER PLANTS SO ES2009: PROCEEDINGS OF THE ASME 3RD INTERNATIONAL CONFERENCE ON ENERGY SUSTAINABILITY, VOL 2 LA English DT Proceedings Paper CT 3rd International Conference on Energy Sustainability CY JUL 19-23, 2009 CL San Francisco, CA SP ASME, Adv Energy Syst Div, ASME, Solar Energy Div DE Power tower; concentrating solar power; CSP; DELSOL3; PTGEN; optimization; detailed modeling; TRNSYS; Fortran; part-load; solar power; solar electric; SAM; Solar Advisor Model AB The operation of solar energy systems is necessarily transient. Over the lifetime of a concentrating solar power plant, the system operates at design conditions only occasionally, with the bulk of operation occurring under part-load conditions depending on solar resource availability. Credible economic analyses of solar-electric systems requires versatile models capable of predicting system performance at both design and off-design conditions. This paper introduces new and adapted simulation tools for power tower systems including models for the heliostat field, central receiver, and the power cycle. The design process for solar power tower systems differs from that for other concentrating solar power (CSP) technologies such as the parabolic trough or parabolic dish systems that are nearly modular in their design. The design of an optimum power tower system requires a determination of the heliostat field layout and receiver geometry that results in the greatest long-term energy collection per unit cost. Research presented in this paper makes use of the DELSOL3 code (Kistler, 1986) which provides this capability. An interface program called PTGEN was developed to simplify the combined use of DELSOL3 and TRNSYS. The final product integrates the optimization tool with the detailed component models to provide a comprehensive modeling tool set for the power tower technology. C1 [Wagner, Michael J.] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Wagner, MJ (reprint author), Natl Renewable Energy Lab, 1617 Cole Blvd, Golden, CO 80401 USA. EM Michael.Wagner@nrel.gov NR 15 TC 0 Z9 0 U1 2 U2 6 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4890-6 PY 2009 BP 605 EP 614 PG 10 WC Engineering, Mechanical SC Engineering GA BQV53 UT WOS:000281966900070 ER PT B AU Bradshaw, RW Cordaro, JG Siegel, NP AF Bradshaw, Robert W. Cordaro, Joseph G. Siegel, Nathan P. GP ASME TI MOLTEN NITRATE SALT DEVELOPMENT FOR THERMAL ENERGY STORAGE IN PARABOLIC TROUGH SOLAR POWER SYSTEMS SO ES2009: PROCEEDINGS OF THE ASME 3RD INTERNATIONAL CONFERENCE ON ENERGY SUSTAINABILITY, VOL 2 LA English DT Proceedings Paper CT 3rd International Conference on Energy Sustainability CY JUL 19-23, 2009 CL San Francisco, CA SP ASME, Adv Energy Syst Div, ASME, Solar Energy Div ID NANO3-KNO3; MELTS AB Multi-component molten salts have been formulated recently that may enhance thermal energy storage for parabolic trough solar power plants. This paper presents further developments regarding molten salt mixtures consisting of common alkali nitrates and either alkaline earth nitrates or alkali nitrite salts that have advantageous properties for applications as heat transfer fluids in parabolic trough systems. We report results for formulations of inorganic molten salt mixtures that display freeze-onset temperatures below 100 degrees C. In addition to phase-change behavior, several properties of these molten salts that significantly affect their suitability as thermal energy storage fluids were evaluated, including chemical stability and viscosity. The nitrate-based molten salts have demonstrated chemical stability in the presence of air up to 500 degrees C. The capability to operate at temperatures up to 500 degrees C may allow an increase in maximum temperature operating capability vs. organic fluids in existing trough systems and will enable increased power cycle efficiency. Experimental measurements of viscosity were performed from near the freeze-onset temperature to about 200 degrees C. Viscosities can exceed 100 cP near the freezing temperature but are 4 to 5 cP in the anticipated operating temperature range. Experimental measurements of density, thermal conductivity and heat capacity are in progress and will be reported at the meeting. Corrosion tests were conducted for several thousand hours at 500 degrees C with stainless steels and at 350 degrees C for carbon and chromium-molybdenum steels. Examination of the specimens demonstrated good compatibility of these materials with the molten nitrate salt mixtures. Laboratory studies were conducted to identify mixtures of nitrate and nitrite (NO(2)(-)) salts as additional candidates for a low-melting heat transfer fluid. Mixtures in which the cations were potassium, sodium and lithium, in various proportions, demonstrated freezing points as low as 70 degrees C for a particular nitrate/nitrite anion composition. Development has emphasized mixtures that minimize lithium content in order to reduce the cost as the lithium salt is the most expensive constituent. Work is in progress to explore the phase diagram of the 1:1 mol ratio of nitrate/nitrite and to evaluate physical properties such as viscosity, density and thermal conductivity. Results to date indicate that the viscosity of these mixtures is considerably less than nitrate-only melts, which necessarily contain calcium cations to suppress freezing to similarly low temperatures. C1 [Bradshaw, Robert W.] Sandia Natl Labs, Livermore, CA 94551 USA. RP Bradshaw, RW (reprint author), Sandia Natl Labs, POB 969, Livermore, CA 94551 USA. NR 22 TC 5 Z9 5 U1 2 U2 13 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4890-6 PY 2009 BP 615 EP 624 PG 10 WC Engineering, Mechanical SC Engineering GA BQV53 UT WOS:000281966900071 ER PT B AU Andraka, CE Sadlon, S Myer, B Trapeznikov, K Liebner, C AF Andraka, Charles E. Sadlon, Scott Myer, Brian Trapeznikov, Kirill Liebner, Christina GP ASME TI RAPID REFLECTIVE FACET CHARACTERIZATION USING FRINGE REFLECTION TECHNIQUES SO ES2009: PROCEEDINGS OF THE ASME 3RD INTERNATIONAL CONFERENCE ON ENERGY SUSTAINABILITY, VOL 2 LA English DT Proceedings Paper CT 3rd International Conference on Energy Sustainability CY JUL 19-23, 2009 CL San Francisco, CA SP ASME, Adv Energy Syst Div, ASME, Solar Energy Div AB Mirror facets for Concentrating Solar Power (CSP) systems have stringent requirements on slope accuracy in order to provide adequate system performance. This paper presents a newly developed tool that can characterize facets quickly enough for 100% inspection on a production line. A facet for a CSP system, specifically a dish concentrator, has a parabolic design shape. This shape will concentrate near-parallel rays from the sun to a point (or a line for trough systems). Deviations of surface slope from the design shape impact the performance of the system, either losing power that misses the target, or increasing peak fluxes to undesirable levels. Three types of facet slope errors can impact performance. The first is a focal length error, typically caused by springback in the facet forming process. In this case, the wavelength of the error exceeds the size of the facet, resulting in a parabola, but with the wrong focal length. The results in a slope error that is largely systematic across the facet when the measured slope is compared to the design slope. A second shape error, in which the period of the error is on the order of the length of the facet, manifests also as a systematic slope error. In this case, the facet deviates from a parabolic shape, but can be modeled with a higher order curve. Finally, the residual errors after a model is proposed are usually lumped through a Root Mean Square (RMS) process and characterized as the 1-sigma variation of a normal distribution. This usually characterizes the small-scale imperfections in the facet, and is usually called "slope error". However, all of these deviations from design are in facet errors in the slope of the manufactured facet. The reported characterization system, named SOFAST (Sandia Optical Fringe Analysis Slope Tool) has a computer-connected camera that images the reflective surface, which is positioned so that it views the reflection of an active target, such as an LCD screen. A series of fringe patterns are displayed on the screen while images are captured. Using the captured information, the reflected target location of each pixel of mirror viewed can be determined, and thus through a mathematical transformation, the surface normal map can be developed. This is then fitted to the selected model equation, and the errors from design are characterized. The reported system currently characterizes point focus mirrors (for dish systems), but extensions to line focus facets are planned. While similar approaches have been explored, several key developments are presented here. The combination of the display, capture, and data reduction in one system allows rapid capture and data reduction. An "electronic boresight" approach is developed accommodating physical equipment positioning errors, making the system insensitive to setup errors. A very large number of points are determined on each facet, providing significant detail as to the location and character of the errors. The system is developed in Mat Lab, providing intimate interactions with the data as techniques and applications are developed. Finally, while commercial systems typically resolve the data to shape determination, this system concentrates on slope characterization and reporting, which is tailored to the solar applications. This system can be used for facet analysis during development. However, the real payoff is in production, where complete analysis is performed in about 10 seconds. With optimized coding, this could be further reduced. C1 [Andraka, Charles E.; Sadlon, Scott; Myer, Brian; Trapeznikov, Kirill; Liebner, Christina] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Andraka, CE (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 24 TC 2 Z9 2 U1 1 U2 3 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4890-6 PY 2009 BP 643 EP 653 PG 11 WC Engineering, Mechanical SC Engineering GA BQV53 UT WOS:000281966900074 ER PT B AU Glatzmaier, GC Turchi, CS AF Glatzmaier, Greg C. Turchi, Craig S. GP ASME TI SUPERCRITICAL CO(2) AS A HEAT TRANSFER AND POWER CYCLE FLUID FOR CSP SYSTEMS SO ES2009: PROCEEDINGS OF THE ASME 3RD INTERNATIONAL CONFERENCE ON ENERGY SUSTAINABILITY, VOL 2 LA English DT Proceedings Paper CT 3rd International Conference on Energy Sustainability CY JUL 19-23, 2009 CL San Francisco, CA SP ASME, Adv Energy Syst Div, ASME, Solar Energy Div C1 [Glatzmaier, Greg C.; Turchi, Craig S.] Natl Renewable Energy Lab, Elect Resources & Bldg Syst Integrat Ctr, Golden, CO USA. RP Glatzmaier, GC (reprint author), Natl Renewable Energy Lab, Elect Resources & Bldg Syst Integrat Ctr, Golden, CO USA. NR 12 TC 1 Z9 1 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4890-6 PY 2009 BP 673 EP 676 PG 4 WC Engineering, Mechanical SC Engineering GA BQV53 UT WOS:000281966900077 ER PT B AU Heath, G Turchi, C Decker, T Burkhardt, J Kutscher, C AF Heath, Garvin Turchi, Craig Decker, Terese Burkhardt, John Kutscher, Chuck GP ASME TI LIFE CYCLE ASSESSMENT OF THERMAL ENERGY STORAGE: TWO-TANK INDIRECT AND THERMOCLINE SO ES2009: PROCEEDINGS OF THE ASME 3RD INTERNATIONAL CONFERENCE ON ENERGY SUSTAINABILITY, VOL 2 LA English DT Proceedings Paper CT 3rd International Conference on Energy Sustainability CY JUL 19-23, 2009 CL San Francisco, CA SP ASME, Adv Energy Syst Div, ASME, Solar Energy Div C1 [Heath, Garvin; Burkhardt, John] Natl Renewable Energy Lab, Strateg Energy Anal Ctr, Golden, CO USA. RP Heath, G (reprint author), Natl Renewable Energy Lab, Strateg Energy Anal Ctr, Golden, CO USA. NR 7 TC 3 Z9 3 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4890-6 PY 2009 BP 689 EP 690 PG 2 WC Engineering, Mechanical SC Engineering GA BQV53 UT WOS:000281966900080 ER PT B AU Barkley, WC Jacobs, LD Rutherford, MC AF Barkley, Walter C. Jacobs, Laura D. Rutherford, Mandy C. GP ASME TI Structural Health Monitoring of Wind Turbine Blades SO ES2009: PROCEEDINGS OF THE ASME 3RD INTERNATIONAL CONFERENCE ON ENERGY SUSTAINABILITY, VOL 2 LA English DT Proceedings Paper CT 3rd International Conference on Energy Sustainability CY JUL 19-23, 2009 CL San Francisco, CA SP ASME, Adv Energy Syst Div, ASME, Solar Energy Div AB Wind Turbine blade failures can occur in several modes, which may depend on the type of construction and load history. Cracking and delamination are two typical modes of blade failure (Fig. 1). A structural health monitoring (SHM) system can help to better understand warranty costs and warranty periods for the blades in wind turbines and predict imminent failure before it occurs. Currently, industry best practices are to increase the number of physical inspections when blades are approaching the end of their fatigue lives. Implementation of an in situ monitoring system would eliminate or greatly reduce the need for such physical inspections. Another benefit of such a monitoring system is that the life of any given component could be extended since real conditions would be monitored. The SHM system is designed to operate while the wind turbine is in service. This means that wireless communication options will be implemented. Because blade failures occur due to cyclic stresses in the blade material, the sensing system will focus on monitoring strain at various points. This paper describes a design and implementation scheme for a real time structural health monitoring system in order to better understand when blade replacement is necessary. Although not described in this research, the same concepts can also be applied to gearbox damage detection. C1 [Barkley, Walter C.] Los Alamos Natl Lab, Los Alamos, NM USA. RP Barkley, WC (reprint author), Los Alamos Natl Lab, Los Alamos, NM USA. NR 18 TC 0 Z9 0 U1 0 U2 3 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4890-6 PY 2009 BP 1047 EP 1058 PG 12 WC Engineering, Mechanical SC Engineering GA BQV53 UT WOS:000281966900125 ER PT J AU Hengartner, NW Matzner-Lober, E AF Hengartner, Nicolas W. Matzner-Lober, Eric TI ASYMPTOTIC UNBIASED DENSITY ESTIMATORS SO ESAIM-PROBABILITY AND STATISTICS LA English DT Article DE Nonparametric density estimation; kernel smoother; asymptotic normality; bias reduction; confidence intervals AB This paper introduces a computationally tractable density estimator that has the same asymptotic variance as the classical Nadaraya-Watson density estimator but whose asymptotic bias is zero. We achieve this result using a two stage estimator that applies a multiplicative bias correction to an oversmooth pilot estimator. Simulations show that our asymptotic results are available for samples as low as n = 50, where we see an improvement of as much as 20% over the traditionnal estimator. C1 [Hengartner, Nicolas W.] Los Alamos Natl Lab, Stochast Grp, Los Alamos, NM 87545 USA. [Matzner-Lober, Eric] Univ Rennes 2, UMR 6625, IRMAR, F-35043 Rennes, France. RP Hengartner, NW (reprint author), Los Alamos Natl Lab, Stochast Grp, POB 1663, Los Alamos, NM 87545 USA. EM eml@uhb.fr NR 20 TC 1 Z9 1 U1 0 U2 0 PU EDP SCIENCES S A PI LES ULIS CEDEX A PA 17, AVE DU HOGGAR, PA COURTABOEUF, BP 112, F-91944 LES ULIS CEDEX A, FRANCE SN 1292-8100 J9 ESAIM-PROBAB STAT JI ESAIM-Prob. Stat. PD JAN PY 2009 VL 13 BP 1 EP 14 DI 10.1051/ps:2007055 PG 14 WC Statistics & Probability SC Mathematics GA V18NV UT WOS:000208012400001 ER PT J AU Frotscher, M Young, ML Bei, H George, EP Neuking, K Eggeler, G AF Frotscher, M. Young, M. L. Bei, H. George, E. P. Neuking, K. Eggeler, G. BE Sittner, P Paidar, V Heller, L Seiner, H TI Influence of fatigue on the nanohardness of NiTiCr-wires SO ESOMAT 2009 - 8TH EUROPEAN SYMPOSIUM ON MARTENSITIC TRANSFORMATIONS LA English DT Proceedings Paper CT 8th European Symposium on Martensitic Transformations (ESOMAT 2009) CY SEP 07-11, 2009 CL Prague, CZECH REPUBLIC ID SHAPE-MEMORY ALLOY; MECHANICAL-PROPERTIES; MARTENSITE AB Testing parameters, such as rotational speed and bending radius, have a strong influence on the fatigue life of pseudoelastic NiTi shape-memory alloys during bending rotation fatigue (BRF) experiments [1, 2]. Previous studies showed a decrease in the fatigue life for smaller bending radius (i.e. higher equivalent strain) and larger rotational speed. This observation is associated with an increase of dislocation density, the stabilization of stress-induced martensite during cycling, and an increase of the plateau stresses due to self-heating. In the present study, we examine the influence of these fatigue parameters on the nanohardness and shape recovery of pseudoelastic NiTiCr shape-memory alloy wires by nanoindentation. We show that nanoindentation is a suitable method for the characterization of fatigue-related microstructural changes, which affect the mechanical properties. C1 [Frotscher, M.; Young, M. L.; Neuking, K.; Eggeler, G.] Ruhr Univ Bochum, Inst Mat, Univ Str 150, D-44801 Bochum, Germany. [Bei, H.; George, E. P.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [George, E. P.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. RP Frotscher, M (reprint author), Ruhr Univ Bochum, Inst Mat, Univ Str 150, D-44801 Bochum, Germany. EM matthias.frotscher@gmx.de RI George, Easo/L-5434-2014; Eggeler, Gunther/R-9833-2016 FU DFG (Deutsche Forschungsgemeinschaft); Land Nordrhein Westfalen through project B11 of the Collaborative Research Center SFB 459 (Shape-Memory Technology); Ruhr-University Research School; Alexander von Humboldt Foundation; Oak Ridge National Laboratory by the Division of Materials Sciences and Engineering, U.S. Department of Energy FX The authors acknowledge funding by the DFG (Deutsche Forschungsgemeinschaft) and the Land Nordrhein Westfalen through project B11 of the Collaborative Research Center SFB 459 (Shape-Memory Technology). MF is grateful for funding by the Ruhr-University Research School. MLY is financially supported by the Alexander von Humboldt Foundation. Part of this research was sponsored at the Oak Ridge National Laboratory by the Division of Materials Sciences and Engineering, U.S. Department of Energy. NR 13 TC 0 Z9 0 U1 0 U2 0 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE BN 978-2-7598-0480-1 PY 2009 AR UNSP 06012 DI 10.1051/esomat/200906012 PG 6 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA BNH76 UT WOS:000274582300106 ER PT J AU Shabalovskaya, S Rondelli, G Rettenmayr, M AF Shabalovskaya, S. Rondelli, G. Rettenmayr, M. BE Sittner, P Paidar, V Heller, L Seiner, H TI Electrochemical parameters and biocompatibility of bare Nitinol surfaces SO ESOMAT 2009 - 8TH EUROPEAN SYMPOSIUM ON MARTENSITIC TRANSFORMATIONS LA English DT Proceedings Paper CT 8th European Symposium on Martensitic Transformations (ESOMAT 2009) CY SEP 07-11, 2009 CL Prague, CZECH REPUBLIC ID TITANIUM; ALLOYS; HEMOCOMPATIBILITY AB For understanding the nature of the variable thrombogenicity of bare Nitinol surfaces, a systematic study of electrochemical parameters was performed on disc and wire samples using cyclic potential polarization, open circuit potential and polarization resistance. The surfaces treated using chemical solutions showed consistent corrosion behavior, but mechanically polished and heat treated samples were prone to pitting. The polarization resistance of bare Nitinol surfaces varied in a range from 100 K Omega cm(2) to 10 M Omega cm(2), and the open circuit potentials from -440 mV to -55 mV implying the variability in corrosion rate and surface reactivity. Ni surface concentrations and ion release are discussed in terms of surface charge in connection with fibrinogen adsorption and platelet activation. C1 [Shabalovskaya, S.; Rettenmayr, M.] Univ Jena, Inst Mat Sci & Technol, Loebdergraben 32, D-07743 Jena, Germany. [Shabalovskaya, S.] Iowa State Univ, Ames Lab, US DOE, Ames, IA 50011 USA. [Rondelli, G.] CNR, Inst Energy & Interphases, Milan, Italy. RP Shabalovskaya, S (reprint author), Univ Jena, Inst Mat Sci & Technol, Loebdergraben 32, D-07743 Jena, Germany. EM svetinol@yahoo.com NR 15 TC 0 Z9 0 U1 0 U2 3 PU E D P SCIENCES PI CEDEX A PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A, FRANCE BN 978-2-7598-0480-1 PY 2009 AR UNSP 07014 DI 10.1051/esomat/200907014 PG 6 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA BNH76 UT WOS:000274582300147 ER PT S AU Gallard, J Vallee, G Lebre, A Morin, C Gallard, P Scott, SL AF Gallard, Jerome Vallee, Geoffroy Lebre, Adrien Morin, Christine Gallard, Pascal Scott, Stephen L. BE Cesar, E Alexander, M Streit, A Traff, JL Cerin, C Knupfer, A Kranzlmuller, D Jha, S TI Complementarity between Virtualization and Single System Image Technologies SO EURO-PAR 2008 WORKSHOPS - PARALLEL PROCESSING SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 14th International Euro-Par Conference on Parallel Computing CY AUG 26-29, 2008 CL Las Palmas de Gran Canaria, SPAIN DE cluster; virtualization; SSI; resource management AB Nowadays, the use of clusters in research centers or industries is undeniable. Since few years, the usage of virtual machines (VM) offers more advanced resource management capabilities, using features Such as virtual machine live migration. Because of the latest contributions in the domain, some may argue that single system image (SSI) technologies are now deprecated, without, considering some complementarities between VMs and SSI technologies are possible. After evaluating different, configurations, we show that combining both approaches allows us to better address cluster challenges such as flexibility for the usage of available resources and simplicity of use. In other terms, the study Shows that VMs add a level of management flexibility between the hardware and the application, whereas, SSIs give an abstraction of the distributed resources. The Simultaneous usage of both technologies could improve the overall platform resources utilization, the cluster productivity and the efficiency of the running applications. C1 [Gallard, Jerome; Lebre, Adrien; Morin, Christine] INRIA Rennes Bretagne Atlantique, Paris Project Team, Rennes, France. [Vallee, Geoffroy; Scott, Stephen L.] Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. [Gallard, Pascal] KERLABS, Rennes, France. RP Gallard, J (reprint author), INRIA Rennes Bretagne Atlantique, Paris Project Team, Rennes, France. EM jerome.gallard@inria.fr; valleegr@ornl.gov; adrien.lebre@inria.fr; christine.morin@inria.fr; pascal.gallard@kerlabs.com; scottsl@ornl.gov FU European Commission [FP6-033576]; Laboratory Directed Research and Development Program of Oak Ridge National Laboratory (ORNL); U. S. Department of Energy [DE-AC05-00OR22725] FX The INRIA team carries out this research work in the framework of the XtreemOS project partially funded by the European Commission under contract #FP6-033576. ORNLs research sponsored by the Labora tory Directed Research and Development Program of Oak Ridge National Laboratory (ORNL), managed by UT-Battelle, LLC for the U. S. Department of Energy under Contract No. DE-AC05-00OR22725. NR 10 TC 1 Z9 1 U1 0 U2 1 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-642-00954-9 J9 LECT NOTES COMPUT SC PY 2009 VL 5415 BP 43 EP + PG 2 WC Computer Science, Hardware & Architecture; Computer Science, Theory & Methods SC Computer Science GA BJV48 UT WOS:000267262400005 ER PT S AU Tikotekar, A Vallee, G Naughton, T Ong, H Engelmann, C Scott, SL AF Tikotekar, Anand Vallee, Geoffroy Naughton, Thomas Ong, Hong Engelmann, Christian Scott, Stephen L. BE Cesar, E Alexander, M Streit, A Traff, JL Cerin, C Knupfer, A Kranzlmuller, D Jha, S TI An Analysis of HPC Benchmarks in Virtual Machine Environments SO EURO-PAR 2008 WORKSHOPS - PARALLEL PROCESSING SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 14th International Euro-Par Conference CY AUG 26-29, 2008 CL Las Palmas de Gran Canaria, SPAIN AB Virtualization technology has been gaining acceptance in the scientific community due to its overall flexibility in running HPC applications. It has been reported that a specific class of applications is better suited to a particular type of virtualization scheme or implementation. For example. Xen has been shown to perform with little overhead for compute-bound applications. Such it study, although useful, does not allow us to generalize conclusions beyond the performance analysis of that application which is explicitly executed. An explanation of why the generalization described above is difficult, may be due to the versatility in applications, which leads to different overheads in virtual environments. For example, two similar applications may spend disproportionate amount of time in their respective library code when run in virtual environments. In this paper, we aim to study such potential causes by investigating the behavior and identifying patterns of various overheads for HPC benchmark applications. Based on the investigation of the overhead profiles for different benchmarks, we aim to address questions such as: Are the overhead profiles for a particular type of benchmarks (such as compute-bound) similar or are there grounds to conclude otherwise? C1 [Tikotekar, Anand; Vallee, Geoffroy; Naughton, Thomas; Ong, Hong; Engelmann, Christian; Scott, Stephen L.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. RP Tikotekar, A (reprint author), Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. EM tikotekaraa@ornl.gov; valleegr@ornl.gov; naughtont@ornl.gov; hongong@ornl.gov; engelmannc@ornl.gov; scottsl@ornl.gov NR 11 TC 3 Z9 3 U1 0 U2 4 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-642-00954-9 J9 LECT NOTES COMPUT SC PY 2009 VL 5415 BP 63 EP 71 PG 9 WC Computer Science, Hardware & Architecture; Computer Science, Theory & Methods SC Computer Science GA BJV48 UT WOS:000267262400007 ER PT S AU Eckart, B He, XB Ong, H Scott, SL AF Eckart, Benjamin He, Xabin Ong, Hong Scott, Stephen L. BE Sips, H Epema, D Lin, HX TI An Extensible I/O Performance Analysis Framework for Distributed Environments SO EURO-PAR 2009: PARALLEL PROCESSING, PROCEEDINGS SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 15th International Euro-Par Conference on Parallel Computing CY AUG 25-28, 2009 CL Delft Univ Technol, Delft, NETHERLANDS SP Parallel & Distributed Syst Grp HO Delft Univ Technol DE I/O profiling; Disk I/O; Distributed Systems; Virtualization AB As distributed systems increase in both popularity and scale, it becomes increasingly important to understand as well as to systematically identify performance anomalies and potential opportunities for optimization. However; large scale distributed systems are often complex and non-deterministic clue to hardware and software heterogeneity and configurable runtime options that may boost or diminish performance. It is therefore important to be able to disseminate and present the information gleaned from a local system under a common evaluation methodology so that; such efforts can be valuable ill one environment; and provide general guidelines for other environments. Evaluation methodologies can conveniently be encapsulated inside of a common analysis framework that serves as an outer layer upon which appropriate experimental design and relevant workloads (benchmarking and profiling applications) can be supported. In this paper we present ExPerT, an Extensible Performance Toolkit. ExPerT defines a flexible framework from which a, set of benchmarking, tracing, and profiling applications call be correlated together in a unified interface. The framework consists primarily of two parts: all extensible module for profiling and benchmarking support, and a unified data discovery tool for information gathering acid parsing. We include a case study of disk I/O performance in virtualized distributed environments which demonstrates the flexibility of our framework for selecting benchmark suite, creating experimental design, and performing analysis. C1 [Eckart, Benjamin; He, Xabin] Tennessee Technol Univ, Cookeville, TN 38505 USA. [Ong, Hong; Scott, Stephen L.] Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Eckart, B (reprint author), Tennessee Technol Univ, Cookeville, TN 38505 USA. FU U.S. National Science Foundation [CNS-0720617]; Center for Manufacturing Research of the Tennessee Technological University FX This research was supported by the U.S. National Science Foundation under Grant No. CNS-0720617 and by the Center for Manufacturing Research of the Tennessee Technological University. NR 24 TC 0 Z9 0 U1 0 U2 3 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-642-03868-6 J9 LECT NOTES COMPUT SC PY 2009 VL 5704 BP 57 EP + PG 3 WC Computer Science, Theory & Methods SC Computer Science GA BNV77 UT WOS:000275676200005 ER PT S AU Sancho, JC Kerbyson, DJ AF Sancho, Jose Carlos Kerbyson, Darren. J. BE Sips, H Epema, D Lin, HX TI Dynamic Load Balancing of Matrix-Vector Multiplications on Roadrunner Compute Nodes SO EURO-PAR 2009: PARALLEL PROCESSING, PROCEEDINGS SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 15th International Euro-Par Conference on Parallel Computing CY AUG 25-28, 2009 CL Delft Univ Technol, Delft, NETHERLANDS SP Parallel & Distributed Syst Grp HO Delft Univ Technol AB Hybrid architectures that combine general purpose processors with accelerators are currently being adopted in several large-scale systems such as the Petaflop Roadrunner supercomputer at Los Alamos. In this system, dual-core Opteron host; processors are tightly coupled with PowerXCell 8i accelerator processors within each compute node. In this kind of hybrid architecture; an accelerated mode of operation is typically used to off-load performance hotspots in the computation to the accelerators. In this paper we explore the suitability of a variant of this acceleration mode in which the performance hotspots are actually shared between the host and the accelerators. To achieve tilts we have designed a new load balancing algorithm, which is optimized for the Roadrunner compute nodes, to dynamically distribute computation and associated data between the host and the accelerators at runtime. Results are presented using this approach, for sparse and dense matrix-vector multiplications, that show load-balancing can improve performance by up to 24% over solely using the accelerators. C1 [Sancho, Jose Carlos; Kerbyson, Darren. J.] Los Alamos Natl Lab, PAL, Los Alamos, NM 87545 USA. RP Sancho, JC (reprint author), Los Alamos Natl Lab, PAL, POB 1663, Los Alamos, NM 87545 USA. EM jcsancho@lanl.gov; djk@lanl.gov RI Sancho, Jose Carlos/B-3125-2016 OI Sancho, Jose Carlos/0000-0002-6917-9155 NR 13 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-642-03868-6 J9 LECT NOTES COMPUT SC PY 2009 VL 5704 BP 166 EP 177 PG 12 WC Computer Science, Theory & Methods SC Computer Science GA BNV77 UT WOS:000275676200015 ER PT S AU Alam, SR Barrett, RF Jagode, H Kuehn, JA Poole, SW Sankaran, R AF Alam, S. R. Barrett, R. F. Jagode, H. Kuehn, J. A. Poole, S. W. Sankaran, R. BE Sips, H Epema, D Lin, HX TI Impact of Quad-Core Cray XT4 System and Software Stack on Scientific Computation SO EURO-PAR 2009: PARALLEL PROCESSING, PROCEEDINGS SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 15th International Euro-Par Conference on Parallel Computing CY AUG 25-28, 2009 CL Delft Univ Technol, Delft, NETHERLANDS SP Parallel & Distributed Syst Grp HO Delft Univ Technol AB An upgrade from dual-core to quad-core AMD processor on the Cray XT system at the Oak Ridge National Laboratory (ORNL) Leadership Computing Facility (LCF) has resulted in significant changes in the hardware and software stack, including a deeper memory hierarchy, SIMD instructions and a multi-core aware MPI library. In this paper, we evaluate impact of a subset of these key changes on large-scale scientific applications. We will provide insights into application tuning and optimization process and report on how different strategies yield varying rates of successes and failures across different application domains. For instance, we demonstrate that the vectorization instructions (SSE) provide a performance boost of as much as 50% on fusion and combustion applications. Moreover, we reveal how the resource contentions could limit the achievable performance and provide insights into how application could exploit Petascale XT5 system's hierarchical parallelism. C1 [Alam, S. R.; Barrett, R. F.; Jagode, H.; Kuehn, J. A.; Poole, S. W.; Sankaran, R.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Alam, SR (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM alamsr@ornl.gov; barrett@ornl.gov; jagode@ornl.gov; kuehn@ornl.gov; poole@ornl.gov; sankaran@ornl.gov RI Sankaran, Ramanan/D-9254-2015 OI Sankaran, Ramanan/0000-0002-5352-9915 NR 22 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-642-03868-6 J9 LECT NOTES COMPUT SC PY 2009 VL 5704 BP 334 EP 344 PG 11 WC Computer Science, Theory & Methods SC Computer Science GA BNV77 UT WOS:000275676200029 ER PT J AU Schlub, TE Venturi, V Kedzierska, K Wellard, C Doherty, PC Turner, SJ Ribeiro, RM Hodgkin, PD Davenport, MP AF Schlub, Timothy E. Venturi, Vanessa Kedzierska, Katherine Wellard, Cameron Doherty, Peter C. Turner, Stephen J. Ribeiro, Ruy M. Hodgkin, Philip D. Davenport, Miles P. TI Division-linked differentiation can account for CD8(+) T-cell phenotype in vivo SO EUROPEAN JOURNAL OF IMMUNOLOGY LA English DT Article DE CD8 T cells; CD62L; Cell differentiation; Mathematical modelling; TCR ID B-CELLS; REPERTOIRE DIVERSITY; LYMPHOCYTE DIVISION; RECEPTOR REPERTOIRE; PRECURSOR FREQUENCY; IMMUNE-RESPONSES; CENTRAL-MEMORY; CD40 LIGAND; DEATH RATES; CFSE DATA AB The CD8(+) T-cell response to infection involves a large initial expansion in the numbers of responding cells, accompanied by differentiation of these cells. Expression of the adhesion molecule CD62L is high on naive cells and rapidly downregulated on the surface of the majority (similar to 90%) of cells during the 'effector' phase of acute infection. Adoptive transfer studies have been used to study differentiation in this system; however, relatively little work has investigated the phenotype of cells in the endogenous repertoire. We demonstrate that the extent of CD62L down-regulation is positively correlated with clone size in vivo, consistent with division-linked differentiation of responding cells. Other features of the endogenous CD62L(hi) and CD62L(lo) repertoire are that the CD62L(lo) repertoire is less diverse than the CD62L(hi) repertoire and represents a subset of clonotypes found in the CD62L(hi) repertoire. To test whether these observations are compatible with a mechanism of division-linked differentiation, we developed a mathematical model, where there is a probability of CD62L downregulation associated with cell division. Comparison of model results with experimental data suggests that division-linked differentiation provides a simple mechanism to explain the relationship between clone size and phenotype of CD8(+) T cells during acute infection. C1 [Schlub, Timothy E.; Venturi, Vanessa; Davenport, Miles P.] Univ New S Wales, Ctr Vasc Res, Complex Syst Biol Grp, Kensington, NSW 2033, Australia. [Kedzierska, Katherine; Doherty, Peter C.; Turner, Stephen J.] Univ Melbourne, Dept Immunol & Microbiol, Melbourne, Vic 3010, Australia. [Wellard, Cameron; Hodgkin, Philip D.] Walter & Eliza Hall Inst Med Res, Div Immunol, Parkville, Vic, Australia. [Ribeiro, Ruy M.] Los Alamos Natl Lab, Los Alamos, NM USA. RP Davenport, MP (reprint author), Univ New S Wales, Fac Med, Sch Med Sci, Ctr Vasc Res, Sydney, NSW 2052, Australia. EM m.davenport@unsw.edu.au RI Doherty, Peter Charles/C-4185-2013; OI Kedzierska, Katherine/0000-0001-6141-335X; Doherty, Peter Charles/0000-0002-5028-3489; Ribeiro, Ruy/0000-0002-3988-8241 FU National Health and Medical Research Council (NHMRC) FX This work was supported by the James S. McDonnell Foundation 21st Century Research Award/Studying Complex Systems, the Australian National Health and Medical Research Council (NHMRC) and a Bumet award of the NHMRC and Science, Technology, and Innovation funds from the Government of Victoria, Australia (to P.C.D.). M.P.D. is a Sylvia and Charles Viertel senior medical research fellow. K.K. is an NHMRC RD Wright fellow and S.J.T. is a Pfizer senior research fellow. NR 41 TC 11 Z9 11 U1 0 U2 2 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0014-2980 J9 EUR J IMMUNOL JI Eur. J. Immunol. PD JAN PY 2009 VL 39 IS 1 BP 67 EP 77 DI 10.1002/eji.200838554 PG 11 WC Immunology SC Immunology GA 400SW UT WOS:000262889900007 PM 19130548 ER PT J AU Glezakou, VA Taylor, PR AF Glezakou, Vassiliki-Alexandra Taylor, Peter R. TI On the electron affinity of B-2 SO EUROPEAN JOURNAL OF MASS SPECTROMETRY LA English DT Article DE electron affinity; homonuclear diatomics; correlated treatment; diatomic boron; boron clusters ID GROUND-STATE; EMISSION-SPECTRUM; EXCITED-STATES; TRANSITION; BORON; B2 AB We present the results of high-level ab initio calculations on the electron affinity of B-2. Our new best estimate of 1.93 +/- 0.03 eV is in agreement with previous calculations as well as the sole existing experimental estimate of 1.8 eV, as derived from quantities with an uncertainty of 0.4 eV. The electron affinity of atomic boron, which is much smaller, is also calculated for comparison and again found to be in good agreement with experiment. C1 [Taylor, Peter R.] Univ Warwick, Dept Chem, Coventry CV4 74L, W Midlands, England. [Taylor, Peter R.] Univ Warwick, Ctr Comp Sci, Coventry CV4 74L, W Midlands, England. [Glezakou, Vassiliki-Alexandra] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Taylor, PR (reprint author), Univ Warwick, Dept Chem, Coventry CV4 74L, W Midlands, England. EM Vanda.Glezakou@pnl.gov; p.r.taylor@warwick.ac.uk FU Wolfson Foundation; National Science Foundation [DACI-9619020, CHE-9700627] FX The authors would like to thank C.W. Bauschlicher and W.C Lineberger for helpful discussions. PRT acknowledges support from the Wolfson Foundation through the Royal Society. This work was initiated when both authors were at the San Diego Supercomputer Center and work at that time was supported by the National Science Foundation through Cooperative Agreement DACI-9619020 and Grant No. CHE-9700627. NR 17 TC 0 Z9 0 U1 0 U2 2 PU IM PUBLICATIONS PI W SUSSEX PA 6 CHARLTON MILL, CHARLTON, CHICHESTER,, W SUSSEX PO18 0HY, ENGLAND SN 1469-0667 J9 EUR J MASS SPECTROM JI Eur. J. Mass Spectrom. PY 2009 VL 15 IS 2 SI SI BP 337 EP 341 DI 10.1255/ejms.988 PG 5 WC Physics, Atomic, Molecular & Chemical; Spectroscopy SC Physics; Spectroscopy GA 428RQ UT WOS:000264867600026 PM 19423918 ER PT J AU Morrow, SA Guidal, M Garcon, M Laget, JM Smith, ES Adams, G Adhikari, KP Aghasyan, M Amaryan, MJ Anghinolfi, M Asryan, G Audit, G Avakian, H Bagdasaryan, H Baillie, N Ball, JP Baltzell, NA Barrow, S Battaglieri, M Bedlinskiy, I Bektasoglu, M Bellis, M Benmouna, N Berman, BL Biselli, AS Blaszczyk, L Bonner, BE Bookwalter, C Bouchigny, S Boiarinov, S Bradford, R Branford, D Briscoe, WJ Brooks, WK Bultmann, S Burkert, VD Butuceanu, C Calarco, JR Careccia, SL Carman, DS Carnahan, B Casey, L Cazes, A Chen, S Cheng, L Cole, PL Collins, P Coltharp, P Cords, D Corvisiero, P Crabb, D Crannell, H Crede, V Cummings, JP Dale, D Dashyan, N De Masi, R De Vita, R De Sanctis, E Degtyarenko, PV Denizli, H Dennis, L Deur, A Dhamija, S Dharmawardane, KV Dhuga, KS Dickson, R Didelez, JP Djalali, C Dodge, GE Doughty, D Dugger, M Dytman, S Dzyubak, OP Egiyan, H Egiyan, KS El Fassi, L Elouadrhiri, L Eugenio, P Fatemi, R Fedotov, G Fersch, R Feuerbach, RJ Forest, TA Fradi, A Gavalian, G Gevorgyan, N Gilfoyle, GP Giovanetti, KL Girod, FX Goetz, JT Gohn, W Gordon, CIO Gothe, RW Graham, L Griffioen, KA Guillo, M Guler, N Guo, L Gyurjyan, V Hadjidakis, C Hafidi, K Hakobyan, H Hanretty, C Hardie, J Hassall, N Heddle, D Hersman, FW Hicks, K Hleiqawi, I Holtrop, M Hourany, E Hyde-Wright, CE Ilieva, Y Ireland, DG Ishkhanov, BS Isupov, EL Ito, MM Jenkins, D Jo, HS Johnstone, JR Joo, K Juengst, HG Kalantarians, N Keller, D Kellie, JD Khandaker, M Khetarpal, P Kim, W Klein, A Klein, FJ Klimenko, AV Kossov, M Kramer, LH Kubarovsky, V Kuhn, J Kuhn, SE Kuleshov, SV Kuznetsov, V Lachniet, J Langheinrich, J Lawrence, D Li, J Livingston, K Lu, HY MacCormick, M Marchand, C Markov, N Mattione, P McAleer, S McCracken, M McKinnon, B McNabb, JWC Mecking, BA Mehrabyan, S Melone, JJ Mestayer, MD Meyer, CA Mibe, T Mikhailov, K Minehart, R Mirazita, M Miskimen, R Mokeev, V Morand, L Moreno, B Moriya, K Moteabbed, M Mueller, J Munevar, E Mutchler, GS Nadel-Turonski, P Nasseripour, R Niccolai, S Niculescu, G Niculescu, I Niczyporuk, BB Niroula, MR Niyazov, RA Nozar, M O'Rielly, GV Osipenko, M Ostrovidov, AI Park, K Park, S Pasyuk, E Paterson, C Pereira, SA Philips, SA Pierce, J Pivnyuk, N Pocanic, D Pogorelko, O Polli, E Popa, I Pozdniakov, S Preedom, BM Price, JW Procureur, S Prok, Y Protopopescu, D Qin, LM Raue, BA Riccardi, G Ricco, G Ripani, M Ritchie, BG Rosner, G Rossi, P Rubin, PD Sabatie, F Saini, MS Salamanca, J Salgado, C Santoro, JP Sapunenko, V Schott, D Schumacher, RA Serov, VS Sharabian, YG Sharov, D Shvedunov, NV Skabelin, AV Smith, LC Sober, DI Sokhan, D Stavinsky, A Stepanyan, SS Stepanyan, S Stokes, BE Stoler, P Strakovsky, II Strauch, S Taiuti, M Tedeschi, DJ Tkabladze, A Tkachenko, S Todor, L Tur, C Ungaro, M Vineyard, MF Vlassov, AV Watts, DP Weinstein, LB Weygand, DP Williams, M Wolin, E Wood, MH Yegneswaran, A Yurov, M Zana, L Zhang, J Zhao, B Zhao, ZW AF Morrow, S. A. Guidal, M. Garcon, M. Laget, J. M. Smith, E. S. Adams, G. Adhikari, K. P. Aghasyan, M. Amaryan, M. J. Anghinolfi, M. Asryan, G. Audit, G. Avakian, H. Bagdasaryan, H. Baillie, N. Ball, J. P. Baltzell, N. A. Barrow, S. Battaglieri, M. Bedlinskiy, I. Bektasoglu, M. Bellis, M. Benmouna, N. Berman, B. L. Biselli, A. S. Blaszczyk, L. Bonner, B. E. Bookwalter, C. Bouchigny, S. Boiarinov, S. Bradford, R. Branford, D. Briscoe, W. J. Brooks, W. K. Bueltmann, S. Burkert, V. D. Butuceanu, C. Calarco, J. R. Careccia, S. L. Carman, D. S. Carnahan, B. Casey, L. Cazes, A. Chen, S. Cheng, L. Cole, P. L. Collins, P. Coltharp, P. Cords, D. Corvisiero, P. Crabb, D. Crannell, H. Crede, V. Cummings, J. P. Dale, D. Dashyan, N. De Masi, R. De Vita, R. De Sanctis, E. Degtyarenko, P. V. Denizli, H. Dennis, L. Deur, A. Dhamija, S. Dharmawardane, K. V. Dhuga, K. S. Dickson, R. Didelez, J. -P. Djalali, C. Dodge, G. E. Doughty, D. Dugger, M. Dytman, S. Dzyubak, O. P. Egiyan, H. Egiyan, K. S. El Fassi, L. Elouadrhiri, L. Eugenio, P. Fatemi, R. Fedotov, G. Fersch, R. Feuerbach, R. J. Forest, T. A. Fradi, A. Gavalian, G. Gevorgyan, N. Gilfoyle, G. P. Giovanetti, K. L. Girod, F. X. Goetz, J. T. Gohn, W. Gordon, C. I. O. Gothe, R. W. Graham, L. Griffioen, K. A. Guillo, M. Guler, N. Guo, L. Gyurjyan, V. Hadjidakis, C. Hafidi, K. Hakobyan, H. Hanretty, C. Hardie, J. Hassall, N. Heddle, D. Hersman, F. W. Hicks, K. Hleiqawi, I. Holtrop, M. Hourany, E. Hyde-Wright, C. E. Ilieva, Y. Ireland, D. G. Ishkhanov, B. S. Isupov, E. L. Ito, M. M. Jenkins, D. Jo, H. S. Johnstone, J. R. Joo, K. Juengst, H. G. Kalantarians, N. Keller, D. Kellie, J. D. Khandaker, M. Khetarpal, P. Kim, W. Klein, A. Klein, F. J. Klimenko, A. V. Kossov, M. Kramer, L. H. Kubarovsky, V. Kuhn, J. Kuhn, S. E. Kuleshov, S. V. Kuznetsov, V. Lachniet, J. Langheinrich, J. Lawrence, D. Li, Ji Livingston, K. Lu, H. Y. MacCormick, M. Marchand, C. Markov, N. Mattione, P. McAleer, S. McCracken, M. McKinnon, B. McNabb, J. W. C. Mecking, B. A. Mehrabyan, S. Melone, J. J. Mestayer, M. D. Meyer, C. A. Mibe, T. Mikhailov, K. Minehart, R. Mirazita, M. Miskimen, R. Mokeev, V. Morand, L. Moreno, B. Moriya, K. Moteabbed, M. Mueller, J. Munevar, E. Mutchler, G. S. Nadel-Turonski, P. Nasseripour, R. Niccolai, S. Niculescu, G. Niculescu, I. Niczyporuk, B. B. Niroula, M. R. Niyazov, R. A. Nozar, M. O'Rielly, G. V. Osipenko, M. Ostrovidov, A. I. Park, K. Park, S. Pasyuk, E. Paterson, C. Pereira, S. Anefalos Philips, S. A. Pierce, J. Pivnyuk, N. Pocanic, D. Pogorelko, O. Polli, E. Popa, I. Pozdniakov, S. Preedom, B. M. Price, J. W. Procureur, S. Prok, Y. Protopopescu, D. Qin, L. M. Raue, B. A. Riccardi, G. Ricco, G. Ripani, M. Ritchie, B. G. Rosner, G. Rossi, P. Rubin, P. D. Sabatie, F. Saini, M. S. Salamanca, J. Salgado, C. Santoro, J. P. Sapunenko, V. Schott, D. Schumacher, R. A. Serov, V. S. Sharabian, Y. G. Sharov, D. Shvedunov, N. V. Skabelin, A. V. Smith, L. C. Sober, D. I. Sokhan, D. Stavinsky, A. Stepanyan, S. S. Stepanyan, S. Stokes, B. E. Stoler, P. Strakovsky, I. I. Strauch, S. Taiuti, M. Tedeschi, D. J. Tkabladze, A. Tkachenko, S. Todor, L. Tur, C. Ungaro, M. Vineyard, M. F. Vlassov, A. V. Watts, D. P. Weinstein, L. B. Weygand, D. P. Williams, M. Wolin, E. Wood, M. H. Yegneswaran, A. Yurov, M. Zana, L. Zhang, J. Zhao, B. Zhao, Z. W. TI Exclusive rho(0) electroproduction on the proton at CLAS SO EUROPEAN PHYSICAL JOURNAL A LA English DT Article ID GENERALIZED PARTON DISTRIBUTIONS; VIRTUAL COMPTON-SCATTERING; VECTOR-MESON ELECTROPRODUCTION; LARGE MOMENTUM-TRANSFER; DIFFRACTIVE PRODUCTION; PHOTOPRODUCTION; PHOTONS; QCD; REPRESENTATION; EVOLUTION AB The ep -> e'pp(0) reaction has been measured using the 5.754 GeV electron beam of Jefferson Lab and the CLAS detector. This represents the largest ever set of data for this reaction in the valence region. Integrated and differential cross-sections are presented. The W, Q(2) and t dependences of the cross-section are compared to theoretical calculations based on the t-channel meson-exchange Regge theory, on the one hand, and on quark handbag diagrams related to Generalized Parton Distributions (GPDs) on the other hand. The Regge approach can describe at the approximate to 30% level most of the features of the present data while the two GPD calculations that are presented in this article which succesfully reproduce the high-energy data strongly underestimate the present data. The question is then raised whether this discrepancy originates from an incomplete or inexact way of modelling the GPDs or the associated hard scattering amplitude or whether the GPD formalism is simply inapplicable in this region due to higher-twists contributions, incalculable at present. C1 [Morrow, S. A.; Guidal, M.; Bouchigny, S.; De Masi, R.; Didelez, J. -P.; Fradi, A.; Hadjidakis, C.; Hourany, E.; Jo, H. S.; MacCormick, M.; Moreno, B.; Niccolai, S.] Inst Phys Nucl ORSAY, Orsay, France. [Morrow, S. A.; Garcon, M.; Laget, J. M.; Audit, G.; De Masi, R.; Girod, F. X.; Marchand, C.; Morand, L.; Procureur, S.; Sabatie, F.] CEA Saclay, Serv Phys Nucl, F-91191 Gif Sur Yvette, France. [Laget, J. M.; Smith, E. S.; Avakian, H.; Boiarinov, S.; Brooks, W. K.; Burkert, V. D.; Carman, D. S.; Cole, P. L.; Cords, D.; Degtyarenko, P. V.; Deur, A.; Egiyan, H.; Elouadrhiri, L.; Girod, F. X.; Guo, L.; Gyurjyan, V.; Hardie, J.; Heddle, D.; Ito, M. M.; Joo, K.; Kramer, L. H.; Kubarovsky, V.; Mecking, B. A.; Mestayer, M. D.; Mokeev, V.; Niculescu, I.; Niczyporuk, B. B.; Nozar, M.; Prok, Y.; Raue, B. A.; Sapunenko, V.; Sharabian, Y. G.; Stepanyan, S.; Weygand, D. P.; Wolin, E.; Yegneswaran, A.] Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. [Adams, G.; Cummings, J. P.; Khetarpal, P.; Kuhn, J.; Li, Ji; Niyazov, R. A.; Stoler, P.] Rensselaer Polytech Inst, Troy, NY 12180 USA. [Adhikari, K. P.; Amaryan, M. J.; Bagdasaryan, H.; Bektasoglu, M.; Bueltmann, S.; Careccia, S. L.; Dharmawardane, K. V.; Dodge, G. E.; Gavalian, G.; Guler, N.; Hyde-Wright, C. E.; Juengst, H. G.; Kalantarians, N.; Klein, A.; Klimenko, A. V.; Kuhn, S. E.; Lachniet, J.; Niroula, M. R.; Niyazov, R. A.; Qin, L. M.; Tkachenko, S.; Ungaro, M.; Weinstein, L. B.; Zhang, J.] Old Dominion Univ, Norfolk, VA 23529 USA. [Aghasyan, M.; De Sanctis, E.; Mirazita, M.; Pereira, S. Anefalos; Polli, E.; Rossi, P.] Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy. [Anghinolfi, M.; Battaglieri, M.; Corvisiero, P.; De Vita, R.; Osipenko, M.; Ricco, G.; Ripani, M.; Taiuti, M.] Ist Nazl Fis Nucl, Sez Genova, I-16146 Genoa, Italy. [Asryan, G.; Bagdasaryan, H.; Dashyan, N.; Egiyan, K. S.; Gevorgyan, N.; Hakobyan, H.] Yerevan Phys Inst, Yerevan 375036, Armenia. [Baillie, N.; Butuceanu, C.; Egiyan, H.; Fersch, R.; Griffioen, K. A.] Coll William & Mary, Williamsburg, VA 23187 USA. [Ball, J. P.; Collins, P.; Dugger, M.; Pasyuk, E.; Ritchie, B. G.] Arizona State Univ, Tempe, AZ 85287 USA. [Baltzell, N. A.; Cazes, A.; Djalali, C.; Dzyubak, O. P.; Gothe, R. W.; Graham, L.; Guillo, M.; Langheinrich, J.; Lu, H. Y.; Nasseripour, R.; Park, K.; Preedom, B. M.; Strauch, S.; Tedeschi, D. J.; Tur, C.; Wood, M. H.; Zhao, Z. W.] Univ S Carolina, Columbia, SC 29208 USA. [Barrow, S.; Blaszczyk, L.; Bookwalter, C.; Chen, S.; Coltharp, P.; Crede, V.; Dennis, L.; Eugenio, P.; Hanretty, C.; McAleer, S.; Ostrovidov, A. I.; Park, S.; Riccardi, G.; Saini, M. S.; Stokes, B. E.] Florida State Univ, Tallahassee, FL 32306 USA. [Bedlinskiy, I.; Boiarinov, S.; Kossov, M.; Kuleshov, S. V.; Mikhailov, K.; Pivnyuk, N.; Pogorelko, O.; Pozdniakov, S.; Serov, V. S.; Stavinsky, A.; Vlassov, A. V.] Inst Theoret & Expt Phys, Moscow 117259, Russia. [Bektasoglu, M.; Hicks, K.; Hleiqawi, I.; Keller, D.; Mibe, T.; Niculescu, G.; Tkabladze, A.] Ohio Univ, Athens, OH 45701 USA. [Bellis, M.; Bradford, R.; Dickson, R.; Feuerbach, R. J.; Kuhn, J.; Lachniet, J.; McCracken, M.; McNabb, J. W. C.; Meyer, C. A.; Moriya, K.; Schumacher, R. A.; Todor, L.; Williams, M.] Carnegie Mellon Univ, Pittsburgh, PA 15213 USA. [Benmouna, N.; Berman, B. L.; Briscoe, W. J.; Dhuga, K. S.; Ilieva, Y.; Munevar, E.; Nadel-Turonski, P.; Nasseripour, R.; Niculescu, I.; O'Rielly, G. V.; Philips, S. A.; Popa, I.; Strakovsky, I. I.; Strauch, S.; Tkabladze, A.] George Washington Univ, Washington, DC 20052 USA. [Biselli, A. S.] Fairfield Univ, Fairfield, CT 06824 USA. [Bonner, B. E.; Mattione, P.; Mutchler, G. S.] Rice Univ, Houston, TX 77005 USA. [Branford, D.; Sokhan, D.; Watts, D. P.] Univ Edinburgh, Edinburgh EH9 3JZ, Midlothian, Scotland. [Brooks, W. K.; Kuleshov, S. V.] Univ Tecn Federico Santa Maria, Valparaiso, Chile. [Calarco, J. R.; Egiyan, H.; Gavalian, G.; Hersman, F. W.; Holtrop, M.; Protopopescu, D.] Univ New Hampshire, Durham, NH 03824 USA. [Carnahan, B.; Casey, L.; Cheng, L.; Crannell, H.; Klein, F. J.; Santoro, J. P.; Sober, D. I.; Zana, L.] Catholic Univ Amer, Washington, DC 20064 USA. [Cole, P. L.; Dale, D.; Forest, T. A.; Salamanca, J.] Idaho State Univ, Pocatello, ID 83209 USA. [Crabb, D.; Fatemi, R.; Minehart, R.; Pierce, J.; Pocanic, D.; Prok, Y.; Smith, L. C.] Univ Virginia, Charlottesville, VA 22901 USA. [Denizli, H.; Dytman, S.; Mehrabyan, S.; Mueller, J.] Univ Pittsburgh, Pittsburgh, PA 15260 USA. [Dhamija, S.; Kramer, L. H.; Moteabbed, M.; Nasseripour, R.; Raue, B. A.; Schott, D.] Florida Int Univ, Miami, FL 33199 USA. [Doughty, D.; Hardie, J.; Heddle, D.; Prok, Y.] Christopher Newport Univ, Newport News, VA 23606 USA. [El Fassi, L.; Hafidi, K.] Argonne Natl Lab, Argonne, IL 60439 USA. [Fedotov, G.; Ishkhanov, B. S.; Isupov, E. L.; Mokeev, V.; Osipenko, M.; Sharov, D.; Shvedunov, N. V.] Moscow MV Lomonosov State Univ, Gen Nucl Phys Inst, Moscow 119899, Russia. [Gilfoyle, G. P.; Rubin, P. D.; Todor, L.; Vineyard, M. F.] Univ Richmond, Richmond, VA 23173 USA. [Giovanetti, K. L.; Niculescu, G.; Niculescu, I.] James Madison Univ, Harrisonburg, VA 22807 USA. [Goetz, J. T.] Univ Calif Los Angeles, Los Angeles, CA 90095 USA. [Gohn, W.; Joo, K.; Markov, N.; Ungaro, M.; Zhao, B.] Univ Connecticut, Storrs, CT 06269 USA. [Gordon, C. I. O.; Hassall, N.; Ireland, D. G.; Johnstone, J. R.; Kellie, J. D.; Livingston, K.; McKinnon, B.; Melone, J. J.; Paterson, C.; Protopopescu, D.; Rosner, G.; Watts, D. P.] Univ Glasgow, Glasgow G12 8QQ, Lanark, Scotland. [Jenkins, D.] Virginia Polytech Inst & State Univ, Blacksburg, VA 24061 USA. [Khandaker, M.; Salgado, C.] Norfolk State Univ, Norfolk, VA 23504 USA. [Kim, W.; Kuznetsov, V.; Park, K.; Stepanyan, S. S.; Yurov, M.] Kyungpook Natl Univ, Taegu 702701, South Korea. [Lawrence, D.; Miskimen, R.] Univ Massachusetts, Amherst, MA 01003 USA. [Price, J. W.] Calif State Univ Dominguez Hills, Carson, CA 90747 USA. [Skabelin, A. V.] MIT, Cambridge, MA 02139 USA. [Vineyard, M. F.] Union Coll, Schenectady, NY 12308 USA. RP Morrow, SA (reprint author), Inst Phys Nucl ORSAY, Orsay, France. EM guidal@ipno.in2p3.fr RI Meyer, Curtis/L-3488-2014; Sabatie, Franck/K-9066-2015; Osipenko, Mikhail/N-8292-2015; Zhang, Jixie/A-1461-2016; Ireland, David/E-8618-2010; Bektasoglu, Mehmet/A-2074-2012; Lu, Haiyun/B-4083-2012; Protopopescu, Dan/D-5645-2012; riccardi, gabriele/A-9269-2012; Zana, Lorenzo/H-3032-2012; Isupov, Evgeny/J-2976-2012; Ishkhanov, Boris/E-1431-2012; Zhao, Bo/J-6819-2012; Brooks, William/C-8636-2013; Kuleshov, Sergey/D-9940-2013; Schumacher, Reinhard/K-6455-2013 OI Meyer, Curtis/0000-0001-7599-3973; Sabatie, Franck/0000-0001-7031-3975; Osipenko, Mikhail/0000-0001-9618-3013; Bellis, Matthew/0000-0002-6353-6043; Ireland, David/0000-0001-7713-7011; Zhao, Bo/0000-0003-3171-5335; Brooks, William/0000-0001-6161-3570; Kuleshov, Sergey/0000-0002-3065-326X; Schumacher, Reinhard/0000-0002-3860-1827 FU Italian Istituto Nazionale di Fisica Nucleare; French Centre National de la Recherche Scientifique and Commissariat a l'Energie Atomique; UK Engineering and Physical Science Research Council; U. S. Department of Energy [DE-AC05-84ER40150]; National Science Foundation; Korea Research Foundation FX We would like to thank the staff of the Accelerator and Physics Divisions at Jefferson Lab who made this experiment possible. It is also a pleasure to thank S. Goloskokov, P. Kroll, A. Levy, D. Muller, M. Vanderhaeghen and C. Weiss for insightful discussions. Acknowledgments for the support of this experiment go also to the Italian Istituto Nazionale di Fisica Nucleare, the French Centre National de la Recherche Scientifique and Commissariat a l'Energie Atomique, the UK Engineering and Physical Science Research Council, the U. S. Department of Energy and the National Science Foundation, and the Korea Research Foundation. The Southeastern Universities Research Association ( SURA) operated the Thomas Jefferson National Accelerator Facility under U. S. Department of Energy contract DE-AC05-84ER40150. NR 56 TC 41 Z9 41 U1 0 U2 6 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1434-6001 J9 EUR PHYS J A JI Eur. Phys. J. A PD JAN PY 2009 VL 39 IS 1 BP 5 EP 31 DI 10.1140/epja/i2008-10683-5 PG 27 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 407UW UT WOS:000263390800002 ER PT J AU Zhou, YG Zu, XT Nie, JL Gao, F AF Zhou, Y. G. Zu, X. T. Nie, J. L. Gao, F. TI Adsorption of O on Mo(110) surface from first-principles calculation SO EUROPEAN PHYSICAL JOURNAL B LA English DT Article ID LOW-TEMPERATURE ADSORPTION; AB-INITIO; OXYGEN-ADSORPTION; METALS; PLANE; MO; PSEUDOPOTENTIALS; P(2X2)O/MO(110); ELECTRON; ELEMENTS AB First-principles calculations based on density functional theory (DFT) have been performed to study O adsorption in on-surface and subsurface sites. For different coverages, hollow site is found to be the most stable on-surface adsorption site. For the subsurface adsorption at the bare Mo surface, the adsorption energies are found to be higher than those at the on-surface sites, suggesting that these sites are less stable. However, the presence of preadsorbed O overlayer enhances the binding energy of subsurface adsorption, particularly for the adsorption of O at octahedral site. Further, vibrational frequencies, work-function and density of states are presented for O adsorption in on-surface sites. C1 [Zhou, Y. G.; Zu, X. T.; Nie, J. L.] Univ Elect Sci & Technol China, Dept Appl Phys, Chengdu 610054, Peoples R China. [Zu, X. T.] Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110015, Peoples R China. [Gao, F.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Zhou, YG (reprint author), Univ Elect Sci & Technol China, Dept Appl Phys, Chengdu 610054, Peoples R China. EM xiaotaozu@yahoo.com RI Gao, Fei/H-3045-2012 FU NSAF Joint Foundation of China [10376006]; Sichuan Young Scientists Foundation [03ZQ026-059]; SRF; Division of Materials Sciences and Engineering; Office of Basic Energy Sciences; US Department of Energy [DE-AC05-76RL01830] FX This study was supported financially by the NSAF Joint Foundation of China ( 10376006) and by the Sichuan Young Scientists Foundation (03ZQ026-059) and by the Project-sponsored by SRF for ROCS, SEM. F. Gao was supported by the Division of Materials Sciences and Engineering, Office of Basic Energy Sciences, US Department of Energy under Contract DE-AC05-76RL01830. NR 33 TC 7 Z9 7 U1 2 U2 14 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1434-6028 J9 EUR PHYS J B JI Eur. Phys. J. B PD JAN PY 2009 VL 67 IS 1 BP 27 EP 34 DI 10.1140/epjb/e2008-00468-2 PG 8 WC Physics, Condensed Matter SC Physics GA 405YZ UT WOS:000263261400004 ER PT S AU Liao, CH Quinlan, DJ Willcock, JJ Panas, T AF Liao, Chunhua Quinlan, Daniel J. Willcock, Jeremiah J. Panas, Thomas BE Muller, MS deSupinski, BR Chapman, BM TI Extending Automatic Parallelization to Optimize High-Level Abstractions for Multicore SO EVOLVING OPENMP IN AN AGE OF EXTREME PARALLELISM SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 5th International Workshop on OpenMP CY JUN 03-05, 2009 CL Dresden, GERMANY ID INFRASTRUCTURE; LIBRARIES AB Automatic introduction of OpenMP for sequential applications has attracted significant attention recently because of the proliferation of multicore processors and the simplicity of using openMP to express parallelism for shared-memory systems. However: most, previous research has only focused on C and Fortran applications, operating on primitive data types. C'++ applications rising high-level abstractions, such as STL containers and comples user-defined types are largely ignored due to the lack of research compilers that are readily able to recognize high-level object-oriented abstractions and leverage their associated semantics. In this paper, we automatically parallelize C++ applications using ROSE, a multiple-language source-to-source compiler infrastructure which preserves the high-level abstractions and allows its to unambiguously leverage their known semantics. Several representative parallelization candidate kernels are used to explore semantic-aware parallelization strategies for abstractions, combined with extended compiler analyses. Those kernels include an array-based computation loops a loop with task-level parallelism, and a domain-specific tree traversal. Our work extends the applicability of automatic parallelization to modern applications using high-level abstractions and exposes more opportunities to take advantage of multicore processors. C1 [Liao, Chunhua; Quinlan, Daniel J.; Panas, Thomas] Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94551 USA. [Willcock, Jeremiah J.] Indiana Univ, Dept Commun Sci, Bloomington, IN 47405 USA. RP Liao, CH (reprint author), Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94551 USA. EM liao6@llnl.gov; quinlan1@llnl.gov; jewillco@osl.iu.edu; panas2@llnl.gov FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. We thank Dr. Qing Yi for her dependence analysis implementation in ROSE. NR 24 TC 3 Z9 3 U1 0 U2 1 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-642-02284-5 J9 LECT NOTES COMPUT SC PY 2009 VL 5568 BP 28 EP + PG 3 WC Computer Science, Software Engineering; Computer Science, Theory & Methods SC Computer Science GA BKR28 UT WOS:000268999000003 ER PT S AU Furlinger, K Skinner, D AF Fuerlinger, Karl Skinner, David BE Muller, MS deSupinski, BR Chapman, BM TI Performance Profiling for OpenMP Tasks SO EVOLVING OPENMP IN AN AGE OF EXTREME PARALLELISM SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 5th International Workshop on OpenMP CY JUN 03-05, 2009 CL Dresden, GERMANY AB Tasking in OpenMP 3.0 allows irregular parallelism to be expressed much more easily and it is expected to be a major step towards the widespread adoption of OpenMP for multicore programming. We discuss the issues encountered ill providing monitoring support, for tasking in an existing OpenMP profiling tool with respect to instrumentation, measurement, and result presentation. C1 [Fuerlinger, Karl] Univ Calif Berkeley, Div Comp Sci, Dept EECS, Soda Hall 593, Berkeley, CA 94720 USA. [Skinner, David] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Furlinger, K (reprint author), Univ Calif Berkeley, Div Comp Sci, Dept EECS, Soda Hall 593, Berkeley, CA 94720 USA. EM fuerling@eecs.berkeley.edu; deskinner@lbl.gov OI Furlinger, Karl/0000-0003-0398-4087 NR 9 TC 5 Z9 5 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-642-02284-5 J9 LECT NOTES COMPUT SC PY 2009 VL 5568 BP 132 EP + PG 3 WC Computer Science, Software Engineering; Computer Science, Theory & Methods SC Computer Science GA BKR28 UT WOS:000268999000011 ER PT J AU Kilina, SV Habenicht, BF AF Kilina, Svetlana V. Habenicht, Bradley F. BA Kilina, SV Habenicht, BF BF Kilina, SV Habenicht, BF TI Excitonic and Vibrational Dynamics in Nanotechnology QUANTUM DOTS VS. NANOTUBES Introduction SO EXCITONIC AND VIBRATIONAL DYNAMICS IN NANOTECHNOLOGY: QUANTUM DOTS VS. NANOTUBES LA English DT Editorial Material; Book Chapter C1 [Kilina, Svetlana V.] Los Alamos Natl Lab, CINT, Los Alamos, NM 87545 USA. [Habenicht, Bradley F.] Univ Washington, Seattle, WA 98195 USA. RP Kilina, SV (reprint author), Los Alamos Natl Lab, CINT, Los Alamos, NM 87545 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU PAN STANFORD PUBLISHING PTE LTD PI SINGAPORE PA PENTHOUSE LEVEL, SUNTEC TOWER 3, 8 TEMASEK BLVD, SINGAPORE, 038988, SINGAPORE BN 978-9-81424-131-1 PY 2009 BP 1 EP 15 D2 10.1142/9789814241311 PG 15 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Atomic, Molecular & Chemical; Physics, Condensed Matter SC Science & Technology - Other Topics; Materials Science; Physics GA BVR47 UT WOS:000292546400002 ER PT J AU Kilina, SV Habenicht, BF AF Kilina, Svetlana V. Habenicht, Bradley F. BA Kilina, SV Habenicht, BF BF Kilina, SV Habenicht, BF TI Excitonic and Vibrational Dynamics in Nanotechnology QUANTUM DOTS VS. NANOTUBES Preface SO EXCITONIC AND VIBRATIONAL DYNAMICS IN NANOTECHNOLOGY: QUANTUM DOTS VS. NANOTUBES LA English DT Editorial Material; Book Chapter C1 [Kilina, Svetlana V.] Los Alamos Natl Lab, CINT, Los Alamos, NM 87545 USA. [Habenicht, Bradley F.] Univ Washington, Seattle, WA 98195 USA. RP Kilina, SV (reprint author), Los Alamos Natl Lab, CINT, Los Alamos, NM 87545 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU PAN STANFORD PUBLISHING PTE LTD PI SINGAPORE PA PENTHOUSE LEVEL, SUNTEC TOWER 3, 8 TEMASEK BLVD, SINGAPORE, 038988, SINGAPORE BN 978-9-81424-131-1 PY 2009 BP VII EP + D2 10.1142/9789814241311 PG 26 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Atomic, Molecular & Chemical; Physics, Condensed Matter SC Science & Technology - Other Topics; Materials Science; Physics GA BVR47 UT WOS:000292546400001 ER PT J AU Kilina, SV Habenicht, BF AF Kilina, Svetlana V. Habenicht, Bradley F. BA Kilina, SV Habenicht, BF BF Kilina, SV Habenicht, BF TI Electronic Structure and Phonon-Induced Carrier Relaxation in CdSe and PbSe Quantum Dots SO EXCITONIC AND VIBRATIONAL DYNAMICS IN NANOTECHNOLOGY: QUANTUM DOTS VS. NANOTUBES LA English DT Article; Book Chapter C1 [Kilina, Svetlana V.] Los Alamos Natl Lab, CINT, Los Alamos, NM 87545 USA. [Habenicht, Bradley F.] Univ Washington, Seattle, WA 98195 USA. RP Kilina, SV (reprint author), Los Alamos Natl Lab, CINT, Los Alamos, NM 87545 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU PAN STANFORD PUBLISHING PTE LTD PI SINGAPORE PA PENTHOUSE LEVEL, SUNTEC TOWER 3, 8 TEMASEK BLVD, SINGAPORE, 038988, SINGAPORE BN 978-9-81424-131-1 PY 2009 BP 16 EP 64 D2 10.1142/9789814241311 PG 49 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Atomic, Molecular & Chemical; Physics, Condensed Matter SC Science & Technology - Other Topics; Materials Science; Physics GA BVR47 UT WOS:000292546400003 ER PT J AU Kilina, SV Habenicht, BF AF Kilina, Svetlana V. Habenicht, Bradley F. BA Kilina, SV Habenicht, BF BF Kilina, SV Habenicht, BF TI Phonon-Induced Free Carrier Dynamics in Carbon Nanotubes SO EXCITONIC AND VIBRATIONAL DYNAMICS IN NANOTECHNOLOGY: QUANTUM DOTS VS. NANOTUBES LA English DT Article; Book Chapter C1 [Kilina, Svetlana V.] Los Alamos Natl Lab, CINT, Los Alamos, NM 87545 USA. [Habenicht, Bradley F.] Univ Washington, Seattle, WA 98195 USA. RP Kilina, SV (reprint author), Los Alamos Natl Lab, CINT, Los Alamos, NM 87545 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU PAN STANFORD PUBLISHING PTE LTD PI SINGAPORE PA PENTHOUSE LEVEL, SUNTEC TOWER 3, 8 TEMASEK BLVD, SINGAPORE, 038988, SINGAPORE BN 978-9-81424-131-1 PY 2009 BP 65 EP 92 DI 10.1142/9789814241311_0003 D2 10.1142/9789814241311 PG 28 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Atomic, Molecular & Chemical; Physics, Condensed Matter SC Science & Technology - Other Topics; Materials Science; Physics GA BVR47 UT WOS:000292546400004 ER PT J AU Kilina, SV Habenicht, BF AF Kilina, Svetlana V. Habenicht, Bradley F. BA Kilina, SV Habenicht, BF BF Kilina, SV Habenicht, BF TI Including Electron-hole Correlations: Excitonic and Vibrational Properties of Carbon Nanotubes SO EXCITONIC AND VIBRATIONAL DYNAMICS IN NANOTECHNOLOGY: QUANTUM DOTS VS. NANOTUBES LA English DT Article; Book Chapter C1 [Kilina, Svetlana V.] Los Alamos Natl Lab, CINT, Los Alamos, NM 87545 USA. [Habenicht, Bradley F.] Univ Washington, Seattle, WA 98195 USA. RP Kilina, SV (reprint author), Los Alamos Natl Lab, CINT, Los Alamos, NM 87545 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU PAN STANFORD PUBLISHING PTE LTD PI SINGAPORE PA PENTHOUSE LEVEL, SUNTEC TOWER 3, 8 TEMASEK BLVD, SINGAPORE, 038988, SINGAPORE BN 978-9-81424-131-1 PY 2009 BP 93 EP 140 DI 10.1142/9789814241311_0004 D2 10.1142/9789814241311 PG 48 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Atomic, Molecular & Chemical; Physics, Condensed Matter SC Science & Technology - Other Topics; Materials Science; Physics GA BVR47 UT WOS:000292546400005 ER PT J AU Kilina, SV Habenicht, BF AF Kilina, Svetlana V. Habenicht, Bradley F. BA Kilina, SV Habenicht, BF BF Kilina, SV Habenicht, BF TI Carbon Nanotube Technological Implementations SO EXCITONIC AND VIBRATIONAL DYNAMICS IN NANOTECHNOLOGY: QUANTUM DOTS VS. NANOTUBES LA English DT Article; Book Chapter C1 [Kilina, Svetlana V.] Los Alamos Natl Lab, CINT, Los Alamos, NM 87545 USA. [Habenicht, Bradley F.] Univ Washington, Seattle, WA 98195 USA. RP Kilina, SV (reprint author), Los Alamos Natl Lab, CINT, Los Alamos, NM 87545 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU PAN STANFORD PUBLISHING PTE LTD PI SINGAPORE PA PENTHOUSE LEVEL, SUNTEC TOWER 3, 8 TEMASEK BLVD, SINGAPORE, 038988, SINGAPORE BN 978-9-81424-131-1 PY 2009 BP 141 EP 145 DI 10.1142/9789814241311_0005 D2 10.1142/9789814241311 PG 5 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Atomic, Molecular & Chemical; Physics, Condensed Matter SC Science & Technology - Other Topics; Materials Science; Physics GA BVR47 UT WOS:000292546400006 ER PT J AU Bailey, DH Borwein, JM Crandall, RE AF Bailey, D. H. Borwein, J. M. Crandall, R. E. TI Resolution of the Quinn-Rand-Strogatz Constant of Nonlinear Physics SO EXPERIMENTAL MATHEMATICS LA English DT Article DE Winfree oscillators; high-precision arithmetic; Hurwitz zeta; Richardson extrapolation AB Herein we develop connections between zeta functions and some recent "mysterious" constants of nonlinear physics. In an important analysis of coupled Winfree oscillators, Quinn, Rand, and Strogatz [Quinn et al. 07] developed a certain N-oscillator scenario whose bifurcation phase offset small phi is implicitly defined, with a conjectured asymptotic behavior sin phi similar to 1 - c(1)/N, with experimental estimate c(1) = 0.605443657.... We are able to derive the exact theoretical value of this "QRS constant" c(1) as a real zero of a particular Hurwitz zeta function. This discovery enables, for example, the rapid resolution of cl to extreme precision. Results and conjectures are provided in regard to higher-order terms of the sin phi asymptotic, and to yet more physics constants emerging from the original QRS work. C1 [Bailey, D. H.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Borwein, J. M.] Univ Newcastle, Sch Math & Phys Sci, Callaghan, NSW 2308, Australia. [Crandall, R. E.] Reed Coll, Ctr Adv Computat, Portland, OR 97202 USA. RP Bailey, DH (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. EM dhbailey@lbl.gov; Jonathan.Borwein@newcastle.edu.au; crandall@reed.edu RI Borwein, Jonathan/A-6082-2009; OI Borwein, Jonathan/0000-0002-1263-0646 FU U.S. Department of Energy [DE-AC02-05CH11231]; NSERC; Canada Research Chair Programme FX The authors are very grateful to Steven Strogatz of Cornell University, who introduced us to this problem and gave us many encouraging words of support for the research. The first author was supported in part; by the director, Office of Computational and Technology Research, Division of Mathematical, Information, and Computational Sciences of the U.S. Department of Energy, under contract number DE-AC02-05CH11231. The second author was supported in part by NSERC and the Canada Research Chair Programme. NR 16 TC 1 Z9 1 U1 0 U2 0 PU A K PETERS LTD PI WELLESLEY PA 888 WORCESTER STREET, STE 230, WELLESLEY, MA 02482-3748 USA SN 1058-6458 J9 EXP MATH JI Exp. Math. PY 2009 VL 18 IS 1 BP 107 EP 116 DI 10.1080/10586458.2009.10128885 PG 10 WC Mathematics SC Mathematics GA 434QC UT WOS:000265288200009 ER PT J AU Sushko, ML AF Sushko, Maria L. TI Nanomechanics of organic/inorganic interfaces: a theoretical insight SO FARADAY DISCUSSIONS LA English DT Article; Proceedings Paper CT Faraday Discussions 143 on Soft Nanotechnology CY JUN 15-17, 2009 CL London, ENGLAND ID SELF-ASSEMBLED MONOLAYERS; GRAFTED POLYELECTROLYTE LAYER; POLY(ACRYLIC ACID) BRUSHES; DENSITY-FUNCTIONAL THEORY; ATOMIC-FORCE MICROSCOPY; POLYMER BRUSHES; CANTILEVER ARRAYS; MOLECULAR-DYNAMICS; DNA HYBRIDIZATION; SURFACE STRESS AB Microfabricated arrays of cantilevers coated with active layers represent ultrasensitive devices for the label-free detection of chemical and biochemical reactions. The development of these sensors for practical applications requires an understanding of the mechanism of transduction of chemical or physical changes in the active layer of the cantilever into its mechanical bending. In order to eliminate non-specific effects, differential detection with respect to reference cantilevers with an inert coating is used. However, the convolution of different specific effects leading to cantilever bending does not allow their direct decoupling based on experiments alone. We propose a quantitative mesoscopic model showing that there are two competing components to the differential deflection: the component associated with specific chemical or physical reaction on the active cantilever and the component due to a difference in elastic properties of the active and reference coatings. We apply the model to study the origin of the chemomechanical response in cantilever arrays for experimentally studied reactions, including deprotonation of pH sensitive self-assembled monolayers, DNA hybridization and swelling of polyelectrolyte brushes. We show that for all these diverse systems the theoretical model gives good quantitative agreement with the experimental data and provides a guide for designing cantilever sensors with significantly improved sensitivity. C1 [Sushko, Maria L.] UCL, London Ctr Nanotechnol, London WC1H 0AH, England. RP Sushko, ML (reprint author), Pacific NW Natl Lab, POB 999,MS K2-12, Richland, WA 99354 USA. EM maria.sushko@pnl.gov RI Sushko, Maria/C-8285-2014 OI Sushko, Maria/0000-0002-7229-7072 NR 60 TC 16 Z9 16 U1 0 U2 12 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1364-5498 J9 FARADAY DISCUSS JI Faraday Discuss. PY 2009 VL 143 BP 63 EP 80 DI 10.1039/b900861f PG 18 WC Chemistry, Physical SC Chemistry GA 493ZT UT WOS:000269779500005 PM 20334095 ER PT J AU Kay, JJ van de Meerakker, SYT Strecker, KE Chandler, DW AF Kay, Jeffrey J. van de Meerakker, Sebastiaan Y. T. Strecker, Kevin E. Chandler, David W. TI Production of cold ND3 by kinematic cooling SO FARADAY DISCUSSIONS LA English DT Article; Proceedings Paper CT Cold and Ultracold Molecules Conference 2009 CY APR 15-17, 2009 CL Durham Univ, Durham, ENGLAND HO Durham Univ ID AMMONIA MOLECULES; COLLISIONS; ARGON; STATE; BEAM; SLOW; GAS AB We have produced translationally cold ammonia (ND3) molecules in various quantum states by kinematic cooling. In these experiments, ND3 molecules are brought nearly to rest in the (J, K) = (2,0), (2,1), (2,2), (3,1), (3,2), and (3,3) rotational levels of the ground vibronic state by rotationally-inelastic collisions with Ne atoms. The cold molecules are produced in quantum-state-dependent velocity distributions whose laboratory frame velocities are measured to be between 21 m s(-1) (E-trans/k = 530 mk) and 32 m s(-1) (E-trans/k = 1.2 K), and are calculated to be between 7.5 m s(-1) (E-trans/k = 70 mK) and 27 m s(-1) (E-trans/k = 880 mK). Due to systematic experimental effects, the measured velocities are upper limits to the actual velocities. These temperatures are low enough that it should be possible to use electrostatic traps to confine cold molecules in many of these quantum states. C1 [Kay, Jeffrey J.; Strecker, Kevin E.; Chandler, David W.] Sandia Natl Labs, Livermore, CA 94550 USA. [van de Meerakker, Sebastiaan Y. T.] Max Planck Gesell, Fritz Haber Inst, D-14195 Berlin, Germany. RP Strecker, KE (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. EM kstreck@sandia.gov; chand@sandia.gov RI van de Meerakker, Sebastiaan/D-4581-2012 NR 27 TC 10 Z9 10 U1 0 U2 5 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-6640 EI 1364-5498 J9 FARADAY DISCUSS JI Faraday Discuss. PY 2009 VL 142 BP 143 EP 153 DI 10.1039/b819256c PG 11 WC Chemistry, Physical SC Chemistry GA 483NW UT WOS:000268974900009 PM 20151542 ER PT J AU Salmeron, M Bluhm, H Tatarkhanov, N Ketteler, G Shimizu, TK Mugarza, A Deng, XY Herranz, T Yamamoto, S Nilsson, A AF Salmeron, M. Bluhm, H. Tatarkhanov, N. Ketteler, G. Shimizu, T. K. Mugarza, A. Deng, Xingyi Herranz, T. Yamamoto, S. Nilsson, A. TI Water growth on metals and oxides: binding, dissociation and role of hydroxyl groups SO FARADAY DISCUSSIONS LA English DT Article ID PHOTOELECTRON-SPECTROSCOPY; MONOMER ADSORPTION; AMBIENT CONDITIONS; TIO2(110); RU(0001); RESOLUTION; FILMS; MICA; THIN AB We discuss the role of the presence of dangling H-bonds from water or form surface hydroxyl species on the wetting behaviour of surfaces. Using scanning tunneling and atomic force microscopes and photoelectron spectroscopy, we have examined a variety of surfaces, including mica, oxides and pure metals. We find that in all cases, the availability of free, dangling H-bonds at the surface is crucial for the subsequent growth of wetting water films. In the case of mica, electrostatic forces and H-bonding to surface O atoms determine the water orientation in the first layer and also in subsequent layers with a strong influence ill its wetting characteristics. In the case or Oxides like TiO2, Cu2O, SiO2 and Al2O3. Surface hydroxyls form readily on defects upon exposure to water vapour and help nucleate the subsequent growth of molecular water films. On pure metals, such as Pt, Pd and Ru, the structure of the first water layer and whether or not it exhibits dangling H-bonds is again crucial. Dangling H-bonds are provided by molecules with their plane oriented vertically. or by OH groups formed by the partial dissociation of water. By tying the two H atoms of the water molecules into strong H-bonds with pre-adsorbed O on Ru can also quench the wettability of the surface. C1 [Salmeron, M.; Bluhm, H.; Tatarkhanov, N.; Ketteler, G.; Shimizu, T. K.; Mugarza, A.; Deng, Xingyi; Herranz, T.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Salmeron, M.; Yamamoto, S.; Nilsson, A.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Tatarkhanov, N.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Yamamoto, S.; Nilsson, A.] SLAC, Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. RP Mugarza, A (reprint author), ICN CSIC, CIN2, Campus UAB, Bellaterra 01893, Spain. RI Shimizu, Tomoko/A-6780-2010; Yamamoto, Susumu/C-1584-2008; Nilsson, Anders/E-1943-2011; Herranz, Tirma/A-8656-2008; mugarza, aitor/B-6871-2012; OI Yamamoto, Susumu/0000-0002-6116-7993; Nilsson, Anders/0000-0003-1968-8696; mugarza, aitor/0000-0002-2698-885X; Deng, Xingyi/0000-0001-9109-1443 NR 26 TC 33 Z9 34 U1 7 U2 71 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1364-5498 J9 FARADAY DISCUSS JI Faraday Discuss. PY 2009 VL 141 BP 221 EP 229 DI 10.1039/b806516k PG 9 WC Chemistry, Physical SC Chemistry GA 444EZ UT WOS:000265964800014 PM 19227359 ER PT J AU Bako Ricci Debenedetti Rovere Havenith Coudert Luzar Klein Jungwirth Yamaguchi Lee Yarwood Michaelides Salmeron Feibelman Vega Patel Hodgson Finney Madden Uosaki Chen Jhe Perkin Halle Kim Bain Christenson Rao Held Lyashchenko von Klitzing Van Der Niet Hooton Marques Wu Johnson AF Bako Ricci Debenedetti Rovere Havenith Coudert Luzar Klein Jungwirth Yamaguchi Lee Yarwood Michaelides Salmeron Feibelman Vega Patel Hodgson Finney Madden Uosaki Chen Jhe Perkin Halle Kim Bain Christenson Rao Held Lyashchenko von Klitzing Van Der Niet Hooton Marques Wu Johnson TI Discussion SO FARADAY DISCUSSIONS LA English DT Editorial Material ID MOLECULARLY THIN-LAYERS; CONFINED WATER; VYCOR GLASS; ELECTROCHEMICAL-BEHAVIOR; DIELECTRIC PERMITTIVITY; ELECTROLYTE-SOLUTIONS; HYDROPHILIC SURFACES; SUBNANOMETER FILMS; MICA SURFACES; BILAYER ICE C1 [Bako] Hungarian Acad Sci, H-1051 Budapest, Hungary. [Ricci; Rovere] Univ Roma Tre, Rome, Italy. [Debenedetti] Princeton Univ, Princeton, NJ 08544 USA. [Havenith] Ruhr Univ Bochum, Bochum, Germany. [Coudert] Chim Paris Tech, Paris, France. [Luzar] Virginia Commonwealth Univ, Richmond, VA 23284 USA. [Klein] Weizmann Inst Sci, IL-76100 Rehovot, Israel. [Jungwirth] Acad Sci Czech Republic, Prague, Czech Republic. [Yamaguchi] Fukuoka Univ, Fukuoka, Japan. [Lee; Jhe] Seoul Natl Univ, Seoul 151, South Korea. [Yarwood] Sheffield Hallam Univ, Sheffield S1 1WB, S Yorkshire, England. [Michaelides; Finney; Perkin] UCL, London WC1E 6BT, England. [Salmeron; Patel] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Feibelman] Sandia Natl Labs, Livermore, CA 94550 USA. [Vega] Univ Complutense Madrid, E-28040 Madrid, Spain. [Hodgson] Univ Liverpool, Liverpool L69 3BX, Merseyside, England. [Madden; Hooton] Univ Edinburgh, Edinburgh EH8 9YL, Midlothian, Scotland. [Uosaki] Hokkaido Univ, Sapporo, Hokkaido 060, Japan. [Chen] Univ Illinois, Chicago, IL 60680 USA. [Halle] Lund Univ, S-22100 Lund, Sweden. [Kim; Rao] Penn State Univ, University Pk, PA 16802 USA. [Bain] Univ Durham, Durham DH1 3HP, England. [Christenson] Univ Leeds, Leeds LS2 9JT, W Yorkshire, England. [Held] Univ Reading, Reading RG6 2AH, Berks, England. [von Klitzing] Tech Univ Berlin, D-1000 Berlin, Germany. [Van Der Niet] Leiden Univ, NL-2300 RA Leiden, Netherlands. [Marques] Univ Autonoma Madrid, E-28049 Madrid, Spain. [Wu] Xiamen Univ, Xiamen, Peoples R China. RP Bako (reprint author), Hungarian Acad Sci, H-1051 Budapest, Hungary. NR 77 TC 0 Z9 0 U1 1 U2 10 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1364-5498 J9 FARADAY DISCUSS JI Faraday Discuss. PY 2009 VL 141 BP 443 EP 465 PG 23 WC Chemistry, Physical SC Chemistry GA 444EZ UT WOS:000265964800026 ER PT J AU Feibelman, PJ AF Feibelman, Peter J. TI Concluding remarks SO FARADAY DISCUSSIONS LA English DT Editorial Material ID INITIO MOLECULAR-DYNAMICS; AUGMENTED-WAVE METHOD; ICE; SURFACES; PT(111); MICROSCOPY; GERMANIUM; WATER; VISCOSITY; SILICON C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Feibelman, PJ (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM pjfeibe@sandia.gov NR 39 TC 7 Z9 7 U1 1 U2 4 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1364-5498 J9 FARADAY DISCUSS JI Faraday Discuss. PY 2009 VL 141 BP 467 EP 475 DI 10.1039/b817311g PG 9 WC Chemistry, Physical SC Chemistry GA 444EZ UT WOS:000265964800027 PM 19227370 ER PT J AU Bamberger, JA Greenwood, MS Morgan, GW Meyer, PA Baer, EBK Minette, MJ Scott, PA AF Bamberger, Judith Ann Greenwood, Margaret S. Morgan, Gerald W. Meyer, Perry A. Baer, Ellen B. K. Minette, Michael J. Scott, Paul A. GP ASME TI IN SITU MEASUREMENT TECHNIQUES FOR CHARACTERIZING PULSE JET MIXING OF SLURRIES SO FEDSM2009, VOL 2 LA English DT Proceedings Paper CT ASME Fluids Engineering Division Summer Meeting CY AUG 02-06, 2009 CL Vail, CO SP ASME, Fluids Engn Div ID DENSITY AB Metrics to characterize mixing are the just suspended velocity (UJS) and the cloud height (HC). Two ultrasonic instruments to characterize pulse jet mixing of slurries were developed and deployed to measure related metrics: the thickness of the settled bed and the concentration within the cloud as a function of elevation [C(Z)]. Ultrasonic Doppler velocimetry was used to measure the thickness of the bed of nonmoving particles (the settled solids layer). During pulse jet mixing at the critical suspension velocity (UCS) the settled solids layer thickness approached zero at the end of the jet pulse. The UCS is related to the just suspended velocity (UJS) for steady mixing. Ultrasonic attenuation was used to measure the suspended solids concentration at locations in the vessel to determine the concentration profile as a function of radial position and elevation. The concentration profile provided data inside the particulate cloud and complemented the visual measurement of the cloud height (HC). The UDV and the ultrasonic concentration probe data are used to evaluate the desired metrics based on relative measurements. The relative measurements are correlated with results obtained from a series of working standards created for each slurry, and used to develop correlations specific to each slurry. C1 [Bamberger, Judith Ann; Greenwood, Margaret S.; Morgan, Gerald W.; Meyer, Perry A.; Baer, Ellen B. K.; Minette, Michael J.; Scott, Paul A.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Bamberger, JA (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM judith.bamberger@pnl.gov; margaret.geenwood@pnl.gov; gerry.morgen@pnl.gov; perry.meyer@pnl.gov; ellen.baer@pnl.gov; michael.minette@pnl.gov; paul.scott@pnl.gov NR 13 TC 0 Z9 0 U1 0 U2 1 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA PY 2009 BP 57 EP 70 PG 14 WC Engineering, Mechanical SC Engineering GA BRK49 UT WOS:000282916200009 ER PT J AU Wendel, M Felde, D Abdou, A Riemer, B AF Wendel, Mark Felde, David Abdou, Ashraf Riemer, Bernard GP ASME TI Update on Progress in Creating Stabilized Gas Layers in Flowing Liquid Mercury SO FEDSM2009, VOL 2 LA English DT Proceedings Paper CT ASME Fluids Engineering Division Summer Meeting CY AUG 02-06, 2009 CL Vail, CO SP ASME, Fluids Engn Div ID SURFACE AB The Spallation Neutron Source (SNS) facility in Oak Ridge, Tennessee uses a liquid mercury target that is bombarded with protons to produce a pulsed neutron beam for materials research and development. In order to mitigate expected cavitation damage erosion (CDE) of the containment vessel, a two-phase flow arrangement of the target has been proposed and was earlier proven to be effective in significantly reducing CDE in non-prototypical target bodies. This arrangement involves covering vulnerable surfaces with a protective layer of gas. The difficulty lies in establishing a persistent gas layer that is oriented vertically and holds up to the strong buoyancy force and the turbulent mercury flow. Several new multiphase experiments have been completed at the Oak Ridge National Laboratory toward developing such layers. The gas hold-up is accomplished by machining regular features (grooves or pits) into the wall with dimensions on the order of 1 mm. The thickness of the gas layer varies, and it is currently unknown how thick a layer must be in order to successfully mitigate the damage, although this aspect is also under investigation. The paper includes a description of the various tests, a presentation of high-speed video images of the gas/mercury interaction viewed through a transparent window, and a discussion of how the results can be used to design a new SNS target that might be resistant to cavitation damage erosion. C1 [Wendel, Mark; Felde, David; Abdou, Ashraf; Riemer, Bernard] Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Wendel, M (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN USA. EM wendelmw@ornl.gov; feldedk@ornl.gov; ibrahimaa@ornl.gov; riemerbw@ornl.gov OI Riemer, Bernard/0000-0002-6922-3056 NR 7 TC 0 Z9 0 U1 0 U2 2 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA PY 2009 BP 343 EP 348 PG 6 WC Engineering, Mechanical SC Engineering GA BRK49 UT WOS:000282916200043 ER PT S AU Scrymgeour, DA AF Scrymgeour, D. A. BE Ferraro, P Grilli, S De Natale, P TI Applications of Domain Engineering in Ferroelectrics for Photonic Applications SO FERROELECTRIC CRYSTALS FOR PHOTONIC APPLICATIONS: INCLUDING NANOSCALE FABRICATION AND CHARACTERIZATION TECHNIQUES SE Springer Series in Materials Science LA English DT Article; Book Chapter ID STOICHIOMETRIC LITHIUM TANTALATE; OPTICAL PARAMETRIC OSCILLATION; PERIODICALLY POLED MGO-LINBO3; ELECTROOPTIC BEAM SCANNERS; LITAO3 SINGLE-CRYSTAL; 2ND-HARMONIC GENERATION; LINBO3 CRYSTALS; INTERNAL FIELD; PROTON-EXCHANGE; WAVE-GUIDES C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Scrymgeour, DA (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM dscrymg@sandia.gov RI Ferraro, Pietro/A-5288-2009 OI Ferraro, Pietro/0000-0002-0158-3856 NR 76 TC 1 Z9 1 U1 0 U2 1 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0933-033X BN 978-3-540-77965-0 J9 SPRINGER SER MATER S PY 2009 VL 91 BP 385 EP 399 D2 10.1007/978-3-540-77965-0 PG 15 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Physics GA BLX72 UT WOS:000271332300015 ER PT J AU Bussmann-Holder, A Bishop, AR AF Bussmann-Holder, A. Bishop, A. R. TI Complexity in the Phase Diagram of Perovskite Ferroelectrics SO FERROELECTRICS LA English DT Article; Proceedings Paper CT 9th International Russia-Commonwealth of Independent States-Baltic and States-Japan Symposium on Ferroelectricity CY JUN 15-19, 2008 CL Vilnius, LITHUANIA ID POLARIZABILITY MODEL; ORDER-DISORDER; TRANSITIONS; DISPLACIVE; BATIO3; SCATTERING; BEHAVIOR; SYSTEMS; SRTIO3 AB The temperature/doping dependent phase diagram of ferroelectric perovskite oxides is shown to be characterized by six different temperature scales: (1) At high temperatures a crossover from paraelectric to paraelectric/ferroelastic behavior sets in followed by (2) the onset of fluctuating ferroelastic clusters with doping- and temperature-dependent size. (3) The cluster size anti-correlates with their total system volume which defines another temperature scale. (4) The onset of ferroelectricity is not sharp since para- and ferroelectric solutions coexist in a small temperature regime. (5) The ferroelectric phase shows novel effects since beyond a certain transition temperature this state is incomplete, i.e., ferroelastic clusters fluctuate in a polar matrix. Finally (6) for low enough temperatures, ferroelectricity is completely suppressed by quantum fluctuations. C1 [Bussmann-Holder, A.] Max Planck Inst Solid State Res, D-70569 Stuttgart, Germany. [Bishop, A. R.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Bussmann-Holder, A (reprint author), Max Planck Inst Solid State Res, Heisenbergstr 1, D-70569 Stuttgart, Germany. EM a.bussmann-holder@fkf.mpg.de NR 25 TC 3 Z9 3 U1 1 U2 5 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0015-0193 J9 FERROELECTRICS JI Ferroelectrics PY 2009 VL 378 BP 42 EP 52 AR PII 910569520 DI 10.1080/00150190902844882 PG 11 WC Materials Science, Multidisciplinary; Physics, Condensed Matter SC Materials Science; Physics GA 435YC UT WOS:000265378400008 ER PT S AU Benterou, J Bennett, CV Cole, G Hare, DE May, C Udd, E Mihailov, SJ Lu, P AF Benterou, Jerry Bennett, Corey V. Cole, Garrett Hare, D. E. May, Chadd Udd, Eric Mihailov, Stephen J. Lu, Ping BE Udd, E Du, HH Wang, A TI Embedded fiber-optic Bragg grating (FBG) detonation velocity sensor SO FIBER OPTIC SENSORS AND APPLICATIONS VI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Fiber Optic Sensors and Applications VI CY APR 15-17, 2009 CL Orlando, FL SP SPIE DE Fiber gratings; high speed; velocity sensor; detonation; Bragg grating AB In order to fully calibrate hydrocodes and dynamic chemistry burn models, initiation models and detonation models of high explosives, the ability to continuously measure the detonation velocity within an explosive is required. Progress on an embedded velocity diagnostic using a 125 micron diameter optical fiber containing a chirped fiber Bragg grating is reported. As the chirped fiber Bragg grating is consumed by the moving detonation wave, the physical length of the unconsumed Bragg grating is monitored with a fast InGaAs photodiode. Experimental details of the associated equipment and data in the form of continuous detonation velocity records within PBX-9502 are presented. This small diameter fiber sensor has the potential to measure internal detonation velocities on the order of 10 mm/mu sec along path lengths tens of millimeters long. C1 [Benterou, Jerry; Bennett, Corey V.; Cole, Garrett; Hare, D. E.; May, Chadd] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Benterou, J (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. RI Cole, Garrett/B-9383-2011; Mihailov, Stephen/E-2687-2013; Bennett, Corey/C-2403-2009 OI Bennett, Corey/0000-0003-4365-5739 NR 5 TC 9 Z9 9 U1 0 U2 12 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-7582-4 J9 PROC SPIE PY 2009 VL 7316 AR 73160E DI 10.1117/12.819208 PG 10 WC Remote Sensing; Optics SC Remote Sensing; Optics GA BYK22 UT WOS:000299088400013 ER PT S AU Buric, MP Chen, K Falk, J Velez, R Woodruff, S AF Buric, M. P. Chen, K. Falk, J. Velez, R. Woodruff, S. BE Udd, E Du, HH Wang, A TI Raman Sensing of Fuel Gases Using a Reflective Coating Capillary Optical Fiber SO FIBER OPTIC SENSORS AND APPLICATIONS VI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Fiber Optic Sensors and Applications VI CY APR 15-17, 2009 CL Orlando, FL SP SPIE DE Raman; gas phase; natural gas; laser; capillary; sensor ID BURNING VELOCITY AB Hollow core fiber optics enable gas phase Raman spectroscopy with relatively low power laser excitation sources. A Raman sensor for gaseous fuel analysis is demonstrated using silver coated capillary optical fiber as the sample cell and as the signal collection optic. Using laser powers with as little as a few milliwatts excitation power, the majority species of natural gas and syngas are readily detected, as well as oxygen and nitrogen in a single sensor system. Exchange rates in the capillary optical fiber are high enough to enable optical analysis in sub-second response time for real time sensing and control. Because this one sensor system simultaneously detects and resolves all the component species, real time feedback to the combustion control system of fuel content and properties is enabled. C1 [Buric, M. P.; Chen, K.; Falk, J.; Velez, R.; Woodruff, S.] Natl Energy Technol Lab, Morgantown, WV 26507 USA. RP Buric, MP (reprint author), Natl Energy Technol Lab, 3610 Collins Ferry Rd, Morgantown, WV 26507 USA. NR 7 TC 5 Z9 5 U1 2 U2 6 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-7582-4 J9 PROC SPIE PY 2009 VL 7316 AR 731608 DI 10.1117/12.818746 PG 8 WC Remote Sensing; Optics SC Remote Sensing; Optics GA BYK22 UT WOS:000299088400008 ER PT S AU Erickson, KL Oelfke, J AF Erickson, Kenneth L. Oelfke, John BE Willkie, CA Morgan, AB Nelson, GL TI Effect of Ambient Oxygen Concentration on Thermal Decomposition of Polyurethanes Based on MDI and PMDI SO FIRE AND POLYMERS V: MATERIALS AND CONCEPTS FOR FIRE RETARDANCY SE ACS Symposium Series LA English DT Proceedings Paper CT 5th Symposium on Fire and Polymers: Materials and Concepts for Fire Retardancy CY APR, 2008 CL New Orleans, LA SP Govmark Org, Minelco, Ashland Inc, Rio Tinto Minerals, Akzo Nobel, Albemarle Corp, Nabeltec AG, Elkem AS, ICL Ind Products, Nanocor, Clariant GmbH, Ram Technol, So Clay Products ID DEGRADATION AB The presence of O(2) accelerated and increased char formation during the decomposition of polyurethanes based on MDI and PMDI. This appeared to occur by exothermic reaction between O(2) and polymer. The extent of char formation and exothermic heat release depended strongly on the ambient O(2) concentration. The char appeared to be chemically similar to the char that formed during decomposition in N(2). The increased char formation appeared to result from increased H abstraction due to reaction of O(2) with polymer. Ultimate reaction of the char to gaseous products depended strongly on the O(2) concentration and temperature. C1 [Erickson, Kenneth L.] Sandia Natl Labs, Multiprogram Lab, Albuquerque, NM 87185 USA. RP Erickson, KL (reprint author), Sandia Natl Labs, Multiprogram Lab, POB 5800, Albuquerque, NM 87185 USA. NR 11 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 SIXTEENTH ST NW, WASHINGTON, DC 20036 USA SN 0097-6156 BN 978-0-8412-6988-0 J9 ACS SYM SER JI ACS Symp. Ser. PY 2009 VL 1013 BP 387 EP 407 PG 21 WC Chemistry, Multidisciplinary; Polymer Science SC Chemistry; Polymer Science GA BVJ70 UT WOS:000291672200023 ER PT J AU Horgan, FG Quiring, DT Lagnaoui, A Pelletier, Y AF Horgan, Finbarr G. Quiring, Dan T. Lagnaoui, Aziz Pelletier, Yvan TI Effects of altitude of origin on trichome-mediated anti-herbivore resistance in wild Andean potatoes SO FLORA LA English DT Article DE Plant defenses; Solanum berthaultii Hawkes; Solanum tarijense Hawkes; Trade-offs; Trichomes; Tropical mountains ID SOLANUM-BERTHAULTII HAWKES; LEPTINOTARSA-DECEMLINEATA SAY; PHTHORIMAEA-OPERCULELLA ZELLER; GLANDULAR TRICHOMES; TUBER MOTH; INSECT RESISTANCE; BEETLE COLEOPTERA; LEAF TRICHOMES; SLUG HERBIVORY; PLANTS AB The diversity and abundance of herbivores often decreases with increasing altitude. Plants are expected to respond to reduced herbivore pressure by allocating fewer resources to anti-herbivore resistance at higher altitudes. This study uses a greenhouse experiment and parallel bioassay to examine population variability in trichome-mediated defenses across a range of accessions of Solanum berthaultii Hawkes and S. tarijense Hawkes that originated from different altitudes. S. berthaultii bears two types of glandular trichomes, type A and type B, whereas S. tarijense has type A trichomes only, and hairs resembling type B trichomes that are eglandular. Both type A and type B glandular trichomes on S. berthaultii deterred ovipositing female Phthorimaea operculella (Zell.) (Lepidoptera: Gelechiidae). The density of type A, but not type B trichomes decreased with increasing altitude of origin in S. berthaultii populations. The ratio of type A to type B trichomes on the abaxial Surface of S. berthaultii negatively affected oviposition and was inversely related to altitude of origin. In S. tarijense, type A trichomes deterred, but eglandular leaf hairs stimulated oviposition. Consequently, the ratio of type A trichomes to eglandular leaf hairs was negatively related to the number of eggs laid. The total numbers of trichomes per leaf generally increased with increasing altitude of origin in S. tarijense Whereas the ratio of type A trichomes to eglandular hairs declined. In the oviposition bioassay, We found no direct relationship between resistance and altitude of origin, which may have been due to differences in leaf area at the time or the bioassay. Nevertheless, the results suggest that populations of both plant species that originated from higher altitudes were generally more susceptible to ovipositing P. operculella. (C) 2008 Elsevier GmbH. All rights reserved. C1 [Horgan, Finbarr G.; Quiring, Dan T.; Pelletier, Yvan] Univ New Brunswick, Dept Biol, Populat Ecol Grp, Fredericton, NB E3B 6C2, Canada. [Lagnaoui, Aziz] Ctr Internacl Papa, Dept Entomol & Nematol, Lima 12, Peru. [Pelletier, Yvan] Agr & Agri Food Canada, Potato Res Ctr, Fredericton, NB E3B 4Z7, Canada. RP Horgan, FG (reprint author), TEAGASC, Oak Pk Res Ctr, Carlow, Co Carlow, Ireland. EM Finbarr.Horgan@teagasc.ie FU Canadian International Development Agency (CIDA) for North-South Cooperation in Agriculture and a Discovery; National Sciences and Engineering Research Council (NSERC) FX We thank Alberto Salas and Veronica Canedo at CIP-Lima for advice on wild potatoes and tuber moth throughout this research, Flor Llactarimay-Zarate and Carlos Torpoco for help with field and greenhouse trials, and two anonymous reviewers for helpful advice on the manuscript. Funding for this research was provided through a grant from the Canadian International Development Agency (CIDA) for North-South Cooperation in Agriculture and a Discovery Grant to DTQ from the National Sciences and Engineering Research Council (NSERC). NR 60 TC 4 Z9 5 U1 2 U2 11 PU ELSEVIER GMBH, URBAN & FISCHER VERLAG PI JENA PA OFFICE JENA, P O BOX 100537, 07705 JENA, GERMANY SN 0367-2530 J9 FLORA JI Flora PY 2009 VL 204 IS 1 BP 49 EP 62 DI 10.1016/j.flora.2008.01.008 PG 14 WC Plant Sciences; Ecology SC Plant Sciences; Environmental Sciences & Ecology GA 406QH UT WOS:000263309500007 ER PT J AU Miles, PC AF Miles, Paul C. BE Arcoumanis, C Kamimoto, T TI Turbulent Flow Structure in Direct-Injection, Swirl-Supported Diesel Engines SO FLOW AND COMBUSTION IN RECIPROCATING ENGINES SE Experimental Fluid Mechanics LA English DT Article; Book Chapter ID INTERNAL-COMBUSTION ENGINES; REYNOLDS STRESS MODEL; IN-CYLINDER FLOW; K-EPSILON MODELS; LDV MEASUREMENTS C1 Sandia Natl Labs, Livermore, CA USA. RP Miles, PC (reprint author), Sandia Natl Labs, Livermore, CA USA. NR 106 TC 11 Z9 11 U1 0 U2 1 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY BN 978-3-540-68901-0 J9 EXP FLUID MECH PY 2009 BP 173 EP 256 DI 10.1007/978-3-540-68901-0_4 D2 10.1007/978-3-540-68901-0 PG 84 WC Engineering, Multidisciplinary; Mechanics; Transportation Science & Technology SC Engineering; Mechanics; Transportation GA BLY50 UT WOS:000271443800004 ER PT J AU Siebers, DL AF Siebers, Dennis L. BE Arcoumanis, C Kamimoto, T TI Recent Developments on Diesel Fuel Jets Under Quiescent Conditions SO FLOW AND COMBUSTION IN RECIPROCATING ENGINES SE Experimental Fluid Mechanics LA English DT Article; Book Chapter ID TURBULENT JETS; ENTRAINMENT; SOOT C1 Sandia Natl Labs, Livermore, CA USA. RP Siebers, DL (reprint author), Sandia Natl Labs, Livermore, CA USA. NR 67 TC 11 Z9 11 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY BN 978-3-540-68901-0 J9 EXP FLUID MECH PY 2009 BP 257 EP 308 DI 10.1007/978-3-540-68901-0_5 D2 10.1007/978-3-540-68901-0 PG 52 WC Engineering, Multidisciplinary; Mechanics; Transportation Science & Technology SC Engineering; Mechanics; Transportation GA BLY50 UT WOS:000271443800005 ER PT B AU Garzon, M Bobillo-Ares, N Sethian, JA AF Garzon, M. Bobillo-Ares, N. Sethian, J. A. BE Matos, D Valerio, C TI SOME FREE BOUNDARY PROBLEMS IN POTENTIAL FLOW REGIME USING THE LEVEL SET METHOD SO FLUID MECHANICS AND PIPE FLOW: TURBULENCE, SIMULATION AND DYNAMICS LA English DT Article; Book Chapter ID BREAKING WAVES; PROPAGATING INTERFACES; INTEGRAL-EQUATIONS; SOLITARY WAVES; DROP FORMATION; CURVATURE; FRONTS; DYNAMICS AB Recent advances in the field of fluid mechanics with moving fronts are linked to the use of Level Set Methods, a versatile mathematical technique to follow free boundaries which undergo topological changes. A challenging class of problems in this context are those related to the solution of a partial differential equation posed on a moving domain, in which the boundary condition for the PDE solver has to be obtained from a partial differential equation defined on the front. This is the case of potential flow models with moving boundaries. Moreover, the fluid front may carry some material substance which diffuses in the front and is advected by the front velocity, as for example the use of surfactants to lower surface tension. We present a Level Set based methodology to embed this partial differential equations defined on the front in a complete Eulerian framework, fully avoiding the tracking of fluid particles and its known limitations. To show the advantages of this approach in the field of Fluid Mechanics we present in this work one particular application: the numerical approximation of a potential flow model to simulate the evolution and breaking of a solitary wave propagating over a slopping bottom and compare the level set based algorithm with previous front tracking models. C1 [Garzon, M.; Bobillo-Ares, N.] Univ Oviedo, Dept Matemat, Oviedo, Spain. [Sethian, J. A.] Univ Calif Berkeley, Dept Math, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Garzon, M (reprint author), Univ Oviedo, Dept Matemat, Oviedo, Spain. NR 46 TC 1 Z9 1 U1 0 U2 0 PU NOVA SCIENCE PUBLISHERS, INC PI HAUPPAUGE PA 400 OSER AVE, STE 1600, HAUPPAUGE, NY 11788-3635 USA BN 978-1-60741-037-9 PY 2009 BP 399 EP 440 PG 42 WC Mechanics SC Mechanics GA BMS03 UT WOS:000273433900013 ER PT S AU Gakh, AA Kirk, KL AF Gakh, Andrei A. Kirk, Kenneth L. BE Gakh, AA Kirk, KL TI Fluorinated Heterocycles SO FLUORINATED HETEROCYCLES SE ACS Symposium Series LA English DT Proceedings Paper CT Symposium on Fluorinated Heterocycles CY SEP 10-14, 2006 CL San Francisco, CA ID ORGANIC-COMPOUNDS; SUBSTITUTION; FLUORIDES; CHEMISTRY; REAGENTS; NITRATE; ROUTE; SALTS; BOND AB This introductory chapter is a quick overview of almost 100 years of fluoroheterocyclic chemistry, with particular attention to modern synthetic methods and applications presented in this book. Critical discussions regarding various synthetic procedures including nucleophilic and electrophilic fluorination, metal-catalyzed heterocyclization, cine- and tele- substitution in N-fluoroheterocycles, fluorodenitration, water-based chemistry, as well as applications of fluorinated heterocycles in medicine and agriculture are presented along with the examples of fluorohetrocyclic compounds of particular interests. C1 [Gakh, Andrei A.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Gakh, AA (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. NR 47 TC 8 Z9 8 U1 1 U2 3 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 SIXTEENTH ST NW, WASHINGTON, DC 20036 USA SN 0097-6156 BN 978-0-8412-6953-8 J9 ACS SYM SER JI ACS Symp. Ser. PY 2009 VL 1003 BP 3 EP 20 PG 18 WC Chemistry, Organic SC Chemistry GA BUE60 UT WOS:000289050300001 ER PT J AU Kwan, J Baumgartner, A Lu, CM Wang, M Weier, JF Zitzelsberger, HF Weier, HUG AF Kwan, Johnson Baumgartner, Adolf Lu, Chun-Mei Wang, Mei Weier, Jingly F. Zitzelsberger, Horst F. Weier, Heinz-Ulrich G. TI BAC-FISH assays delineate complex chromosomal rearrangements in a case of post-Chernobyl childhood thyroid cancer SO FOLIA HISTOCHEMICA ET CYTOBIOLOGICA LA English DT Article DE thyroid cancer; radiation; Chernobyl; chromosome aberration; translocation; fluorescence in situ hybridization (FISH); DNA probes; bacterial artificial chromosome ID TYROSINE KINASE; CYTOGENETIC CHARACTERIZATION; MOLECULAR CHARACTERIZATION; TRANSFORMING SEQUENCE; PAPILLARY CARCINOMA; RET PROTOONCOGENE; CELL-LINE; TUMORS; ACTIVATION; ONCOGENE AB Structural chromosome aberrations are known hallmarks of many solid tumors. In the papillary form of thyroid cancer (PTC), for example, activation of the receptor tyrosine kinase (RTK) genes, RET and neurotrophic tyrosine kinase receptor type I (NTRK1) by intra- and interchromosomal rearrangements has been suggested as a cause of the disease. However, many phenotypically similar tumors do not carry an activated RET or NTRK-1 gene or express abnormal ret or NTRK-1 transcripts. Thus, we hypothesize that other cellular RTK-type genes are aberrantly expressed in these tumors. Using fluorescence in situ hybridization-based methods, we are studying karyotype changes in a relatively rare subgroup of PTCs, i.e., tumors that arose in children following the 1986 nuclear accident in Chernobyl, Ukraine. Here, we report our technical developments and progress in deciphering complex chromosome aberrations in case S48TK, an aggressively growing PTC cell line, which shows an unusual high number of unbalanced translocations. C1 [Kwan, Johnson; Baumgartner, Adolf; Weier, Jingly F.; Weier, Heinz-Ulrich G.] Univ Calif Berkeley, Div Life Sci, EO Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Baumgartner, Adolf; Weier, Jingly F.] Univ Calif San Francisco, Dept Obstet Gynecol & Reprod Sci, San Francisco, CA 94143 USA. [Lu, Chun-Mei] Natl Chin Yi Univ Technol, Dept Chem & Mat Engn, Taiping City 411, Taichung, Taiwan. [Wang, Mei] CALTECH, Pasadena, CA 91125 USA. [Zitzelsberger, Horst F.] Helmholtz Zentrum Muenchen, Neuherberg, Germany. RP Weier, HUG (reprint author), Univ Calif Berkeley, Div Life Sci, EO Lawrence Berkeley Natl Lab, MS 977-250,1 Cyclotron Rd, Berkeley, CA 94720 USA. EM ulliweier@hotmail.com FU NIH [CA80792, CA88258, CA123370, HD45736, HD41425]; Office of Energy Research, Office of Health and Environmental Research, U.S. Department of Energy [DE-AC02-05CH11231]; UC Discovery Program FX This work was supported in parts by NIH grants CA80792, CA88258, CA123370, and HD45736, and a grant from the Director, Office of Energy Research, Office of Health and Environmental Research, U.S. Department of Energy, under contract DE-AC02-05CH11231. JFW was supported in part by NIH grant HD41425 and a grant from the UC Discovery Program, which also supported AB. Ideograms were kindly provided by D. Adler, Ph.D., Dept. of Pathology, Univ. Washington. We acknowledge the support from staff at the Helmholtz Zentrum Muenchen providing metaphase spreads and G-banding data. We also like to express our thanks to the scientists at the Human Genome Center, California Institute of Technology, Pasadena, whose generosity made these studies possible.; This document was prepared as an account of work sponsored by the United States Government. While this document is believed to contain correct information, neither the United States Government nor any agency thereof, nor The Regents of the University of California, nor any of their employees, makes any warranty, express or implied, or assumes any legal responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by its trade name, trademark, manufacturer, or otherwise, does not necessarily constitute or imply its endorsement, recommendation, or favoring by the United States Government or any agency thereof, or The Regents of the University of California. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States Government or any agency thereof, or The Regents of the University of California. NR 45 TC 6 Z9 7 U1 0 U2 0 PU POLISH HISTOCHEMICAL CYTOCHEMICAL SOC PI KRAKOW PA VESALUIS MEDICAL PUBLISHING, WISLISKO 1, 31-538 KRAKOW, POLAND SN 0239-8508 J9 FOLIA HISTOCHEM CYTO JI Folia Histochem. Cytobiol. PY 2009 VL 47 IS 2 BP 135 EP 142 DI 10.2478/v10042-009-0044-9 PG 8 WC Biochemistry & Molecular Biology; Cell Biology SC Biochemistry & Molecular Biology; Cell Biology GA 652PN UT WOS:000282021200001 PM 19995698 ER PT J AU Lu, CM Kwan, J Weier, JF Baumgartner, A Wang, M Escudero, T Munne, S Weier, HUG AF Lu, Chun-Mei Kwan, Johnson Weier, Jingly F. Baumgartner, Adolf Wang, Mei Escudero, Tomas Munne, Santiago Weier, Heinz-Ulrich G. TI Rapid mapping of chromosomal breakpoints: from blood to BAC in 20 days SO FOLIA HISTOCHEMICA ET CYTOBIOLOGICA LA English DT Article DE cytogenetics; chromosome aberration; translocation; IVF; PGD; fluorescence in situ hybridization ( FISH); bacterial artificial chromosome (BAC); DNA probes ID PREIMPLANTATION GENETIC DIAGNOSIS; IN-SITU HYBRIDIZATION; INTERPHASE CELLS; PROBES; TRANSLOCATIONS; ABNORMALITIES; FISH; DNA; ANEUPLOIDIES; FAILURE AB Structural chromosome aberrations and associated segmental or chromosomal aneusomies are major causes of reproductive failure in humans. Despite the fact that carriers of reciprocal balanced translocation often have no other clinical symptoms or disease, impaired chromosome homologue pairing in meiosis and karyokinesis errors lead to over-representation of translocations carriers in the infertile population and in recurrent pregnancy loss patients. At present, clinicians have no means to select healthy germ cells or balanced zygotes in vivo, but in vitro fertilization (IVF) followed by preimplantation genetic diagnosis (PGD) offers translocation carriers a chance to select balanced or normal embryos for transfer. Although a combination of telomeric and centromeric probes can differentiate embryos that are unbalanced from normal or unbalanced ones, a seemingly random position of breakpoints in these IVF-patients poses a serious obstacle to differentiating between normal and balanced embryos, which for most translocation couples, is desirable. Using a carrier with reciprocal translocation t (4;13)as an example, we describe our state-of-the-art approach to the preparation of patient-specific DNA probes that span or 'extent' the breakpoints. With the techniques and resources described here, most breakpoints can be accurately mapped in a matter of days using carrier lymphocytes, and a few extra days are allowed for PGD-probe optimization. The optimized probes will then be suitable for interphase cell analysis, a prerequisite for PGD since blastomeres are biopsied from normally growing day 3 - embryos regardless of their position in the mitotic cell cycle. Furthermore, routine application of these rapid methods should make PGD even more affordable for translocation carriers enrolled in IVF programs. C1 [Lu, Chun-Mei] Natl Chin Yi Univ Technol, Dept Chem & Mat Engn, Taichung 411, Taiwan. [Lu, Chun-Mei; Kwan, Johnson; Weier, Jingly F.; Baumgartner, Adolf; Weier, Heinz-Ulrich G.] Univ Calif Berkeley, EO Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. [Weier, Jingly F.; Baumgartner, Adolf] Univ Calif San Francisco, Dept Obstet Gynecol & Reprod Sci, San Francisco, CA 94143 USA. [Wang, Mei] CALTECH, Pasadena, CA 91125 USA. [Escudero, Tomas; Munne, Santiago] LLC, Reprogenet, Livingston, NJ USA. RP Lu, CM (reprint author), Natl Chin Yi Univ Technol, Dept Chem & Mat Engn, 35 Lane 215,Sect 1,Chungshan Rd, Taichung 411, Taiwan. EM lucm@ncut.edu.tw OI Munne, Santiago/0000-0002-1088-5565 FU NIH [CA80792, CA88258, CA123370, HD44313, HD45736]; Director, Office of Energy Research, Office of Health and Environmental Research, U. S. Department of Energy [DE-AC02-05CH11231] FX This work was supported in parts by NIH grants CA80792, CA88258, CA123370, and HD44313, and a grant from the Director, Office of Energy Research, Office of Health and Environmental Research, U. S. Department of Energy, under contract DE-AC02-05CH11231. JFW was supported in part by NIH grant HD45736 and a grant from the UC Discovery Program, which also supported AB. Ideograms were kindly provided by D. Adler, Ph.D., Dept. of Pathology, Univ. Washington. We acknowledge the support from staff at Reprogenetics providing metaphase spreads and mapping data. We like to express our thanks to the scientists at the Human Genome Center, California Institute of Technology, Pasadena, whose generosity made these studies possible. NR 36 TC 5 Z9 6 U1 0 U2 1 PU POLISH HISTOCHEMICAL CYTOCHEMICAL SOC PI KRAKOW PA VESALUIS MEDICAL PUBLISHING, WISLISKO 1, 31-538 KRAKOW, POLAND SN 0239-8508 J9 FOLIA HISTOCHEM CYTO JI Folia Histochem. Cytobiol. PY 2009 VL 47 IS 3 BP 367 EP 375 DI 10.2478/v10042-009-0067-2 PG 9 WC Biochemistry & Molecular Biology; Cell Biology SC Biochemistry & Molecular Biology; Cell Biology GA 652PR UT WOS:000282021800006 PM 20164020 ER PT J AU Antonopoulos, DA Brulc, JM Yannarell, A White, BA AF Antonopoulos, Dionysios A. Brulc, Jennifer M. Yannarell, Anthony White, Bryan A. BE Jaykus, LA Wang, HH Schlesinger, LS TI MOLECULAR METHODS TO STUDY COMPLEX MICROBIAL COMMUNITIES SO FOOD-BORNE MICROBES: SHAPING THE HOST ECOSYSTEM LA English DT Article; Book Chapter ID 16S RIBOSOMAL-RNA; GRADIENT GEL-ELECTROPHORESIS; FRAGMENT LENGTH POLYMORPHISM; POLYMERASE-CHAIN-REACTION; IN-SITU HYBRIDIZATION; HERBIVORE GASTROINTESTINAL-TRACT; TARGETED OLIGONUCLEOTIDE PROBES; ENVIRONMENTAL DNA LIBRARIES; INTERGENIC SPACER ANALYSIS; RUMEN BACTERIAL DIVERSITY C1 [Antonopoulos, Dionysios A.] Argonne Natl Lab, Inst Genom & Syst Biol, Argonne, IL 60439 USA. [Brulc, Jennifer M.] Univ Illinois, Inst Genom Biol, Dept Anim Sci, Urbana, IL 61801 USA. [White, Bryan A.] Univ Illinois, Div Nutr Sci, Dept Anim Sci, Urbana, IL 61801 USA. [White, Bryan A.] Univ Illinois, Div Nutr Sci, Dept Pathobiol, Urbana, IL 61801 USA. RP Antonopoulos, DA (reprint author), Argonne Natl Lab, Inst Genom & Syst Biol, 9700 S Cass Ave, Argonne, IL 60439 USA. NR 162 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N STREET NW, WASHINGTON, DC 20036-2904 USA PY 2009 BP 325 EP 345 PG 21 WC Gastroenterology & Hepatology; Microbiology SC Gastroenterology & Hepatology; Microbiology GA BOY54 UT WOS:000278065800019 ER PT S AU Dixon, KR Basilico, JD Forsythe, C Kincses, WE AF Dixon, Kevin R. Basilico, Justin D. Forsythe, Chris Kincses, Wilhelm E. BE Schmorrow, DD Estabrooke, IV Grootjen, M TI Using Context to Identify Difficult Driving Situations in Unstructured Environments SO FOUNDATIONS OF AUGMENTED COGNITION, PROCEEDINGS: NEUROERGONOMICS AND OPERATIONAL NEUROSCIENCE SE Lecture Notes in Artificial Intelligence LA English DT Proceedings Paper CT 5th International Conference on Foundation of Augmented Cognition CY JUL 19-24, 2009 CL San Diego, CA AB We present a context-based machine-learning approach for identifying difficult driving situations using sensor data that is readily available in commercial vehicles. The goal of this system is improve vehicle safety by alerting drivers to potentially dangerous situations. The context-based approach is a two-step learning process by first performing unsupervised learning to discover meaningful regularities, or "contexts," in the vehicle data and then performing C supervised learning, mapping the current context to a measure of driving difficulty. To validate the benefit of this approach, we collected driving data from a set of experiments involving both on-road and off-road driving tasks in unstructured environments. We demonstrate that context recognition greatly improves the performance of identifying difficult driving situations and show that the driving-difficulty system achieves a human level of performance on cross-validation data. C1 [Dixon, Kevin R.; Basilico, Justin D.; Forsythe, Chris] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. [Kincses, Wilhelm E.] Daimler AG Grp Res, D-71059 Sildelfingen, Germany. RP Dixon, KR (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM krdixon@sandia.gov; jdbasil@sandia.gov; jcforsy@sandia.gov; wilhelm.kincses@daimler.com FU Office of Naval Research Code 30; DARPA/DSO/IPTO; United States Department of Energy [DE-AC04-94AL85000] FX This work was funded by the Office of Naval Research Code 30 and DARPA/DSO/IPTO. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under contract DE-AC04-94AL85000. NR 15 TC 0 Z9 0 U1 1 U2 2 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-642-02811-3 J9 LECT NOTES ARTIF INT PY 2009 VL 5638 BP 20 EP + PG 3 WC Computer Science, Artificial Intelligence; Neurosciences SC Computer Science; Neurosciences & Neurology GA BKH40 UT WOS:000268101300003 ER PT S AU Abbott, RG Forsythe, JC AF Abbott, Robert G. Forsythe, J. Chris BE Schmorrow, DD Estabrooke, IV Grootjen, M TI Characterizing Cognitive Adaptability via Robust Automated Knowledge Capture SO FOUNDATIONS OF AUGMENTED COGNITION, PROCEEDINGS SE Lecture Notes in Artificial Intelligence LA English DT Proceedings Paper CT 5th International Conference on Foundation of Augmented Cognition CY JUL 19-24, 2009 CL San Diego, CA AB Applications such as individually tailored training and behavior emulation call for cognitive models tailored to unique individuals oil the basis of empirical data. While the Study of individual differences has been a mainstay of psychology, a prevailing assumption in cognitive theory and related modeling has been that cognitive processes are largely invariant across individuals and across different conditions for an individual. Attention has focused oil identifying a universally correct set of components and their interactions. At the same time, it is known that aptitudes for specific skills vary across individuals and different individuals will employ different strategies to perform the same task [3]. Moreover. individuals will perform tasks differently over time and under different conditions (e.g. Taylor et al, 2004). To reach their full potential, systems designed to augment cognitive performance must thus account for such between- and within-individual differences in cognitive processes. We propose that cognitive adaptability is it trait necessary to explain the inherently dynamic nature of cognitive processes as individuals adapt their available resources to ongoing circumstances. This does not imply it "blank slate;" humans are predisposed to process information in particular ways. Instead, we assert that given variation in the structure and functioning of the brain, (here exists inherent flexibility that may be quantified and used to predict differences in cognitive performance between individuals and for a given individual over time. This paper presents an early report on research we are undertaking to discover the dynamics of cognitive adaptability, with emphasis oil it task environment designed to evoke and quantify adaptation in controlled experiments. C1 [Abbott, Robert G.; Forsythe, J. Chris] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Abbott, RG (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM rgabbot@sandia.gov; jcforsy@sandia.gov NR 5 TC 0 Z9 0 U1 0 U2 1 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-642-02811-3 J9 LECT NOTES ARTIF INT PY 2009 VL 5638 BP 107 EP 113 PG 7 WC Computer Science, Artificial Intelligence; Neurosciences SC Computer Science; Neurosciences & Neurology GA BKH40 UT WOS:000268101300013 ER PT S AU Stevens, SM Forsythe, JC Abbott, RG Gieseler, CJ AF Stevens, Susan M. Forsythe, J. Chris Abbott, Robert G. Gieseler, Charles J. BE Schmorrow, DD Estabrooke, IV Grootjen, M TI Experimental Assessment of Accuracy of Automated Knowledge Capture SO FOUNDATIONS OF AUGMENTED COGNITION, PROCEEDINGS SE Lecture Notes in Artificial Intelligence LA English DT Proceedings Paper CT 5th International Conference on Foundation of Augmented Cognition CY JUL 19-24, 2009 CL San Diego, CA DE Automated assessment; Naval training systems; simulation-based training; intelligent tutoring systems AB The U.S. armed services are widely adopting simulation-based training, largely to reduce costs associated with live training. However simulation-based training still requires a high instructor-to-student ratio which is expensive. Intelligent tutoring systems target this need, but they are often associated with high costs for knowledge engineering and implementation. To reduce these costs, we are investigating the use of machine learning to produce models of expert behavior for automated student assessment. A key concern about the expert modeling approach is whether it can provide accurate assessments on complex tasks of real-world interest. This study evaluates of the accuracy of model-based assessments on a complex task. We trained employees at Sandia National Laboratories on a Navy simulator and then compared their simulation performance to the performance of experts using both automated and manual assessment. Results show that automated assessments were comparable to the manual assessments on three metrics. C1 [Stevens, Susan M.; Forsythe, J. Chris; Abbott, Robert G.; Gieseler, Charles J.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Stevens, SM (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM smsteve@sandia.gov; jcforsy@sandia.gov; rgabbot@sandia.gov; cjgiese@sandia.gov NR 1 TC 1 Z9 1 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-642-02811-3 J9 LECT NOTES ARTIF INT PY 2009 VL 5638 BP 212 EP 216 PG 5 WC Computer Science, Artificial Intelligence; Neurosciences SC Computer Science; Neurosciences & Neurology GA BKH40 UT WOS:000268101300025 ER PT S AU Dixon, KR Hagemann, K Basilico, J Forsythe, C Rothe, S Schrauf, M Kincses, WE AF Dixon, Kevin R. Hagemann, Konrad Basilico, Justin Forsythe, Chris Rothe, Siegfried Schrauf, Michael Kincses, Wilhelm E. BE Schmorrow, DD Estabrooke, IV Grootjen, M TI Improved Team Performance Using EEG- and Context-Based Cognitive-State Classifications for a Vehicle Crew SO FOUNDATIONS OF AUGMENTED COGNITION, PROCEEDINGS: NEUROERGONOMICS AND OPERATIONAL NEUROSCIENCE SE Lecture Notes in Artificial Intelligence LA English DT Proceedings Paper CT 5th International Conference on Foundation of Augmented Cognition CY JUL 19-24, 2009 CL San Diego, CA AB We present an augmented cognition (AugCog) system that utilizes two sources to assess cognitive state as a basis for actions to improve operator performance. First, continuous EEG is measured and signal processing algorithms utilized to identify patterns of activity indicative of high cognitive demand. Second, data from the automobile is used to infer the ongoing driving context. Subjects participated as eleven 2-person crews consisting of a driver/navigator and a commander/gunner. While driving a closed-loop test route, the driver received through headphones a series of communications and had to perform two secondary tasks. Certain segments of the route were designated as threat zones. The commander was alerted when entering a threat zone and their task was to detect targets Mounted on the roadside and engage those targets To determine targeting success, a photo was taken with each activation of the trigger and these photos were assessed with respect to the position of the reticle relative to the target. In a secondary task, the commander was presented a series of communications through headphones. Our results show that it is possible to reliably discriminate different cognitive states on the basis of neuronal signals. Results also confirmed Our hypothesis: improved performance at the crew level in the AugCog condition for a secondary communications tasks, as compared to a control condition, with no change in performance for the primary tasks. C1 [Dixon, Kevin R.; Basilico, Justin; Forsythe, Chris] Sandia Natl Labs, POB 5800,Mailstop 1188, Albuquerque, NM 87185 USA. [Hagemann, Konrad; Rothe, Siegfried; Schrauf, Michael; Kincses, Wilhelm E.] Daimler AG Grp Res, D-71059 Stuttgart, Germany. RP Dixon, KR (reprint author), Sandia Natl Labs, POB 5800,Mailstop 1188, Albuquerque, NM 87185 USA. EM jcforsy@sandia.gov FU ONR [N00014-06-2-0041]; United States Department of Energy [DE-AC04- 94AL85000] FX This work was supported by ONR under contract N00014-06-2-0041. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under contract DE-AC04- 94AL85000. NR 0 TC 3 Z9 3 U1 1 U2 3 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-642-02811-3 J9 LECT NOTES ARTIF INT PY 2009 VL 5638 BP 365 EP + PG 2 WC Computer Science, Artificial Intelligence; Neurosciences SC Computer Science; Neurosciences & Neurology GA BKH40 UT WOS:000268101300043 ER PT S AU Zotov, M Forsythe, J Petrukovich, V Akhmedova, I AF Zotov, M. Forsythe, J. Petrukovich, V. Akhmedova, I. BE Schmorrow, DD Estabrooke, IV Grootjen, M TI Physiological-Based Assessment of the Resilience of Training to Stressful Conditions SO FOUNDATIONS OF AUGMENTED COGNITION, PROCEEDINGS: NEUROERGONOMICS AND OPERATIONAL NEUROSCIENCE SE Lecture Notes in Artificial Intelligence LA English DT Proceedings Paper CT 5th International Conference on Foundation of Augmented Cognition CY JUL 19-24, 2009 CL San Diego, CA DE heart rate variability; cognitive workload; training AB Russian applied psychophysiology has it wide experience of using the heart rate variability (H RV) measures for the assessment of operator workload. However, 'workload indexes' that have received a wide practical application, such as tension index (TI), are not sensitive to the moment-to-moment changes of operator physiological arousal level during the performance of cognitive tasks. In this connection, a new method of HRV analysis called CS-index is offered. This index permits to identify moment-to-moment changes of openaor's functional state. The presented research shows that CS-index is sensitive to task load factors, such as task difficulty level and stressful conditions and allows to differentiate experienced and novice operators during their performance on it simulator. If the CS-index proves to be reliable enough, its combination with the Automated Expert Modeling for Automated Student Evaluation (AEMASE) approach can considerably raise the efficiency of operator training. C1 [Zotov, M.; Akhmedova, I.] St Petersburg State Univ, St Petersburg, Russia. [Forsythe, J.] Sandia Natl Labs, Albuquerque, NM USA. [Petrukovich, V.] Russian Military Med Acad, St Petersburg, Russia. RP Zotov, M (reprint author), St Petersburg State Univ, St Petersburg, Russia. EM Mvzotov@mail.ru; jcforcy@sandia.gov; Petrukov_vm@mail.ru; pemphix@mail.ru RI Mikhail, Zotov/P-7507-2015; OI Mikhail, Zotov/0000-0002-1988-8391; Korotkova, Inga/0000-0002-9614-4329 NR 15 TC 3 Z9 3 U1 1 U2 2 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-642-02811-3 J9 LECT NOTES ARTIF INT PY 2009 VL 5638 BP 563 EP + PG 3 WC Computer Science, Artificial Intelligence; Neurosciences SC Computer Science; Neurosciences & Neurology GA BKH40 UT WOS:000268101300065 ER PT S AU Diaz, J Yahlali, N Ball, M Barata, JAS Borges, FIGM Calvo, E Carcel, S Carmona, JM Cebrian, S Cervera, A Cid, X Conde, CAN Dafni, T Dias, THVT Fernandes, LMP Ferrer-Ribas, E Freitas, EDC Galan, J Gil, A Gil, I Giomataris, I Gomez, H Gomez-Cadenas, JJ Granena, F Hernando-Morata, JA Iguaz, FJ Irastorza, I Lopes, JAM Martinez, D Monteiro, CMB Munoz-Vidal, J Palomares, C Irastorza, I Lazaro, M Lux, T Luzon, G Martin-Albo, J Monrabal, F Morales, J Nova, F Novella, P Nygren, D Ripoll, L Rodriguez, A Ruz, J Sanchez, NF Santos, FP Dos Santos, JMF Serra, L Sorel, M Tavora, LMN Tomas, A Veloso, JFCA Verdugo, A AF Diaz, J. Yahlali, N. Ball, M. Barata, J. A. S. Borges, F. I. G. M. Calvo, E. Carcel, S. Carmona, J. M. Cebrian, S. Cervera, A. Cid, X. Conde, C. A. N. Dafni, T. Dias, T. H. V. T. Fernandes, L. M. P. Ferrer-Ribas, E. Freitas, E. D. C. Galan, J. Gil, A. Gil, I. Giomataris, I. Gomez, H. Gomez-Cadenas, J. J. Granena, F. Hernando-Morata, J. A. Iguaz, F. J. Irastorza, I. Lopes, J. A. M. Martinez, D. Monteiro, C. M. B. Munoz-Vidal, J. Palomares, C. Irastorza, I. Lazaro, M. Lux, T. Luzon, G. Martin-Albo, J. Monrabal, F. Morales, J. Nova, F. Novella, P. Nygren, D. Ripoll, L. Rodriguez, A. Ruz, J. Sanchez, N. F. Santos, F. P. Dos Santos, J. M. F. Serra, L. Sorel, M. Tavora, L. M. N. Tomas, A. Veloso, J. F. C. A. Verdugo, A. BE Irastorza, IG Colas, P Giomataris, I TI The NEXT experiment SO FOURTH SYMPOSIUM ON LARGE TPCS FOR LOW ENERGY RARE EVENT DETECTION SE Journal of Physics Conference Series LA English DT Proceedings Paper CT 4th Symposium on Large TPCs for Low Energy Rare Event Detection CY DEC 18-19, 2008 CL Inst Henri Poincare, Paris, FRANCE SP CEA IRFU, CNRS IN2P3 HO Inst Henri Poincare ID DOUBLE-BETA-DECAY; OSCILLATIONS; SEARCH AB Neutrino less double beta decay measurements are the most promising experiments both to reveal the Majorana nature of the neutrino and to set a value for its mass. The NEXT project propose to build a High pressure Xenon TPC in the Canfranc Underground Laboratory (Huesca, Spain) to measure double-beta decay of Xe-136, both normal and neutrinoless, with a source mass of 100 kg of enriched xenon. C1 [Diaz, J.; Yahlali, N.; Ball, M.; Carcel, S.; Cervera, A.; Gil, A.; Gomez-Cadenas, J. J.; Munoz-Vidal, J.; Lazaro, M.; Martin-Albo, J.; Monrabal, F.; Serra, L.; Sorel, M.] Ctr Mixto UV CSIC, Inst Fis Corpuscular, Apdo Correos 22085, E-46071 Valencia, Spain. [Calvo, E.; Granena, F.; Lux, T.; Nova, F.; Novella, P.; Sanchez, N. F.] Inst Fis Altas Energias, Barcelona, Spain. [Nygren, D.] Lawrence Berkeley Lab, Berkeley, CA USA. [Carmona, J. M.; Cebrian, S.; Dafni, T.; Galan, J.; Gomez, H.; Iguaz, F. J.; Irastorza, I.; Irastorza, I.; Luzon, G.; Morales, J.; Rodriguez, A.; Ruz, J.; Tomas, A.] Univ Zaragoza, E-50009 Zaragoza, Spain. [Gil, I.; Palomares, C.; Verdugo, A.] CIEMAT, Madrid, Spain. [Ripoll, L.] Univ Politecn Valencia, E-46022 Valencia, Spain. [Barata, J. A. S.; Borges, F. I. G. M.; Conde, C. A. N.; Dias, T. H. V. T.; Fernandes, L. M. P.; Freitas, E. D. C.; Lopes, J. A. M.; Monteiro, C. M. B.; Santos, F. P.; Dos Santos, J. M. F.; Tavora, L. M. N.; Veloso, J. F. C. A.] Univ Coimbra, P-3000 Coimbra, Portugal. [Ferrer-Ribas, E.; Giomataris, I.] CEA, IRFU, Saclay, France. [Cid, X.; Hernando-Morata, J. A.; Martinez, D.] Univ Santiago de Compostela, Santiago De Compostela, Spain. RP Diaz, J (reprint author), Ctr Mixto UV CSIC, Inst Fis Corpuscular, Apdo Correos 22085, E-46071 Valencia, Spain. EM jose.diaz@uv.es RI Ripoll, Lluis/A-8413-2015; Irastorza, Igor/B-2085-2012; Diaz, Jose/B-3454-2012; Dafni, Theopisti /J-9646-2012; Barata, Joao/M-7737-2013; Novella, Pau/K-2845-2014; Gomez Cadenas, Juan Jose/L-2003-2014; Hernando Morata, Jose Angel/L-7642-2014; Calvo Alamillo, Enrique/L-1203-2014; Lux, Thorsten/D-2156-2014; Gil Ortiz, Alejandro/M-1671-2014; Monrabal, Francesc/A-5880-2015; Carmona, Jose/H-3732-2015; Gil Botella, Ines/H-8991-2015; Verdugo de Osa, Antonio/F-7790-2016; Galan, Javier/F-7986-2016; Palomares, Carmen/H-7783-2015; MATIAS-LOPES, JOSE/H-6074-2012; OI Ripoll, Lluis/0000-0001-8194-5396; Irastorza, Igor/0000-0003-1163-1687; Diaz, Jose/0000-0002-7239-223X; Dafni, Theopisti /0000-0002-8921-910X; Barata, Joao/0000-0001-7415-4705; Novella, Pau/0000-0002-0923-3172; Gomez Cadenas, Juan Jose/0000-0002-8224-7714; Hernando Morata, Jose Angel/0000-0002-8683-5142; Calvo Alamillo, Enrique/0000-0002-1100-2963; Lux, Thorsten/0000-0002-7807-0856; Gil Ortiz, Alejandro/0000-0002-0852-412X; Monrabal, Francesc/0000-0002-4047-5620; Carmona, Jose/0000-0003-2264-2306; Verdugo de Osa, Antonio/0000-0003-3619-9675; Galan, Javier/0000-0001-7529-9834; Palomares, Carmen/0000-0003-4374-9065; MATIAS-LOPES, JOSE/0000-0002-6366-2963; Dias, Teresa/0000-0001-5101-4902; Borges Soares, Filipa/0000-0001-5790-173X; dos Santos, Joaquim Marques Ferreira/0000-0002-8841-6523; Santos, Filomena/0000-0002-0214-4185; Cid Vidal, Xabier/0000-0002-0468-541X; Martin-Albo, Justo/0000-0002-7318-1469; Conde, Carlos/0000-0002-1387-2161; Monteiro, Cristina Maria Bernardes/0000-0002-1912-2804; Iguaz Gutierrez, Francisco Jose/0000-0001-6327-9369; Fernandes, Luis/0000-0002-7061-8768; Sorel, Michel/0000-0003-2141-9508; Luzon Marco, Gloria/0000-0002-5352-1884; Freitas, Elisabete/0000-0001-8235-3229 FU Spanish Ministry of Science and Innovation [FPA2006-12120-C03]; FEDER FX This work has been supported in part by the Spanish Ministry of Science and Innovation under contract FPA2006-12120-C03. Part of this funding comes from FEDER funds. NR 12 TC 7 Z9 7 U1 3 U2 16 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2009 VL 179 AR UNSP 012005 DI 10.1088/1742-6596/179/1/012005 PG 8 WC Physics, Nuclear SC Physics GA BQW78 UT WOS:000282023800005 ER PT S AU Sellers, B Heiner, J Wirthlin, M Kalb, J AF Sellers, Benjamin Heiner, Jonathan Wirthlin, Michael Kalb, Jeff BE Danek, M Kadlec, J TI BITSTREAM COMPRESSION THROUGH FRAME REMOVAL AND PARTIAL RECONFIGURATION SO FPL: 2009 INTERNATIONAL CONFERENCE ON FIELD PROGRAMMABLE LOGIC AND APPLICATIONS SE International Conference on Field Programmable and Logic Applications LA English DT Proceedings Paper CT 19th International Conference on Field Programmable Logic and Applications CY AUG 31-SEP 02, 2009 CL ASCR, Informat Theory & Automat, Prague, CZECH REPUBLIC SP UTIA, AV, CR HO ASCR, Informat Theory & Automat AB As FPGA logic density continues to increase, new techniques are needed to store initial configuration data efficiently, maintain usability, and minimize cost. In this paper, a novel compression technique is presented for Xilinx Virtex partially reconfigurable FPGAs. This technique relies on constrained hardware design and layout combined with a few simple compression techniques. This technique uses partial reconfiguration to separate a hardware design into two separate regions: a static and partial region. A bitstream containing only the static region is then compressed by removing empty frames. This bitstream will be stored in non-volatile memory and used for initialization. The remaining logic is configured through partial reconfiguration over a communication network. By applying this technique, a high level of compression was achieved (almost 90% for the V4 LX25). This compression technique requires no extra decompression circuitry and compression levels improve as device size increases. C1 [Sellers, Benjamin; Heiner, Jonathan; Wirthlin, Michael] Brigham Young Univ, Dept Elect & Comp Engn, Provo, UT 84602 USA. [Kalb, Jeff] Sandia Natl Labs, Wireless Event Sensing Applicat, Albuquerque, NM USA. RP Sellers, B (reprint author), Brigham Young Univ, Dept Elect & Comp Engn, Provo, UT 84602 USA. FU National Nuclear Security Administration, Office of Nonproliferation Research and Development [NA-22] FX This project was funded by the National Nuclear Security Administration, Office of Nonproliferation Research and Development, NA-22. NR 6 TC 0 Z9 1 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 1946-1488 BN 978-1-4244-3891-4 J9 I C FIELD PROG LOGIC PY 2009 BP 476 EP + DI 10.1109/FPL.2009.5272502 PG 2 WC Computer Science, Software Engineering; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BOT08 UT WOS:000277506300076 ER PT J AU Fuss, JO Sarker, AH Fan, L Cheng, QJ Ciobanu, D Tsutakawa, S Tainer, JA Cooper, PK AF Fuss, Jill O. Sarker, Altaf H. Fan, Li Cheng, Quen J. Ciobanu, Doina Tsutakawa, Susan Tainer, John A. Cooper, Priscilla K. TI MECHANISMS OF DNA DAMAGE IN PREMATURE AGING: INSIGHTS FROM XERODERMA PIGMENTOSUM TYPE D SO FREE RADICAL BIOLOGY AND MEDICINE LA English DT Meeting Abstract CT 16th Annual Meeting of the Society-for-Free-Radical-Biology-and-Medicine CY NOV 18-22, 2009 CL San Francisco, CA SP Soc Free Rad Biol & Med C1 [Fuss, Jill O.; Sarker, Altaf H.; Cheng, Quen J.; Ciobanu, Doina; Tsutakawa, Susan; Tainer, John A.; Cooper, Priscilla K.] Lawrence Berkeley Natl Lab, Berkeley, CA USA. [Fan, Li; Tainer, John A.] Scripps Res Inst, La Jolla, CA USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0891-5849 J9 FREE RADICAL BIO MED JI Free Radic. Biol. Med. PY 2009 VL 47 BP S4 EP S4 PG 1 WC Biochemistry & Molecular Biology; Endocrinology & Metabolism SC Biochemistry & Molecular Biology; Endocrinology & Metabolism GA 522HM UT WOS:000271988500008 ER PT B AU Hovanski, Y Santella, M Grant, G Frederick, A Dahl, M AF Hovanski, Yuri Santella, Michael Grant, Glenn Frederick, Alan Dahl, Michael BE Mishra, RS Mahoney, MW Lienert, TJ TI Friction Stir Spot Welding of Advanced High Strength Steels SO FRICTION STIR WELDING AND PROCESSING V LA English DT Proceedings Paper CT 5th Symposium on Friction Stir Welding and Processing held at the TMS 2009 Annual Meeting and Exhibition CY FEB 15-19, 2009 CL San Francisco, CA DE Friction Stir; Steel; Spot Welding AB Friction Stir spot welding was used to join two advanced high-strength steels using polycrystalline cubic boron nitride tooling. Numerous tool designs were employed to study the influence of tool geometry on weld joints produced in both DP780 and a hot-stamp boron steel. Tool designs included conventional, concave shoulder pin tools with several pin configurations; a number of shoulderless designs; and a convex, scrolled shoulder tool. Weld quality was assessed based on lap shear strength, microstructure, and bonded area. Mechanical properties were functionally related to bonded area and joint microstructure, demonstrating the necessity to characterize processing windows based on tool geometry. C1 [Hovanski, Yuri; Grant, Glenn; Dahl, Michael] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Hovanski, Y (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99352 USA. NR 8 TC 0 Z9 0 U1 4 U2 8 PU MINERALS, METALS & MATERIALS SOC PI WARRENDALE PA 184 THORN HILL RD, WARRENDALE, PA 15086-7514 USA BN 978-0-87339-737-7 PY 2009 BP 161 EP 169 PG 9 WC Engineering, Mechanical; Metallurgy & Metallurgical Engineering SC Engineering; Metallurgy & Metallurgical Engineering GA BJC85 UT WOS:000264855500018 ER PT B AU Burkes, D Medvedev, P Chapple, M Amritkar, A Wells, P Charit, I AF Burkes, Douglas Medvedev, Pavel Chapple, Michael Amritkar, Amit Wells, Peter Charit, Indrajit BE Mishra, RS Mahoney, MW Lienert, TJ TI THE ROLE OF FRICTION STIR WELDING IN NUCLEAR FUEL PLATE FABRICATION SO FRICTION STIR WELDING AND PROCESSING V LA English DT Proceedings Paper CT 5th Symposium on Friction Stir Welding and Processing held at the TMS 2009 Annual Meeting and Exhibition CY FEB 15-19, 2009 CL San Francisco, CA AB The friction bonding process combines desirable attributes of both friction stir welding and friction stir processing. The development of the process is spurred on by the need to fabricate thin, high density, reduced enrichment fuel plates for nuclear research reactors. The work seeks to convert research and test reactors currently operating on highly enriched uranium to operate on low enriched uranium without significant loss in reactor performance, safety characteristics, or significant increase in cost. In doing so. the threat of global nuclear material proliferation will be reduced. Feasibility studies performed on the process show that this is a viable option for mass production of plate-type nuclear fuel. Adapting the friction stir weld process for nuclear fuel fabrication has resulted in the development of several unique ideas and observations. Preliminary results of this adaptation and discussion of process model development am discussed. C1 [Burkes, Douglas; Medvedev, Pavel; Chapple, Michael] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Burkes, D (reprint author), Idaho Natl Lab, POB 1625, Idaho Falls, ID 83415 USA. OI Amritkar, Amit/0000-0002-3779-8541 NR 5 TC 0 Z9 0 U1 0 U2 0 PU MINERALS, METALS & MATERIALS SOC PI WARRENDALE PA 184 THORN HILL RD, WARRENDALE, PA 15086-7514 USA BN 978-0-87339-737-7 PY 2009 BP 247 EP 256 PG 10 WC Engineering, Mechanical; Metallurgy & Metallurgical Engineering SC Engineering; Metallurgy & Metallurgical Engineering GA BJC85 UT WOS:000264855500026 ER PT S AU Anderson, AS Dattelbaum, AM Mukundan, H Price, DN Grace, WK Swanson, BI AF Anderson, Aaron S. Dattelbaum, Andrew M. Mukundan, Harshini Price, Dominique N. Grace, W. Kevin Swanson, Basil I. BE Fauchet, PM TI Robust Sensing Films for Pathogen Detection and Medical Diagnostics SO FRONTIERS IN PATHOGEN DETECTION: FROM NANOSENSORS TO SYSTEMS SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Frontiers in Pathogen Detection - From Nanosensors to Systems CY JAN 24-26, 2009 CL San Jose, CA SP SPIE DE self-assembled monolayers; waveguides; biosensor; non-specific binding; silanes ID POLY(ETHYLENE GLYCOL) FILMS; PERFORMANCE LIQUID-CHROMATOGRAPHY; TRANSFER RADICAL POLYMERIZATION; HISTIDINE-TAGGED PROTEINS; SELF-ASSEMBLED MONOLAYERS; THIN-LAYERS; OLIGO(ETHYLENE GLYCOL); ORGANIC MONOLAYERS; OPTICAL BIOSENSOR; SILICA SURFACES AB Our team has developed polyethylene glycol (PEG)-modified, self-assembled monolayers (SAMs) for biological detection on either planar or spherical substrates, which resist non-specific binding while facilitating specific ligand attachment. The preparation and characterization of these thin films, their validation against B. anthracis protective antigen (PA) in a sandwich assay format, and the application of these thin films for quantitative analysis of several medically interesting targets (breast cancer, tuberculosis, and influenza) will be shown. C1 [Anderson, Aaron S.; Dattelbaum, Andrew M.; Mukundan, Harshini; Price, Dominique N.; Grace, W. Kevin; Swanson, Basil I.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Anderson, AS (reprint author), Los Alamos Natl Lab, POB 1663,MSJ567, Los Alamos, NM 87545 USA. NR 44 TC 1 Z9 1 U1 0 U2 0 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-7413-1 J9 PROC SPIE PY 2009 VL 7167 AR 71670Q DI 10.1117/12.809383 PG 10 WC Engineering, Biomedical; Nanoscience & Nanotechnology; Remote Sensing; Optics SC Engineering; Science & Technology - Other Topics; Remote Sensing; Optics GA BSU91 UT WOS:000285842500018 ER PT S AU Mukundan, H Xie, HZ Anderson, A Grace, WK Martinez, JS Swanson, B AF Mukundan, Harshini Xie, Hongzhi Anderson, Aaron Grace, W. Kevin Martinez, Jennifer S. Swanson, Basil BE Fauchet, PM TI Toward Photostable Multiplex Analyte Detection on a Single Mode Planar Optical Waveguide SO FRONTIERS IN PATHOGEN DETECTION: FROM NANOSENSORS TO SYSTEMS SE Proceedings of SPIE-The International Society for Optical Engineering LA English DT Proceedings Paper CT Conference On Frontiers in Pathogen Detection - From Nanosensors to Systems CY JAN 24-26, 2009 CL San Jose, CA SP SPIE DE anthrax; quantum dots; waveguides; multiplex; biosensor ID TOXIN AB We have developed a waveguide-based optical biosensor for the sensitive and specific detection of biomarkers associated with disease. Our technology combines the superior optical properties of single-mode planar waveguides, the robust nature of functionalized self-assembled monolayer sensing films and the specificity of fluorescence sandwich immunoassays to detect biomarkers in complex biological samples such as serum, urine and sputum. We have previously reported the adaptation of our technology to the detection of biomarkers associated with breast cancer and anthrax. However, these approaches primarily used phospholipid bilayers as the functional film and organic dyes (ex: AlexaFluors) as the fluorescence reporter. Organic dyes are easily photodegraded and are not amenable to multiplexing because of their narrow Stokes' shift. Here we have developed strategies for conjugation of the detector antibodies with quantum dots for use in a multiplex detection platform. We have previously evaluated dihydroxylipoic acid quantum dots for the detection of a breast cancer biomarker. In this manuscript, we investigate the detection of the Bacillus anthracis protective antigen using antibodies conjugated with polymer-coated quantum dots. Kinetics of binding on the waveguide-based biosensor is reported. We compare the sensitivity of quantum dot labeled antibodies to those labeled with AlexaFluor and demonstrate the photostability of the former in our assay platform. In addition, we compare sulfydryl labeling of the antibody in the hinge region to that of nonspecific amine labeling. This is but the first step in developing a multiplex assay for such biomarkers on our waveguide platform. C1 [Mukundan, Harshini; Xie, Hongzhi; Anderson, Aaron; Grace, W. Kevin] Los Alamos Natl Lab, Div Chem, C PCS, Los Alamos, NM 87545 USA. EM Basil@lanl.gov NR 8 TC 1 Z9 1 U1 1 U2 2 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-7413-1 J9 P SOC PHOTO-OPT INS PY 2009 VL 7167 AR 71670A DI 10.1117/12.809530 PG 9 WC Engineering, Biomedical; Nanoscience & Nanotechnology; Remote Sensing; Optics SC Engineering; Science & Technology - Other Topics; Remote Sensing; Optics GA BSU91 UT WOS:000285842500006 ER PT S AU Kisielowski, C Specht, P Alloyeau, D Erni, R Ramasse, Q AF Kisielowski, C. Specht, P. Alloyeau, D. Erni, R. Ramasse, Q. BE Seiler, DG Diebold, AC McDonald, R Garner, CM Herr, D Khosla, RP Secula, EM TI Aberration-corrected Electron Microscopy Imaging for Nanoelectronics Applications SO FRONTIERS OF CHARACTERIZATION AND METROLOGY FOR NANOELECTRONICS: 2009 SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Conference on Frontiers of Characterization and Metrology for Nanoelectronics CY MAY 11-15, 2009 CL Albany, NY SP Natl Inst Stand & Technol, SUNY Albany, Coll Nanoscale Sci & Engn, Semicond Res Corp, Int SEMATCH Mfg Initiat, Semicond Int, Natl Sci Fdn, Amer Phys Soc, Amer Vacuum Soc DE Transmission electron microscopy; scanning transmission electron microscopy; image simulation; deep sub Angstrom resolution ID ATOMIC-RESOLUTION; STEM; SEGREGATION; SCATTERING; POSITIONS; CRYSTALS; GRAPHENE AB This paper addresses advances in electron microscopy that were accomplished over the past years with the incorporation of new electron optical components such as aberration correctors, monochromators or high brightness guns. Many of these developments are currently pursued within the DoE's TEAM project. As a result electron microscopy has reached 50 pm resolution. In this paper it is shown how the resolution improvement has helped to boost signal to noise ratios enabling a detection of single atoms across the Periodic Table of Elements. The described achievements allow for investigations of single point defects in nanoelectronic devices even if printed on single sheets of carbon atoms (graphene). Further it is now possible to access depth information from single projections with a precision that has reached interatomic distances. C1 [Kisielowski, C.; Alloyeau, D.; Erni, R.; Ramasse, Q.] Univ Calif Berkeley, Lawrence Berkeley Lab, Natl Ctr Electron Microscopy, One Cyclotron Rd, Berkeley, CA 94720 USA. [Kisielowski, C.] Univ Calif Berkeley, Lawrence Berkeley Lab, Helious SERC, Berkeley, CA 94720 USA. [Specht, P.] Univ Calif Berkeley, Lawrence Berkeley Lab, Mat Sci & Engn, Berkeley, CA 94720 USA. RP Kisielowski, C (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Natl Ctr Electron Microscopy, One Cyclotron Rd, Berkeley, CA 94720 USA. RI Erni, Rolf/P-7435-2014 OI Erni, Rolf/0000-0003-2391-5943 FU Department of Energy [DE-AC02-05CH11231]; Office of Science; Office of Basic Energy Sciences FX The TEAM project is supported by the Department of Energy, Office of Science, Office of Basic Energy Sciences. NCEM is supported by the Department of Energy, Contract # DE-AC02-05CH11231. E-TEM images were recorded for Helios SERC at CEN-DTU with kind support of R. Dunin-Borkowski and J. Jinschek. NR 50 TC 3 Z9 3 U1 0 U2 4 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0712-1 J9 AIP CONF PROC PY 2009 VL 1173 BP 231 EP + PG 3 WC Nanoscience & Nanotechnology; Physics, Applied SC Science & Technology - Other Topics; Physics GA BQB42 UT WOS:000280565800042 ER PT S AU Miller, WM Miller, PB Drummond, TJ AF Miller, William M. Miller, Paul B. Drummond, Timothy J. BE Millis, MG Davis, EW TI Force Characterization of Asymmetrical Capacitor Thrusters in Air SO FRONTIERS OF PROPULSION SCIENCE SE Progress in Astronautics and Aeronautics LA English DT Article; Book Chapter ID POSITIVE DC CORONA; AC CORONA; INERTIA; WIRE; WIND C1 [Miller, William M.; Drummond, Timothy J.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Miller, Paul B.] E Mt Charter High Sch, Sandia Pk, NM USA. [Miller, Paul B.] E Mt Christian Acad, Tijeras, NM USA. RP Miller, WM (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 31 TC 1 Z9 1 U1 0 U2 1 PU AMER INST AERONAUTICS & ASTRONAUTICS PI RESTON PA 1801 ALEXANDER BELL DR, STE 500, RESTON, VA 20191-4344 USA SN 0079-6050 BN 978-1-56347-956-4 J9 PROG ASTRONAUT AERON PY 2009 VL 227 BP 293 EP 327 PG 35 WC Engineering, Aerospace; Astronomy & Astrophysics SC Engineering; Astronomy & Astrophysics GA BJU79 UT WOS:000267214100009 ER PT S AU Worsley, MA Kuntz, JD Cervantes, O Han, TYJ Pauzauskie, PJ Satcher, JH Baumann, TF AF Worsley, Marcus A. Kuntz, Joshua D. Cervantes, Octavio Han, T. Yong-Jin Pauzauskie, Peter J. Satcher, Joe H., Jr. Baumann, Theodore F. BE Wu, J Han, WQ Janotti, A Kim, HC TI Synthesis and Characterization of Nanocarbon-Supported Titanium Dioxide SO FUNCTIONAL METAL-OXIDE NANOSTRUCTURES SE Materials Research Society Symposium Proceedings LA English DT Proceedings Paper CT Symposium on Functional Metal-Oxide Nanostructures held at the 2009 MRS Spring Meeting CY APR 14-17, 2009 CL San Francisco, CA ID WALLED CARBON NANOTUBES; SOL-GEL METHOD; ANATASE TIO2; PHOTOCATALYTIC DEGRADATION; AEROGELS; CATALYSTS; SILICA; ROUTE AB In this report, we describe recent efforts in fabricating new nanocarbon-supported titanium dioxide structures that exhibit high surface area and improved electrical conductivity. Nanocarbons consisting of single-walled carbon nanotubes and carbon aerogel nanoparticles were used to support titanium dioxide particles and produce monoliths with densities as low as 80 mg/cm(3). The electrical conductivity of the nanocarbon-supported titanium dioxide was dictated by the conductivity of the nanocarbon support while the pore structure was dominated by the titanium dioxide aerogel particles. The conductivity of the monoliths presented here was 72 S/m and the surface area was 203 m(2)/g. C1 [Worsley, Marcus A.; Kuntz, Joshua D.; Cervantes, Octavio; Han, T. Yong-Jin; Pauzauskie, Peter J.; Satcher, Joe H., Jr.; Baumann, Theodore F.] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94550 USA. RP Worsley, MA (reprint author), Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, 7000 East Ave, Livermore, CA 94550 USA. RI Worsley, Marcus/G-2382-2014 OI Worsley, Marcus/0000-0002-8012-7727 NR 31 TC 0 Z9 0 U1 0 U2 2 PU MATERIALS RESEARCH SOCIETY PI WARRENDALE PA 506 KEYSTONE DRIVE, WARRENDALE, PA 15088-7563 USA SN 0272-9172 BN 978-1-60511-147-6 J9 MATER RES SOC SYMP P PY 2009 VL 1174 BP 9 EP 14 PG 6 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA BMO07 UT WOS:000273014600002 ER PT S AU Dirk, SM Sawyer, PS Bernstein, R Hochrein, JM Washburn, CM Howell, SW Graf, DC AF Dirk, Shawn M. Sawyer, Patricia S. Bernstein, Robert Hochrein, James M. Washburn, Cody M. Howell, Stephen W. Graf, Darin C. BE Wu, J Han, WQ Janotti, A Kim, HC TI Development of a Sensor for Polypropylene Degradation Products SO FUNCTIONAL METAL-OXIDE NANOSTRUCTURES SE Materials Research Society Symposium Proceedings LA English DT Proceedings Paper CT Symposium on Functional Metal-Oxide Nanostructures held at the 2009 MRS Spring Meeting CY APR 14-17, 2009 CL San Francisco, CA AB This paper presents the development of a sensor to detect the oxidative and radiation induced degradation of polypropylene. Recently we have examined the use of crosslinked assemblies of nanoparticles as a chemiresistor-type sensor for the degradation products. We have developed a simple method that uses a siloxane matrix to fabricate a chemiresistor-type sensor that minimizes the swelling transduction mechanism while optimizing the change in dielectric response. These sensors were exposed with the use of a gas chromatography system to three previously identified polypropylene degradation products including 4-methyl-2-pentanone, acetone, and 2-pentanone. The limits of detection 2 10 ppb for 4-methy-2-pentanone, 575 ppb for 2-pentanone, and the LoD was unable to be determined for acetone due to incomplete separation from the carbon disulfide carrier. C1 [Dirk, Shawn M.; Sawyer, Patricia S.; Bernstein, Robert; Washburn, Cody M.] Sandia Natl Labs, Organ Mat Dept, Albuquerque, NM 87185 USA. RP Dirk, SM (reprint author), Sandia Natl Labs, Organ Mat Dept, POB 5800, Albuquerque, NM 87185 USA. RI Bernstein, Robert/F-8396-2013 NR 0 TC 0 Z9 0 U1 0 U2 2 PU MATERIALS RESEARCH SOCIETY PI WARRENDALE PA 506 KEYSTONE DRIVE, WARRENDALE, PA 15088-7563 USA SN 0272-9172 BN 978-1-60511-147-6 J9 MATER RES SOC SYMP P PY 2009 VL 1174 BP 141 EP 147 PG 7 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA BMO07 UT WOS:000273014600023 ER PT B AU Dukes, EC AF Dukes, E. Craig CA Mu2e Collaboration BE Astbury, A Penin, A Khanna, F Moore, R Czarnecki, A TI A HIGH-SENSITIVITY SEARCH FOR CHARGED LEPTON FLAVOR VIOLATION AT FERMILAB SO FUNDAMENTAL INTERACTIONS LA English DT Proceedings Paper CT 23rd Annual Lake-Louise Winter Institute CY FEB 18-23, 2008 CL Alberta, CANADA SP Univ Alberta, TRIUMF, Inst Particle Phys AB The Mu2e collaboration proposes to search for coherent, neutrinoless conversion of muons into electrons in the field of a nucleus, mu(-)N -> e(-)N, with a single-event sensitivity of similar to 10(-17), an improvement of a factor of 10,000 over existing limits. This lepton flavor-violating reaction probes mass scales unavailable by direct searches at either present or planned high energy colliders. The apparatus is briefly described as well as a scheme by which the experiment can be mounted in the present Fermilab accelerator complex. Prospects for increased sensitivity using the Project X accelerator that is being proposed by Fermilab are discussed. C1 [Dukes, E. Craig] Fermilab Natl Accelerator Lab, Particle Phys Div, Batavia, IL USA. RP Dukes, EC (reprint author), Fermilab Natl Accelerator Lab, Particle Phys Div, Batavia, IL USA. EM craigdukes@virginia.edu NR 3 TC 0 Z9 0 U1 0 U2 0 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA PO BOX 128 FARRER RD, SINGAPORE 9128, SINGAPORE BN 978-981-4280-93-8 PY 2009 BP 199 EP 203 DI 10.1142/9789814280945_0018 PG 5 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA BRE87 UT WOS:000282533300018 ER PT B AU Hollar, J AF Hollar, J. CA CMS Collaboration BE Astbury, A Penin, A Khanna, F Moore, R Czarnecki, A TI EXCLUSIVE gamma gamma -> l(+)l(-) AND gamma p -> Gamma p -> l(+)l(-)p PRODUCTION AT CMS SO FUNDAMENTAL INTERACTIONS LA English DT Proceedings Paper CT 23rd Annual Lake-Louise Winter Institute CY FEB 18-23, 2008 CL Alberta, CANADA SP Univ Alberta, TRIUMF, Inst Particle Phys ID PHOTOPRODUCTION; CALORIMETER; COLLIDERS; PHOTON; HERA AB Exclusive dilepton events are characterized by the presence of two back-to-back leptons, and no other detector activity above threshold. In the CMS experiment, this signature can result from two-photon interactions (gamma gamma -> l(+)l(-)) or Gamma photoproduction (gamma p -> Gamma p -> l(+)l(-)p). C1 [Hollar, J.; CMS Collaboration] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Hollar, J (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. EM jjhollar@lnl.gov NR 19 TC 0 Z9 0 U1 0 U2 3 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA PO BOX 128 FARRER RD, SINGAPORE 9128, SINGAPORE BN 978-981-4280-93-8 PY 2009 BP 244 EP 248 DI 10.1142/9789814280945_0027 PG 5 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA BRE87 UT WOS:000282533300027 ER PT B AU Kiryluk, I AF Kiryluk, I. CA ICECUBE Collaboration BE Astbury, A Penin, A Khanna, F Moore, R Czarnecki, A TI NEUTRINO PHYSICS WITH THE ICECUBE DETECTOR SO FUNDAMENTAL INTERACTIONS LA English DT Proceedings Paper CT 23rd Annual Lake-Louise Winter Institute CY FEB 18-23, 2008 CL Alberta, CANADA SP Univ Alberta, TRIUMF, Inst Particle Phys ID BURST; MUON AB IceCube is a cubic kilometer neutrino telescope under construction at the South Pole. The primary goal is to discover astrophysical sources of high energy neutrinos. We describe the detector and present results on atmospheric muon neutrinos from 2006 data collected with nine detector strings. C1 [Kiryluk, I.; ICECUBE Collaboration] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Kiryluk, I (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM JKiryluk@lbl.gov NR 17 TC 0 Z9 0 U1 0 U2 0 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA PO BOX 128 FARRER RD, SINGAPORE 9128, SINGAPORE BN 978-981-4280-93-8 PY 2009 BP 283 EP 287 PG 5 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA BRE87 UT WOS:000282533300035 ER PT B AU Liu, CL AF Liu, Chunlei BE Astbury, A Penin, A Khanna, F Moore, R Czarnecki, A TI B(s)(0) PHYSICS AT CDF SO FUNDAMENTAL INTERACTIONS LA English DT Proceedings Paper CT 23rd Annual Lake-Louise Winter Institute CY FEB 18-23, 2008 CL Alberta, CANADA SP Univ Alberta, TRIUMF, Inst Particle Phys AB We present new measurements on the B(s)(0) system from the CDF experiment obtained with more than 1.0 fb(-1) of data. Using the Bs0 -> J/psi phi decay mode, we measure an average lifetime tau and decay width difference Delta Gamma of B(s)(L) and B(s)(H) eigenstates. Applying flavor tagging to that decay, we also obtain bounds on the CP phase beta(s), analogous to the angle beta in the B(0) system. Additional sensitivity to beta(s) is obtained through the measurement of the semileptonic decay asymmetry A(SL)(s). We also use fully and partially reconstructed B(s)(0) -> D(s)pi decays to obtain a new precise measurement of the average B(s)(0) lifetime. C1 Univ Pittsburgh, CDF MS 318, Fermi Natl Accelerator Lab, Batavia, IL 60510 USA. RP Liu, CL (reprint author), Univ Pittsburgh, CDF MS 318, Fermi Natl Accelerator Lab, Batavia, IL 60510 USA. EM chl56@pitt.edu NR 9 TC 0 Z9 0 U1 0 U2 0 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA PO BOX 128 FARRER RD, SINGAPORE 9128, SINGAPORE BN 978-981-4280-93-8 PY 2009 BP 303 EP 307 DI 10.1142/9789814280945_0039 PG 5 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA BRE87 UT WOS:000282533300039 ER PT B AU Rakitin, A AF Rakitin, A. CA DO Collaboration BE Astbury, A Penin, A Khanna, F Moore, R Czarnecki, A TI RECENT B PHYSICS RESULTS AT DO SO FUNDAMENTAL INTERACTIONS LA English DT Proceedings Paper CT 23rd Annual Lake-Louise Winter Institute CY FEB 18-23, 2008 CL Alberta, CANADA SP Univ Alberta, TRIUMF, Inst Particle Phys AB The DO Collaboration is pursuing a broad B-physics program including spectroscopy, B decays, B(s) oscillations, B lifetime measurements and CP-violation studies. This talk will be devoted to some highlights of the large variety of B-physics analyses performed using up to 2.7 fb(-1) of proton-antiproton collisions collected with the DO detector in the Tevatron Run II from 2002 to 2007. C1 [Rakitin, A.; DO Collaboration] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Rakitin, A (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM rakitin@fnal.gov NR 13 TC 0 Z9 0 U1 0 U2 0 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA PO BOX 128 FARRER RD, SINGAPORE 9128, SINGAPORE BN 978-981-4280-93-8 PY 2009 BP 343 EP 347 DI 10.1142/9789814280945_0047 PG 5 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA BRE87 UT WOS:000282533300047 ER PT S AU Esbensen, H Misicu, S Carstoiu, F AF Esbensen, Henning Misicu, Serban Carstoiu, Florin BE Rehm, KE Back, BB Esbensen, H Lister, CJ TI Density-dependence of effective n-n forces and the hindrance in extreme sub-barrier fusion SO FUSION 08 SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Conference on New Aspects of Heavy Ion Collisions Near the Coulomb Barrier CY SEP 22-26, 2008 CL Chicago, IL SP Phys Div, Argonne Natl Lab, Canberra Eurisys, Micron-Semiconductor, Ortec, Wiener, Plein & Baus DE nucleon-nucleon forces; sub-barrier fusion; nuclear equation of state ID SPHERICAL NUCLEI; ENERGIES AB We present our investigations of double-folding, heavy-ion potentials and of the role played by nucleon-nucleon interactions that incorporate medium effects in accordance with the saturation properties of nuclear matter. The dependence on the medium is included directly via a repulsive term in the heavy-ion potential, and/or via a density dependent term as in the case of zero-or finite-range forces in mean-field nuclear structure calculations. We illustrate this point with the coupled-channels calculations we performed for systems that display a hindrance in fusion at deep sub-barrier energies. C1 [Esbensen, Henning] Argonne Natl Lab, Div Phys, 9700 S Cass Ave,Bldg 203, Argonne, IL 60439 USA. [Misicu, Serban; Carstoiu, Florin] NIPNE HH, Dept Phys Theoret, Bucharest, Magurele, Romania. RP Esbensen, H (reprint author), Argonne Natl Lab, Div Phys, 9700 S Cass Ave,Bldg 203, Argonne, IL 60439 USA. EM esbensen@phy.anl.gov; misicu@theory.nipne.ro RI Misicu, Serban/B-6860-2011 FU U.S Department of Energy; Office of Nuclear Physics [DE-AC02-06H11357]; CNCSIS Romania [PN-II-PCE-2007-I] FX This work was supported ( H.E. and S.M.) by the U.S Department of Energy, Office of Nuclear Physics, under Contrace No. DE-AC02-06H11357, and CNCSIS Romania, under Program PN-II-PCE-2007-I, Contract No.49. NR 25 TC 0 Z9 0 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0631-5 J9 AIP CONF PROC PY 2009 VL 1098 BP 26 EP + PG 2 WC Physics, Nuclear SC Physics GA BJF74 UT WOS:000265468600004 ER PT S AU Carpenter, MP Kondev, FG Janssens, RVF Seweryniak, D Khoo, TL Lauritsen, T Lister, CJ Zhu, S Camera, F Bracco, A Million, B Leoni, S Jenkins, DG Wadsworth, R AF Carpenter, M. P. Kondev, F. G. Janssens, R. V. F. Seweryniak, D. Khoo, T. L. Lauritsen, T. Lister, C. J. Zhu, S. Camera, F. Bracco, A. Million, B. Leoni, S. Jenkins, D. G. Wadsworth, R. BE Rehm, KE Back, BB Esbensen, H Lister, CJ TI Studies of Neutron-Deficient Nuclei Near the Z=82 Shell Closure via Cold Fusion Reactions SO FUSION 08 SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Conference on New Aspects of Heavy Ion Collisions Near the Coulomb Barrier CY SEP 22-26, 2008 CL Chicago, IL SP Phys Div, Argonne Natl Lab, Canberra Eurisys, Micron-Semiconductor, Ortec, Wiener, Plein & Baus DE Gammasphere ID SHAPE COEXISTENCE AB Over the last decade, we have performed in-beam experiments using Gammasphere + FMA to measure excited states in proton-rich Au, Hg, Tl and Ph isotopes. In these studies, the use of the FMA is essential in order to differentiate evaporation residues from the large fission background which dominates the reaction cross-section. In addition, we have found that using near-symmetric reactions at bombarding energies near the Coloumb barrier is beneficial in performing these studies. By keeping the bombarding energy low, fission is minimized and the reaction products are concentrated in only a few channels. New results have recently been obtained using the Zr-90+Mo-92 reaction to study shape co-existence in Tl-181 via the lp evaporation channel. In addition, we have measured the total gamma-ray energy and multiplicity associated with the surviving compund system, Au-179, following the fusion reaction, Zr-90 + Y-89. C1 [Carpenter, M. P.; Kondev, F. G.; Janssens, R. V. F.; Seweryniak, D.; Khoo, T. L.; Lauritsen, T.; Lister, C. J.; Zhu, S.] Argonne Natl Lab, Div Phys, Bldg 203,9700 S Cass Ave, Argonne, IL 60439 USA. [Jenkins, D. G.; Wadsworth, R.] Univ York, Dept Phys, York YO10 5DD, N Yorkshire, England. RP Carpenter, MP (reprint author), Argonne Natl Lab, Div Phys, Bldg 203,9700 S Cass Ave, Argonne, IL 60439 USA. EM carpenter@anl.gov; janssens@phy.anl.gov; khoo@anl.gov; lister@phy.anl.gov; dj4@york.ac.uk RI Carpenter, Michael/E-4287-2015 OI Carpenter, Michael/0000-0002-3237-5734 FU US Department of Energy; Office of Nuclear Physics [W-31-109-ENG-38] FX We would like to acknowledge the many collaborators who have assisted us in the studies presented here. This work is supported by the US Department of Energy, Office of Nuclear Physics, under contract no. W-31-109-ENG-38. NR 5 TC 2 Z9 2 U1 0 U2 3 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0631-5 J9 AIP CONF PROC PY 2009 VL 1098 BP 58 EP + PG 2 WC Physics, Nuclear SC Physics GA BJF74 UT WOS:000265468600009 ER PT S AU Wieleczko, JP Bonnet, E del Campo, JG La Commara, M Vigilante, M Frankland, JD Chbihi, A Rosato, E Spadaccini, G Galindo-Uribarri, AB Shapira, D Beck, C Borderie, B Bougault, R Dayras, R De Angelis, G Lautesse, P Le Neindre, N D'Onofrio, A Parlog, M Pierroutsakou, D Rejmund, F Rivet, MF Romoli, M Roy, R AF Wieleczko, J. P. Bonnet, E. del Campo, J. Gomez La Commara, M. Vigilante, M. Frankland, J. D. Chbihi, A. Rosato, E. Spadaccini, G. Galindo-Uribarri, A. B. Shapira, D. Beck, C. Borderie, B. Bougault, R. Dayras, R. De Angelis, G. Lautesse, P. Le Neindre, N. D'Onofrio, A. Parlog, M. Pierroutsakou, D. Rejmund, F. Rivet, M. F. Romoli, M. Roy, R. BE Rehm, KE Back, BB Esbensen, H Lister, CJ TI Influence of the N/Z ratio on Disintegration Modes of Compound Nuclei SO FUSION 08 SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Conference on New Aspects of Heavy Ion Collisions Near the Coulomb Barrier CY SEP 22-26, 2008 CL Chicago, IL SP Phys Div, Argonne Natl Lab, Canberra Eurisys, Micron-Semiconductor, Ortec, Wiener, Plein & Baus DE Fusion reactions; Light charged particles emission; Fission; Statistical models ID ROTATING NUCLEI; FEATURES; EMISSION; FISSION AB Investigations into the role of the N/Z ratio on the decay modes of compound nuclei are presented. Characteristics of fragments with atomic number 6 <= Z <= 28 and light charged particles emitted in Kr-78.82+Ca-40 at 5.5 MeV/A reactions were measured at the GANIL facility using the 47 pi-INDRA array. Data are compatible with an emission process from a compound nucleus. Persistence of structure effects and emission before full separation of fission fragments are evidenced from elemental cross-sections and coincidence data between light charged particles and fragments. Data are discussed in the framework of the transition state model. C1 [Wieleczko, J. P.; Bonnet, E.; Frankland, J. D.; Chbihi, A.; Rejmund, F.] GANIL, CEA, BP 55027,Blvd Henri Becquerel, F-14076 Caen 05, France. [del Campo, J. Gomez; Galindo-Uribarri, A. B.; Shapira, D.] Oak Ridge Natl Lab, Phys Div, Oak Ridge, TN 37831 USA. [La Commara, M.; Vigilante, M.; Spadaccini, G.; Pierroutsakou, D.] Univ Naples Federico II, Dept Sci Fisiche, I-80126 Naples, Italy. [Beck, C.] IN2P3 CNRS, IPHC, F-67037 Strasbourg, France. [Borderie, B.] Univ Paris 11, IN2P3 CNRS, IPNO, F-91406 Orsay, France. [Bougault, R.; Le Neindre, N.; Parlog, M.] ENSICAEN, IN2P3 CNRS, LPC, F-14050 Caen, France. [Dayras, R.] CEA Saclay, SPHN, IRFU, CEA, F-91191 Gif Sur Yvette, France. [De Angelis, G.] INFN, LNL, I-35020 Legnaro, Italy. [Lautesse, P.] IN2P3 CNRS, IPNL, F-69622 Villeurbanne, France. [D'Onofrio, A.] Univ Naples Federico II, Dept sci Ambiantali, I-80138 Naples, Italy. [Romoli, M.] Univ Naples Federico II, Dept Sci Fis, I-80138 Naples, Italy. [Roy, R.] Univ Laval, Lab Phys Nucl, Quebec City, PQ G1K 7P4, Canada. RP Wieleczko, JP (reprint author), GANIL, CEA, BP 55027,Blvd Henri Becquerel, F-14076 Caen 05, France. EM wieleczko@ganil.fr; shapirad@ornl.gov; christian.beck@ires.in2p3.fr RI Frankland, John/I-4768-2013; spadaccini, giulio/K-7633-2015 OI Frankland, John/0000-0002-4907-5041; spadaccini, giulio/0000-0002-6327-432X NR 9 TC 1 Z9 1 U1 1 U2 1 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0631-5 J9 AIP CONF PROC PY 2009 VL 1098 BP 64 EP + PG 2 WC Physics, Nuclear SC Physics GA BJF74 UT WOS:000265468600010 ER PT S AU Jenkins, DG Meadowcroft, A Pattabiraman, NS Seweryniak, D Lister, CJ Carpenter, MP Janssens, RVF Rehm, KE Lauritsen, T Zhu, S Woods, PJ Davinson, T Lotay, GJ Jose, J AF Jenkins, D. G. Meadowcroft, A. Pattabiraman, N. S. Seweryniak, D. Lister, C. J. Carpenter, M. P. Janssens, R. V. F. Rehm, K. E. Lauritsen, T. Zhu, S. Woods, P. J. Davinson, T. Lotay, G. J. Jose, J. BE Rehm, KE Back, BB Esbensen, H Lister, CJ TI Indirect nuclear physics techniques for studying nova nucleosynthesis SO FUSION 08 SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Conference on New Aspects of Heavy Ion Collisions Near the Coulomb Barrier CY SEP 22-26, 2008 CL Chicago, IL SP Phys Div, Argonne Natl Lab, Canberra Eurisys, Micron-Semiconductor, Ortec, Wiener, Plein & Baus DE Nuclear astrophysics; Gamma-ray spectroscopy; Mirror symmetry ID PRESOLAR GRAINS AB Classical novae are a site of explosive nucleosynthesis where hydrogen rich material from a companion giant star accretes onto the surface of a white warf. Critical to our understanding of nova explosions are proton-capture reaction rates involved in the nucleosynthesis. While. ideally, all of the relevant (p,gamma) reactions would be measured directly, in practice, such measurements are very challenging and are only possible in a few cases. This provides considerable scope for indirect measurements including transfer reactions, mass measurements, beta-decay and gamma-ray spectroscopy. The latter technique, until recently largely neglected as an input in nuclear astrophysics analyses. has clear advantages in locating resonances with high energy precision and assisting in determining the spin and parity of resonances. Such information is very valuable in a complementary approach to indirect determinations of key reaction rates. C1 [Jenkins, D. G.; Meadowcroft, A.; Pattabiraman, N. S.] Univ York, Dept Phys, York YO10 5DD, N Yorkshire, England. [Seweryniak, D.; Lister, C. J.; Carpenter, M. P.; Rehm, K. E.; Lauritsen, T.; Zhu, S.] Argonne Natl Lab, Phys Div, Argonne, IL 60439 USA. [Woods, P. J.; Lotay, G. J.] Univ Edinburgh, Dept Phys & Astron, Edinburgh EH9 3JZ, Midlothian, Scotland. [Jose, J.] IEEC, E-08034 Barcelona, Spain. RP Jenkins, DG (reprint author), Univ York, Dept Phys, York YO10 5DD, N Yorkshire, England. EM dj4@york.ac.uk; lister@phy.anl.gov; carpenter@anl.gov; janssens@phy.anl.gov; rehm@anl.gov RI Carpenter, Michael/E-4287-2015 OI Carpenter, Michael/0000-0002-3237-5734 FU U.S.Department of Energy; Office of Nuclear Physics [DE-AC02-06CH11357]; UK EPSRC; STFC FX This work was supported in part by the U.S.Department of Energy, Office of Nuclear Physics, under Contract DE-AC02-06CH11357, and by the UK EPSRC and STFC. NR 14 TC 0 Z9 0 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0631-5 J9 AIP CONF PROC PY 2009 VL 1098 BP 82 EP + PG 2 WC Physics, Nuclear SC Physics GA BJF74 UT WOS:000265468600013 ER PT S AU Jiang, CL AF Jiang, C. L. BE Rehm, KE Back, BB Esbensen, H Lister, CJ TI Heavy-ion fusion hindrance and its implication on astrophysics SO FUSION 08 SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Conference on New Aspects of Heavy Ion Collisions Near the Coulomb Barrier CY SEP 22-26, 2008 CL Chicago, IL SP Phys Div, Argonne Natl Lab, Canberra Eurisys, Micron-Semiconductor, Ortec, Wiener, Plein & Baus DE Heavy-ion reactions; Sub-barrier fusion; Hindrance; Astrophysics; Nucleosynthesis ID ACCRETING NEUTRON-STAR AB The recently observed heavy-ion fusion hindrance at extreme sub-barrier energies is reviewed. The study is extended to lighter heavy-ion fusion reactions. A new measured result for Si-28 + 30Si (Q=14.3 MeV) is presented. A systematics for reaction systems with positive Q-values has been developed. The impact of the hindrance phenomenon on astrophysics is discussed. C1 Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. RP Jiang, CL (reprint author), Argonne Natl Lab, Div Phys, Bldg 203,9700 S Cass Ave, Argonne, IL 60439 USA. NR 25 TC 1 Z9 1 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0631-5 J9 AIP CONF PROC PY 2009 VL 1098 BP 145 EP 152 PG 8 WC Physics, Nuclear SC Physics GA BJF74 UT WOS:000265468600023 ER PT S AU Jones, KJ Pain, SD Kozub, RL Adekola, AS Bardayan, DW Blackmon, JC Catford, WN Chae, KY Chipps, K Cizewski, JA Erikson, L Gaddis, AL Greife, U Grzywacz, R Harlin, C Hatarik, R Howard, JA James, J Kapler, R Krolas, W Liang, JF Ma, Z Matei, C Moazen, BH Nesaraja, CD O'Malley, PD Patterson, NP Paulauskas, SV Shapira, D Shriner, JF Sikora, M Sissom, DJ Smith, MS Swan, TP Thomas, JS Wilson, GL AF Jones, K. J. Pain, S. D. Kozub, R. L. Adekola, A. S. Bardayan, D. W. Blackmon, J. C. Catford, W. N. Chae, K. Y. Chipps, K. Cizewski, J. A. Erikson, L. Gaddis, A. L. Greife, U. Grzywacz, R. Harlin, C. Hatarik, R. Howard, J. A. James, J. Kapler, R. Krolas, W. Liang, J. F. Ma, Z. Matei, C. Moazen, B. H. Nesaraja, C. D. O'Malley, P. D. Patterson, N. P. Paulauskas, S. V. Shapira, D. Shriner, J. F., Jr. Sikora, M. Sissom, D. J. Smith, M. S. Swan, T. P. Thomas, J. S. Wilson, G. L. BE Rehm, KE Back, BB Esbensen, H Lister, CJ TI Studies of nuclei close to Sn-132 using single-neutron transfer reactions SO FUSION 08 SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Conference on New Aspects of Heavy Ion Collisions Near the Coulomb Barrier CY SEP 22-26, 2008 CL Chicago, IL SP Phys Div, Argonne Natl Lab, Canberra Eurisys, Micron-Semiconductor, Ortec, Wiener, Plein & Baus DE Transfer reactions; Single-particle levels and strength functions; Nuclear physics aspects of novae; supernovae; other explosive environments AB Neutron transfer reactions were performed in inverse kinematics using radioactive ion beams of Sn-132, Sn-130, and Te-134 and deuterated polyethylene targets. Preliminary results are Sn-133, Sn-131 and, presented. The Q-value spectra for Te-135 reveal a number of previously unobserved peaks. The angular distributions are compatible with the expected If(7/2) nature of the g-round state of Sn-133, and 2P(3/2) for the 3.4 MeV state in Sn-131. C1 [Jones, K. J.; Chae, K. Y.; Grzywacz, R.; Kapler, R.; Ma, Z.; Moazen, B. H.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Jones, K. J.; Cizewski, J. A.; Gaddis, A. L.; Sikora, M.] Rutgers State Univ, Dept Phys & Astron, New Brunswick, NJ 08903 USA. [Howard, J. A.; Kapler, R.] Colorado Sch Mines, Dept Phys, Golden, CO 80401 USA. [Pain, S. D.; Bardayan, D. W.; Blackmon, J. C.; Liang, J. F.; Nesaraja, C. D.; Smith, M. S.] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. [Kozub, R. L.; Howard, J. A.; O'Malley, P. D.; Paulauskas, S. V.; Shriner, J. F., Jr.; Sissom, D. J.] Tennessee Technol Univ, Dept Phys, Cookeville, TN 38505 USA. [Adekola, A. S.] Ohio Univ, Dept Phys & Astron, Athens, OH 45701 USA. [Catford, W. N.; Harlin, C.; Patterson, N. P.; Swan, T. P.; Wilson, G. L.] Univ Surrey, Dept Phys, Surrey GU2 7XH, England. [Gaddis, A. L.] Furman Univ, Dept Phys, Greenville, SC 29613 USA. [Krolas, W.] Inst Phys Nucl, PAN, Krakow, Poland. [Matei, C.] Oak Ridge Associated Univ, Oak Ridge, TN 37831 USA. RP Jones, KJ (reprint author), Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. EM wojciech.krolas@ifj.edu.pl; liangjf@ornl.gov; shapirad@ornl.gov RI Pain, Steven/E-1188-2011; Krolas, Wojciech/N-9391-2013; Jones, Katherine/B-8487-2011; Gaddis, Abigail/I-3085-2016; Matei, Catalin/B-2586-2008; OI Pain, Steven/0000-0003-3081-688X; Jones, Katherine/0000-0001-7335-1379; Gaddis, Abigail/0000-0001-7495-1552; Matei, Catalin/0000-0002-2254-3853; Nesaraja, Caroline/0000-0001-5571-8341 FU National Science Foundation [NSF-PHY-00-98800]; U.S. Department of Energy (Rutgers) [DE-FC03-03NA00143]; U.S. Department of Energy (ORNL) [DE-AC05-00OR22725]; U.S. Department of Energy (TTU) [DE-FG02-96-ER40955]; U.S. Department of Energy (Mines) [DE-FG03-93ER40789]; LDRD program of ORNL FX This work was funded in part by the National Science Foundation under contract number NSF-PHY-00-98800; the U.S. Department of Energy under contract numbers DE-FC03-03NA00143 (Rutgers), DE-AC05-00OR22725 (ORNL), DE-FG02-96-ER40955 (TTU), and DE-FG03-93ER40789 (Mines); and the LDRD program of ORNL. KLJ would like to thank the English-Speaking Union and the Lindemann Trust Committee. NR 14 TC 5 Z9 5 U1 0 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0631-5 J9 AIP CONF PROC PY 2009 VL 1098 BP 153 EP + PG 3 WC Physics, Nuclear SC Physics GA BJF74 UT WOS:000265468600024 ER PT S AU Lee, HY Goodman, NJ Jiang, CL Lighthall, JC Marley, ST Notani, M Pardo, RC Patel, N Rehm, KE Schiffer, JP Tang, X Wuosmaa, AH AF Lee, H. Y. Goodman, N. J. Jiang, C. L. Lighthall, J. C. Marley, S. T. Notani, M. Pardo, R. C. Patel, N. Rehm, K. E. Schiffer, J. P. Tang, X. Wuosmaa, A. H. BE Rehm, KE Back, BB Esbensen, H Lister, CJ TI B-12(n,gamma) - the influence on r-process nucleosynthesis of light elements SO FUSION 08 SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Conference on New Aspects of Heavy Ion Collisions Near the Coulomb Barrier CY SEP 22-26, 2008 CL Chicago, IL SP Phys Div, Argonne Natl Lab, Canberra Eurisys, Micron-Semiconductor, Ortec, Wiener, Plein & Baus DE r-process; DWBA cross section; spectroscopic factor; branching ratio; reaction rate ID ASYMMETRIC SUPERNOVAE; ENERGY-LEVELS; NUCLEI; JETS AB Because of interest in the B-11,B-12(n,gamma) reaction in seeding r-process nucleosynthesis through light neutron-rich nuclei, we have measured the B-12(d,p) reaction for the first time using the ATLAS in-flight facility at Argonne National Laboratory. We also measured the B-11(d,p) reaction in the same way for calibration. The spectroscopic factors of excited states and the branching ratio of the neutron-unbound state in B-12 are obtained from the current experiment and the reaction rate for B-11(n,gamma) is discussed in comparison with the theoretical prediction. C1 [Lee, H. Y.; Jiang, C. L.; Lighthall, J. C.; Marley, S. T.; Notani, M.; Pardo, R. C.; Patel, N.; Rehm, K. E.; Schiffer, J. P.; Tang, X.; Wuosmaa, A. H.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. RP Lee, HY (reprint author), Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. RI Tang, Xiaodong /F-4891-2016 FU U.S. Department of Energy; Office of Nucler Physics [DE-AC02-06CH11357]; (ANL) [DE-FG02-04ER41320]; (WMU); University of Notre Dame acknowledge; National Science Foundation [PHY01-40324]; Joint Institute for Nuclear Astrophysics; NSF-PFC [PHY02-16783] FX Work is supported by the U.S. Department of Energy, Office of Nucler Physics, under contract DE-AC02-06CH11357 (ANL) and DE-FG02-04ER41320 (WMU). Authors from the University of Notre Dame acknowledge support from the National Science Foundation under grant PHY01-40324, and the Joint Institute for Nuclear Astrophysics, NSF-PFC under grant PHY02-16783. NR 21 TC 1 Z9 1 U1 0 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0631-5 J9 AIP CONF PROC PY 2009 VL 1098 BP 169 EP + PG 2 WC Physics, Nuclear SC Physics GA BJF74 UT WOS:000265468600026 ER PT S AU Patel, NR Greife, U Rehm, KE Deibel, CM Greene, J Henderson, D Jiang, CL Kay, BP Lee, HY Marley, ST Notani, M Pardo, R Tang, XD Teh, K AF Patel, N. R. Greife, U. Rehm, K. E. Deibel, C. M. Greene, J. Henderson, D. Jiang, C. L. Kay, B. P. Lee, H. Y. Marley, S. T. Notani, M. Pardo, R. Tang, X. D. Teh, K. BE Rehm, KE Back, BB Esbensen, H Lister, CJ TI Experiments to Further the Understanding of the Triple-Alpha Process in Hot Astrophysical Scenarios SO FUSION 08 SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Conference on New Aspects of Heavy Ion Collisions Near the Coulomb Barrier CY SEP 22-26, 2008 CL Chicago, IL SP Phys Div, Argonne Natl Lab, Canberra Eurisys, Micron-Semiconductor, Ortec, Wiener, Plein & Baus DE Carbon nucleosynthesis; triple-alpha process; B-12 and N-12 beta-decay; Argonne ID BETA-DECAY; C-12; B-12; PARTICLES; RATES; STATE AB In astrophysics, the first excited 0(+) state of C-12 at 7.654 MeV (Hoyle state) is the most important in the triple-cc process for carbon nucleosynthesis. In explosive scenarios like supernovae, where temperatures of several 10(9) K are achieved, the interference of the Hoyle state with the second 0+ state located at 10.3 MeV in C-12 becomes significant. The recent NACRE compilation of astrophysical reaction rates assumes a 2(+) resonance at 9.1 MeV for which no experimental evidence exists. Thus, it is critical to explore in more detail the 7-10 MeV excitation energy region, especially the minimum between the two 0(+) resonances for carbon nucleosynthesis. The states in C-12 were populated through the beta-decay of B-12 and N-12 produced at the ATLAS (Argonne Tandem Linac Accelerator System) in-flight facility. The decay or C-12 into three alphas is detected in a Frisch grid twin ionization chamber, acting as a low-threshold calorimeter. This minimizes the effects of beta-summing and allowed us to investigate the minimum above the Hoyle state with much higher accuracy than previously possible. A detailed data analysis will include an R-matrix fit to determine an upper limit on the 2(+) resonance width. C1 [Patel, N. R.; Greife, U.] Colorado Sch Mines, Dept Phys, Golden, CO 80401 USA. [Rehm, K. E.; Deibel, C. M.; Greene, J.; Henderson, D.; Jiang, C. L.; Kay, B. P.; Lee, H. Y.; Marley, S. T.; Notani, M.; Pardo, R.; Teh, K.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. [Deibel, C. M.; Notani, M.] Michigan State Univ, Joint Inst Nucl Astrophys, E Lansing, MI 48824 USA. [Marley, S. T.] Western Michigan Univ, Dept Phys, Kalamazoo, MI 49008 USA. [Tang, X. D.] Univ Notre Dame, Dept Phys, Notre Dame, IN 46556 USA. RP Patel, NR (reprint author), Colorado Sch Mines, Dept Phys, Golden, CO 80401 USA. RI Kay, Benjamin/F-3291-2011 OI Kay, Benjamin/0000-0002-7438-0208 FU U. S. Department of Energy; Office of Nuclear Physics [DE-AC02-06CH11357]; (ANL) [DE-FG02-04ER41320]; University of Notre Dame acknowledge; National Science Foundation [PHY01-40324]; Joint Institute for Nuclear Astrophysics; NSF-PFC [PHY02-16783] FX This work is supported by the U. S. Department of Energy, Office of Nuclear Physics, under contract DE-AC02-06CH11357 (ANL) and DE-FG02-04ER41320 (WMU). Author from the University of Notre Dame acknowledge support from the National Science Foundation under grant PHY01-40324, and the Joint Institute for Nuclear Astrophysics, NSF-PFC under grant PHY02-16783. NR 14 TC 1 Z9 1 U1 0 U2 1 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0631-5 J9 AIP CONF PROC PY 2009 VL 1098 BP 181 EP + PG 2 WC Physics, Nuclear SC Physics GA BJF74 UT WOS:000265468600028 ER PT S AU Courtin, S Lebhertz, D Haas, F Beek, C Hutcheon, DA Jenkins, DG Lister, CJ Marley, P Michalon, A Salsac, MD AF Courtin, S. Lebhertz, D. Haas, F. Beek, C. Hutcheon, D. A. Jenkins, D. G. Lister, C. J. Marley, P. Michalon, A. Salsac, M. -D. BE Rehm, KE Back, BB Esbensen, H Lister, CJ TI A New Decay Path in the C-12+O-16 Radiative Capture Reaction SO FUSION 08 SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Conference on New Aspects of Heavy Ion Collisions Near the Coulomb Barrier CY SEP 22-26, 2008 CL Chicago, IL SP Phys Div, Argonne Natl Lab, Canberra Eurisys, Micron-Semiconductor, Ortec, Wiener, Plein & Baus DE Cluster; radiative capture; resonance; recoil spectrometer ID SI-28; RESONANCES AB The C-12(O-16,gamma)Si-28 radiative capture reaction has been studied at energies close to the Coulomb barrier at Triumf (Vancouver) using the Dragon spectrometer and its associated BGO array. It has been observed that the gamma decay flux proceeds mainly via states around 10-11 MeV and via the direct feeding of the Si-28 3(1)(-) (6879 keV) and 4(2)(+) (6888 keV) deformed states. A discussion is presented about this selective feeding as well as perspectives for the use of novel detection systems for the study of light heavy-ion radiative capture reactions. C1 [Courtin, S.; Lebhertz, D.; Haas, F.; Beek, C.; Michalon, A.; Salsac, M. -D.] CNRS, ULP, IPHC DRS, IN2P3, 23 Rue Loess, F-67037 Strasbourg, France. [Hutcheon, D. A.] TRIUMF, Vancouver, BC V6T 2A3, Canada. [Jenkins, D. G.; Marley, P.] Univ York, Dept Phys, York YO10 5DD, N Yorkshire, England. [Lister, C. J.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. RP Courtin, S (reprint author), CNRS, ULP, IPHC DRS, IN2P3, 23 Rue Loess, F-67037 Strasbourg, France. NR 7 TC 0 Z9 0 U1 0 U2 1 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0631-5 J9 AIP CONF PROC PY 2009 VL 1098 BP 187 EP + PG 2 WC Physics, Nuclear SC Physics GA BJF74 UT WOS:000265468600029 ER EF