FN Thomson Reuters Web of Science™ VR 1.0 PT J AU Walworth, N Pfreundt, U Nelson, WC Mincer, T Heidelberg, JF Fu, FX Waterbury, JB del Rio, TG Goodwin, L Kyrpides, NC Land, ML Woyke, T Hutchins, DA Hess, WR Webb, EA AF Walworth, Nathan Pfreundt, Ulrike Nelson, William C. Mincer, Tracy Heidelberg, John F. Fu, Feixue Waterbury, John B. del Rio, Tijana Glavina Goodwin, Lynne Kyrpides, Nikos C. Land, Miriam L. Woyke, Tanja Hutchins, David A. Hess, Wolfgang R. Webb, Eric A. TI Trichodesmium genome maintains abundant, widespread noncoding DNA in situ, despite oligotrophic lifestyle SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE marine microbiology; oligotrophic; evolution genomics; nitrogen fixation ID NORTH-ATLANTIC OCEAN; PACIFIC-OCEAN; NITROGEN-FIXATION; N-2 FIXATION; CROCOSPHAERA-WATSONII; MARINE SYNECHOCOCCUS; CARBON SEQUESTRATION; STRUCTURE PREDICTION; BACTERIAL GENOMES; TANDEM REPEATS AB Understanding the evolution of the free-living, cyanobacterial, diazotroph Trichodesmium is of great importance because of its critical role in oceanic biogeochemistry and primary production. Unlike the other > 150 available genomes of free-living cyanobacteria, only 63.8% of the Trichodesmium erythraeum (strain IMS101) genome is predicted to encode protein, which is 20-25% less than the average for other cyanobacteria and nonpathogenic, free-living bacteria. We use distinctive isolates and metagenomic data to show that low coding density observed in IMS101 is a common feature of the Trichodesmium genus, both in culture and in situ. Transcriptome analysis indicates that 86% of the noncoding space is expressed, although the function of these transcripts is unclear. The density of noncoding, possible regulatory elements predicted in Trichodesmium, when normalized per intergenic kilobase, was comparable and twofold higher than that found in the gene-dense genomes of the sympatric cyanobacterial genera Synechococcus and Prochlorococcus, respectively. Conserved Trichodesmium noncoding RNA secondary structures were predicted between most culture and metagenomic sequences, lending support to the structural conservation. Conservation of these intergenic regions in spatiotemporally separated Trichodesmium populations suggests possible genus-wide selection for their maintenance. These large intergenic spacers may have developed during intervals of strong genetic drift caused by periodic blooms of a subset of genotypes, which may have reduced effective population size. Our data suggest that transposition of selfish DNA, low effective population size, and high-fidelity replication allowed the unusual "inflation" of noncoding sequence observed in Trichodesmium despite its oligotrophic lifestyle. C1 [Walworth, Nathan; Heidelberg, John F.; Fu, Feixue; Hutchins, David A.; Webb, Eric A.] Univ So Calif, Dept Biol Sci, Los Angeles, CA 90089 USA. [Pfreundt, Ulrike; Hess, Wolfgang R.] Univ Freiburg, Genet & Expt Bioinformat, D-79098 Freiburg, Germany. [Nelson, William C.] Pacific NW Natl Lab, Fundamental & Computat Sci, Richland, WA 99352 USA. [Mincer, Tracy] Woods Hole Oceanog Inst, Dept Marine Chem & Geochem, Woods Hole, MA 02543 USA. [Waterbury, John B.] Woods Hole Oceanog Inst, Dept Biol, Woods Hole, MA 02543 USA. [del Rio, Tijana Glavina; Goodwin, Lynne; Kyrpides, Nikos C.; Woyke, Tanja] Joint Genome Inst, Walnut Creek, CA 94598 USA. [Land, Miriam L.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Webb, EA (reprint author), Univ So Calif, Dept Biol Sci, Los Angeles, CA 90089 USA. EM eawebb@usc.edu RI Land, Miriam/A-6200-2011; Nelson, William/E-9263-2016; Kyrpides, Nikos/A-6305-2014; OI Land, Miriam/0000-0001-7102-0031; Nelson, William/0000-0002-1873-3929; Kyrpides, Nikos/0000-0002-6131-0462; Heidelberg, John/0000-0003-0673-3224; Mincer, Tracy/0000-0002-4644-5609; Hess, Wolfgang/0000-0002-5340-3423 FU Office of Science of the Department of Energy [DE-AC02-05CH11231, DE-AC03-76SF00098]; National Science Foundation [OCE-1260490]; University of Southern California FX We thank Frank Larimer, Jill Sohm, Suzanne Edmands, Michael Lee, Christopher Dupont, and Andrew Allen for insightful discussions. The work conducted by the U.S. Department of Energy Joint Genome Institute is supported by the Office of Science of the Department of Energy under Contracts DE-AC02-05CH11231 and DE-AC03-76SF00098. Other portions of this work were supported by National Science Foundation Grant OCE-1260490 and the University of Southern California. NR 75 TC 8 Z9 8 U1 6 U2 24 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD APR 7 PY 2015 VL 112 IS 14 BP 4251 EP 4256 DI 10.1073/pnas.1422332112 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CF1EZ UT WOS:000352287800035 PM 25831533 ER PT J AU Schopf, P Mills, MJL Warshel, A AF Schopf, Patrick Mills, Matthew J. L. Warshel, Arieh TI The entropic contributions in vitamin B-12 enzymes still reflect the electrostatic paradigm SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE vitamin B-12 catalysis; entropy calculations; free-energy methods; EVB ID METHYLMALONYL-COA MUTASE; COENZYME B-12; BOND HOMOLYSIS; C BOND; ENZYMATIC-REACTIONS; CHEMICAL-REACTIONS; DEPENDENT MUTASES; CATALYSIS; MECHANISM; INSIGHTS AB The catalytic power of enzymes containing coenzyme B-12 has been, in some respects, the "last bastion" for the strain hypothesis. Our previous study of this system established by a careful sampling that the major part of the catalytic effect is due to the electrostatic interaction between the ribose of the ado group and the protein and that the strain contribution is very small. This finding has not been sufficiently appreciated due to misunderstandings of the power of the empirical valence bond (EVB) calculations and the need of sufficient sampling. Furthermore, some interesting new experiments point toward entropic effects as the source of the catalytic power, casting doubt on the validity of the electrostatic idea, at least, in the case of B-12 enzymes. Here, we focus on the observation of the entropic effects and on analyzing their origin. We clarify that our EVB approach evaluates free energies rather than enthalpies and demonstrate by using the restraint release (RR) approach that the observed entropic contribution to the activation barrier is of electrostatic origin. Our study illustrates the power of the RR approach by evaluating the entropic contributions to catalysis and provides further support to our paradigm for the origin of the catalytic power of B-12 enzymes. Overall, our study provides major support to our electrostatic preorganization idea and also highlights the basic requirements from ab initio quantum mechanics/molecular mechanics calculations of activation free energies of enzymatic reactions. C1 [Schopf, Patrick; Warshel, Arieh] Univ So Calif, Dept Chem, Los Angeles, CA 90089 USA. [Mills, Matthew J. L.] Joint BioEnergy Inst, Deconstruct Div, Emeryville, CA 94608 USA. [Mills, Matthew J. L.] Sandia Natl Labs, Biomass Sci & Convers Technol Dept, Livermore, CA 94550 USA. RP Warshel, A (reprint author), Univ So Calif, Dept Chem, Los Angeles, CA 90089 USA. EM schopf.patrick@gmail.com; warshel@usc.edu FU National Institutes of Health [GM24492] FX We thank the High Performance Computing Center at the University of Southern California, Los Angeles, for computer time. This work was supported by Grant GM24492 from the National Institutes of Health. NR 44 TC 4 Z9 4 U1 2 U2 23 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD APR 7 PY 2015 VL 112 IS 14 BP 4328 EP 4333 DI 10.1073/pnas.1503828112 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CF1EZ UT WOS:000352287800048 PM 25805820 ER PT J AU Jastrab, JB Wang, T Murphy, JP Bai, L Hu, K Merkx, R Huang, J Chatterjee, C Ovaa, H Gygi, SP Li, HL Darwin, KH AF Jastrab, Jordan B. Wang, Tong Murphy, J. Patrick Bai, Lin Hu, Kuan Merkx, Remco Huang, Jessica Chatterjee, Champak Ovaa, Huib Gygi, Steven P. Li, Huilin Darwin, K. Heran TI An adenosine triphosphate-independent proteasome activator contributes to the virulence of Mycobacterium tuberculosis SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE mycobacterium; tuberculosis; proteasome; activator; degradation ID REG-GAMMA-PROTEASOME; 20S PROTEASOME; ESCHERICHIA-COLI; EUKARYOTIC PROTEASOME; ANTIGEN PRESENTATION; STRUCTURAL BASIS; ION-GENE; PROTEIN; GATE; PATHWAY AB Mycobacterium tuberculosis encodes a proteasome that is highly similar to eukaryotic proteasomes and is required to cause lethal infections in animals. The only pathway known to target proteins for proteasomal degradation in bacteria is pupylation, which is functionally analogous to eukaryotic ubiquitylation. However, evidence suggests that the M. tuberculosis proteasome contributes to pupylation-independent pathways as well. To identify new proteasome cofactors that might contribute to such pathways, we isolated proteins that bound to proteasomes overproduced in M. tuberculosis and found a previously uncharacterized protein, Rv3780, which formed rings and capped M. tuberculosis proteasome core particles. Rv3780 enhanced peptide and protein degradation by proteasomes in an adenosine triphosphate (ATP)-independent manner. We identified putative Rv3780-dependent proteasome substrates and found that Rv3780 promoted robust degradation of the heat shock protein repressor, HspR. Importantly, an M. tuberculosis Rv3780 mutant had a general growth defect, was sensitive to heat stress, and was attenuated for growth in mice. Collectively, these data demonstrate that ATP-independent proteasome activators are not confined to eukaryotes and can contribute to the virulence of one the world's most devastating pathogens. C1 [Jastrab, Jordan B.; Darwin, K. Heran] NYU, Sch Med, Dept Microbiol, New York, NY 10016 USA. [Wang, Tong; Bai, Lin; Hu, Kuan; Li, Huilin] Brookhaven Natl Lab, Dept Biosci, Upton, NY 11973 USA. [Murphy, J. Patrick; Gygi, Steven P.] Harvard Univ, Sch Med, Dept Cell Biol, Boston, MA 02115 USA. [Hu, Kuan; Li, Huilin] SUNY Stony Brook, Dept Biochem & Cell Biol, Stony Brook, NY 11794 USA. [Merkx, Remco; Ovaa, Huib] Netherlands Canc Inst, Div Cell Biol, NL-1066 CX Amsterdam, Netherlands. [Huang, Jessica; Chatterjee, Champak] Univ Washington, Dept Chem, Seattle, WA 98195 USA. RP Darwin, KH (reprint author), NYU, Sch Med, Dept Microbiol, New York, NY 10016 USA. EM heran.darwin@med.nyu.edu FU NIH [T32 AI007180, F30 AI110067, AI070285, GM110430, AI088075]; Irma T. Hirschl Charitable Trust FX We thank Alfred Goldberg, Olga Kandror, and Tatos Akopian for suggesting the use of the LF-2 peptide; Michael S. Glickman and Allison J. Faye for sharing pAJF381; Stevan Hubbard and Ching-Shin Huang for assistance with the SEC-MALS analysis; Andrew Darwin, Ian Mohr, and Victor Torres for helpful discussions; and Charlie Rice and The Rockefeller University for space and support during the 15 months after Hurricane Sandy. J.B.J. was supported by NIH Grants T32 AI007180 and F30 AI110067. H.L. was supported by NIH Grant AI070285. C.C. was supported by NIH Grant GM110430. K.H.D. was supported by NIH Grant AI088075 and the Irma T. Hirschl Charitable Trust, and holds an Investigators in the Pathogenesis of Infectious Diseases Award from the Burroughs Wellcome Fund. NR 77 TC 7 Z9 7 U1 1 U2 10 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD APR 7 PY 2015 VL 112 IS 14 BP E1763 EP E1772 DI 10.1073/pnas.1423319112 PG 10 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CF1EZ UT WOS:000352287800012 PM 25831519 ER PT J AU Ren, A Wang, XC Kellenberger, CA Rajashankar, KR Jones, RA Hammond, MC Patel, DJ AF Ren, Aiming Wang, Xin C. Kellenberger, Colleen A. Rajashankar, Kanagalaghatta R. Jones, Roger A. Hammond, Ming C. Patel, Dinshaw J. TI Structural Basis for Molecular Discrimination by a 3 ',3 '-cGAMP Sensing Riboswitch SO CELL REPORTS LA English DT Article ID CYCLIC GMP-AMP; C-DI-AMP; BACTERIAL 2ND-MESSENGER; NUCLEIC-ACIDS; CYTOSOLIC DNA; EUBACTERIA SENSE; YDAO RIBOSWITCH; LIGAND-BINDING; RECOGNITION; RNA AB Cyclic dinucleotides are second messengers that target the adaptor STING and stimulate the innate immune response in mammals. Besides protein receptors, there are bacterial riboswitches that selectively recognize cyclic dinucleotides. We recently discovered a natural riboswitch that targets 3 ',3'-cGAMP, which is distinguished from the endogenous mammalian signal 2',3'-cGAMP by its backbone connectivity. Here, we report on structures of the aptamer domain of the 3',3'-cGAMP riboswitch from Geobacter in the 3',3'-cGAMP and c-di-GMP bound states. The riboswitch adopts a tuning forklike architecture with a junctional ligand-binding pocket and different orientations of the arms are correlated with the identity of the bound cyclic dinucleotide. Subsequent biochemical experiments revealed that specificity of ligand recognition can be affected by point mutations outside of the binding pocket, which has implications for both the assignment and reengineering of riboswitches in this structural class. C1 [Ren, Aiming; Patel, Dinshaw J.] Mem Sloan Kettering Canc Ctr, Struct Biol Program, New York, NY 10065 USA. [Wang, Xin C.; Kellenberger, Colleen A.; Hammond, Ming C.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Wang, Xin C.; Kellenberger, Colleen A.; Hammond, Ming C.] Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. [Rajashankar, Kanagalaghatta R.] Cornell Univ, Argonne Natl Lab, NE CAT, Dept Chem & Chem Biol,Adv Photon Source, Argonne, IL 60439 USA. [Jones, Roger A.] Rutgers State Univ, Dept Chem & Chem Biol, Piscataway, NJ 08854 USA. RP Hammond, MC (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM mingch@berkeley.edu; pateld@mskcc.org FU NIH [1 U19 CA179564, DP2 OD008677]; Department of Defense NDSEG fellowship; Career Award at the Scientific Interface from the Burroughs Wellcome Fund FX We thank the synchrotron beamline staff at the Argonne National laboratory for their assistance. D.J.P. was supported by NIH grant 1 U19 CA179564. M.C.H. was supported by NIH grant DP2 OD008677. C.A.K. was supported in part by a Department of Defense NDSEG fellowship. M.C.H. holds a Career Award at the Scientific Interface from the Burroughs Wellcome Fund. NR 42 TC 12 Z9 12 U1 3 U2 36 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 2211-1247 J9 CELL REP JI Cell Reports PD APR 7 PY 2015 VL 11 IS 1 BP 1 EP 12 DI 10.1016/j.celrep.2015.03.004 PG 12 WC Cell Biology SC Cell Biology GA CF1BY UT WOS:000352279800001 PM 25818298 ER PT J AU Su, CC Bolla, JR Kumar, N Radhakrishnan, A Long, F Delmar, JA Chou, TH Rajashankar, KR Shafer, WM Yu, EW AF Su, Chih-Chia Bolla, Jani Reddy Kumar, Nitin Radhakrishnan, Abhijith Long, Feng Delmar, Jared A. Chou, Tsung-Han Rajashankar, Kanagalaghatta R. Shafer, William M. Yu, Edward W. TI Structure and Function of Neisseria gonorrhoeae MtrF Illuminates a Class of Antimetabolite Efflux Pumps SO CELL REPORTS LA English DT Article ID P-AMINOBENZOYL-GLUTAMATE; ESCHERICHIA-COLI; ANTIMICROBIAL RESISTANCE; HYDROPHOBIC AGENTS; CRYSTAL-STRUCTURES; SYSTEM; TRANSPORTER; PROTEIN; FAMILY; SOFTWARE AB Neisseria gonorrhoeae is an obligate human pathogen and the causative agent of the sexually transmitted disease gonorrhea. The control of this disease has been compromised by the increasing proportion of infections due to antibiotic-resistant strains, which are growing at an alarming rate. N. gonorrhoeae MtrF is an integral membrane protein that belongs to the AbgT family of transporters for which no structural information is available. Here, we describe the crystal structure of MtrF, revealing a dimeric molecule with architecture distinct from all other families of transporters. MtrF is a bowl-shaped dimer with a solventfilled basin extending from the cytoplasm to halfway across the membrane bilayer. Each subunit of the transporter contains nine transmembrane helices and two hairpins, posing a plausible pathway for substrate transport. A combination of the crystal structure and biochemical functional assays suggests that MtrF is an antibiotic effluxpumpmediating bacterial resistance to sulfonamide antimetabolite drugs. C1 [Su, Chih-Chia; Long, Feng; Delmar, Jared A.; Chou, Tsung-Han; Yu, Edward W.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Bolla, Jani Reddy; Kumar, Nitin; Radhakrishnan, Abhijith; Yu, Edward W.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. [Rajashankar, Kanagalaghatta R.] Cornell Univ, Argonne Natl Lab, NE CAT, Argonne, IL 60439 USA. [Rajashankar, Kanagalaghatta R.] Cornell Univ, Argonne Natl Lab, Dept Chem & Chem Biol, Argonne, IL 60439 USA. [Shafer, William M.] Emory Univ, Sch Med, Dept Microbiol & Immunol, Atlanta, GA 30322 USA. [Shafer, William M.] VA Med Ctr, Labs Microbial Pathogenesis, Decatur, GA 30033 USA. [Shafer, William M.] Emory Univ, Emory Antibiot Resistance Ctr, Atlanta, GA 30322 USA. RP Yu, EW (reprint author), Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. EM ewyu@iastate.edu FU NIH [R37AI021150, R01GM086431]; VA Merit Award from the Medical Research Service of the Department of Veterans Affairs; Senior Research Career Scientist from the Medical Research Service of the Department of Veterans Affairs; National Institutes of General Medical Sciences [GM103403]; U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX This work was supported by NIH grants R37AI021150 (W.M.S.) and R01GM086431 (E.W.Y.) and a VA Merit Award (W.M.S.) from the Medical Research Service of the Department of Veterans Affairs. W.M.S. is the recipient of a Senior Research Career Scientist from the Medical Research Service of the Department of Veterans Affairs. We are grateful to Louis Messerle (University of Iowa) for providing us the (NH4)2W6(m-O)6(mu-Cl)6< /INF>Cl6 complex used in this study. We are very thankful to Marit Nilsen-Hamilton (Iowa State University) who generously made her radioactivity counter available for us. This work is based upon research conducted at the Northeastern Collaborative Access Team beamlines of the Advanced Photon Source, supported by an award GM103403 from the National Institutes of General Medical Sciences. Use of the Advanced Photon Source is supported by the U.S. Department of Energy, Office of Basic Energy Sciences, under contract no. DE-AC02-06CH11357. NR 47 TC 9 Z9 9 U1 1 U2 7 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 2211-1247 J9 CELL REP JI Cell Reports PD APR 7 PY 2015 VL 11 IS 1 BP 61 EP 70 DI 10.1016/j.celrep.2015.03.003 PG 10 WC Cell Biology SC Cell Biology GA CF1BY UT WOS:000352279800007 PM 25818299 ER PT J AU Campbell, JM Ellis, RK AF Campbell, John M. Ellis, R. Keith TI Higgs constraints from vector boson fusion and scattering SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE Hadronic Colliders; Monte Carlo Simulations ID APPROXIMATION; LHC AB We present results on 4-lepton + 2-jet production, the partonic processes most commonly described as vector boson pair production in the Vector Boson Fusion (VBF) mode. This final state contains diagrams that are mediated by Riggs boson exchange. We focus particularly on the high-mass behaviour of the Higgs boson mediated diagrams, which unlike on-shell production, gives information about the Higgs couplings without assumptions on the Higgs boson total width. We assess the sensitivity of the high-mass region to Higgs coupling strengths, considering all vector boson pair channels, W-W+, (WW +/-)-W-+/-, W(+/-)Z and ZZ. Because of the small background, the most promising mode is W+W+ which has sensitivity to Higgs couplings because of Higgs boson exchange in the t-channel. Using the Caola-Melnikov (CM) method, the off-shell couplings can be interpreted as bounds on the Higgs boson total width. We estimate the bound that can be obtained with current data, as well as the bounds that could be obtained at root 3 = 13 TeV in the VBF channel for data samples of 100 and 300 fb(-1). The CM method has already been successfully applied in the gluon fusion (GGF) production channel. The VBF production channel gives important complementary information, because both production and decay of the Higgs boson occur already at tree graph level. C1 [Campbell, John M.; Ellis, R. Keith] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Campbell, JM (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM johnmc@fnal.gov; ellis@fnal.gov FU US DOE [DE-C02-07CH11359] FX This research is supported by the US DOE under contract DE-C02-07CH11359. We are happy to acknowledge useful discussions with Estia Eichten and Chris Quigg. NR 39 TC 7 Z9 7 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1029-8479 J9 J HIGH ENERGY PHYS JI J. High Energy Phys. PD APR 7 PY 2015 IS 4 AR 030 DI 10.1007/JHEP04(2015)030 PG 18 WC Physics, Particles & Fields SC Physics GA CF6RE UT WOS:000352683000005 ER PT J AU Aartsen, MG Ackermann, M Adams, J Aguilar, JA Ahlers, M Ahrens, M Altmann, D Anderson, T Arguelles, C Arlen, TC Auffenberg, J Bai, X Barwick, SW Baum, V Bay, R Beatty, JJ Tjus, JB Becker, KH BenZvi, S Berghaus, P Berley, D Bernardini, E Bernhard, A Besson, DZ Binder, G Bindig, D Bissok, M Blaufuss, E Blumenthal, J Boersma, DJ Bohm, C Bos, F Bose, D Boser, S Botner, O Brayeur, L Bretz, HP Brown, AM Brunner, J Buzinsky, N Casey, J Casier, M Cheung, E Chirkin, D Christov, A Christy, B Clark, K Classen, L Clevermann, F Coenders, S Cowen, DF Silva, AHC Daughhetee, J Davis, JC Day, M de Andre, JPAM De Clercq, C De Ridder, S Desiati, P de Vries, KD de With, M De Young, T Diaz-Velez, JC Dunkman, M Eagan, R Eberhardt, B Eichmann, B Eisch, J Euler, S Evenson, PA Fadiran, O Fazely, AR Fedynitch, A Feintzeig, J Felde, J Feusels, T Filimonov, K Finley, C Fischer-Wasels, T Flis, S Franckowiak, A Frantzen, K Fuchs, T Gaisser, TK Gaior, R Gallagher, J Gerhardt, L Gier, D Gladstone, L Glusenkamp, T Goldschmidt, A Golup, G Gonzalez, JG Goodman, JA Gora, D Grant, D Gretskov, P Groh, JC Gross, A Ha, C Haack, C Ismail, AH Hallen, P Hallgren, A Halzen, F Hanson, K Hebecker, D Heereman, D Heinen, D Helbing, K Hellauer, R Hellwig, D Hickford, S Hill, GC Hoffman, KD Hoffmann, R Homeier, A Hoshina, K Huang, F Huelsnitz, W Hulth, PO Hultqvist, K Hussain, S Ishihara, A Jacobi, E Jacobsen, J Jagielski, K Japaridze, GS Jero, K Jlelati, O Jurkovic, M Kaminsky, B Kappes, A Karg, T Karle, A Kauer, M Keivani, A Kelley, JL Kheirandish, A Kiryluk, J Klas, J Klein, SR Kohne, JH Kohnen, G Kolanoski, H Koob, A Kopke, L Kopper, C Kopper, S Koskinen, DJ Kowalski, M Kriesten, A Krings, K Kroll, G Kroll, M Kunnen, J Kurahashi, N Kuwabara, T Labare, M Lanfranchi, JL Larsen, DT Larson, MJ Lesiak-Bzdak, M Leuermann, M Lunemann, J Madsen, J Maggi, G Maruyama, R Mase, K Matis, HS Maunu, R McNally, F Meagher, K Medici, M Meli, A Meures, T Miarecki, S Middell, E Middlemas, E Milke, N Miller, J Mohrmann, L Montaruli, T Morse, R Nahnhauer, R Naumann, U Niederhausen, H Nowicki, SC Nygren, DR Obertacke, A Odrowski, S Olivas, A Omairat, A O'Murchadha, A Palczewski, T Paul, L Penek, O Pepper, JA de los Heros, CP Pfendner, C Pieloth, D Pinat, E Posselt, J Price, PB Przybylski, GT Putz, J Quinnan, M Radel, L Rameez, M Rawlins, K Redl, P Rees, I Reimann, R Relich, M Resconi, E Rhode, W Richman, M Riedel, B Robertson, S Rodrigues, JP Rongen, M Rott, C Ruhe, T Ruzybayev, B Ryckbosch, D Saba, SM Sander, HG Sandroos, J Santander, M Sarkar, S Schatto, K Scheriau, F Schmidt, T Schmitz, M Schoenen, S Schoneberg, S Schonwald, A Schukraft, A Schulte, L Schulz, O Seckel, D Sestayo, Y Seunarine, S Shanidze, R Smith, MWE Soldin, D Spiczak, GM Spiering, C Stamatikos, M Stanev, T Stanisha, NA Stasik, A Stezelberger, T Stokstad, RG Stossl, A Strahler, EA Strom, R Strotjohann, NL Sullivan, GW Taavola, H Taboada, I Tamburro, A Tepe, A Ter-Antonyan, S Terliuk, A Tesic, G Tilav, S Toale, PA Tobin, MN Tosi, D Tselengidou, M Unger, E Usner, M Vallecorsa, S van Eijndhoven, N Vandenbroucke, J van Santen, J Vehring, M Voge, M Vraeghe, M Walck, C Wallraff, M Weaver, C Wellons, M Wendt, C Westerhoff, S Whelan, BJ Whitehorn, N Wichary, C Wiebe, K Wiebusch, CH Williams, DR Wissing, H Wolf, M Wood, TR Woschnagg, K Xu, DL Xu, XW Yanez, JP Yodh, G Yoshida, S Zarzhitsky, P Ziemann, J Zierke, S Zoll, M AF Aartsen, M. G. Ackermann, M. Adams, J. Aguilar, J. A. Ahlers, M. Ahrens, M. Altmann, D. Anderson, T. Arguelles, C. Arlen, T. C. Auffenberg, J. Bai, X. Barwick, S. W. Baum, V. Bay, R. Beatty, J. J. Tjus, J. Becker Becker, K. -H. BenZvi, S. Berghaus, P. Berley, D. Bernardini, E. Bernhard, A. Besson, D. Z. Binder, G. Bindig, D. Bissok, M. Blaufuss, E. Blumenthal, J. Boersma, D. J. Bohm, C. Bos, F. Bose, D. Boeser, S. Botner, O. Brayeur, L. Bretz, H. -P. Brown, A. M. Brunner, J. Buzinsky, N. Casey, J. Casier, M. Cheung, E. Chirkin, D. Christov, A. Christy, B. Clark, K. Classen, L. Clevermann, F. Coenders, S. Cowen, D. F. Silva, A. H. Cruz Daughhetee, J. Davis, J. C. Day, M. de Andre, J. P. A. M. De Clercq, C. De Ridder, S. Desiati, P. de Vries, K. D. de With, M. De Young, T. Diaz-Velez, J. C. Dunkman, M. Eagan, R. Eberhardt, B. Eichmann, B. Eisch, J. Euler, S. Evenson, P. A. Fadiran, O. Fazely, A. R. Fedynitch, A. Feintzeig, J. Felde, J. Feusels, T. Filimonov, K. Finley, C. Fischer-Wasels, T. Flis, S. Franckowiak, A. Frantzen, K. Fuchs, T. Gaisser, T. K. Gaior, R. Gallagher, J. Gerhardt, L. Gier, D. Gladstone, L. Gluesenkamp, T. Goldschmidt, A. Golup, G. Gonzalez, J. G. Goodman, J. A. Gora, D. Grant, D. Gretskov, P. Groh, J. C. Gross, A. Ha, C. Haack, C. Ismail, A. Haj Hallen, P. Hallgren, A. Halzen, F. Hanson, K. Hebecker, D. Heereman, D. Heinen, D. Helbing, K. Hellauer, R. Hellwig, D. Hickford, S. Hill, G. C. Hoffman, K. D. Hoffmann, R. Homeier, A. Hoshina, K. Huang, F. Huelsnitz, W. Hulth, P. O. Hultqvist, K. Hussain, S. Ishihara, A. Jacobi, E. Jacobsen, J. Jagielski, K. Japaridze, G. S. Jero, K. Jlelati, O. Jurkovic, M. Kaminsky, B. Kappes, A. Karg, T. Karle, A. Kauer, M. Keivani, A. Kelley, J. L. Kheirandish, A. Kiryluk, J. Klaes, J. Klein, S. R. Koehne, J. -H. Kohnen, G. Kolanoski, H. Koob, A. Koepke, L. Kopper, C. Kopper, S. Koskinen, D. J. Kowalski, M. Kriesten, A. Krings, K. Kroll, G. Kroll, M. Kunnen, J. Kurahashi, N. Kuwabara, T. Labare, M. Lanfranchi, J. L. Larsen, D. T. Larson, M. J. Lesiak-Bzdak, M. Leuermann, M. Luenemann, J. Madsen, J. Maggi, G. Maruyama, R. Mase, K. Matis, H. S. Maunu, R. McNally, F. Meagher, K. Medici, M. Meli, A. Meures, T. Miarecki, S. Middell, E. Middlemas, E. Milke, N. Miller, J. Mohrmann, L. Montaruli, T. Morse, R. Nahnhauer, R. Naumann, U. Niederhausen, H. Nowicki, S. C. Nygren, D. R. Obertacke, A. Odrowski, S. Olivas, A. Omairat, A. O'Murchadha, A. Palczewski, T. Paul, L. Penek, Oe. Pepper, J. A. de los Heros, C. Perez Pfendner, C. Pieloth, D. Pinat, E. Posselt, J. Price, P. B. Przybylski, G. T. Puetz, J. Quinnan, M. Raedel, L. Rameez, M. Rawlins, K. Redl, P. Rees, I. Reimann, R. Relich, M. Resconi, E. Rhode, W. Richman, M. Riedel, B. Robertson, S. Rodrigues, J. P. Rongen, M. Rott, C. Ruhe, T. Ruzybayev, B. Ryckbosch, D. Saba, S. M. Sander, H. -G. Sandroos, J. Santander, M. Sarkar, S. Schatto, K. Scheriau, F. Schmidt, T. Schmitz, M. Schoenen, S. Schoeneberg, S. Schoenwald, A. Schukraft, A. Schulte, L. Schulz, O. Seckel, D. Sestayo, Y. Seunarine, S. Shanidze, R. Smith, M. W. E. Soldin, D. Spiczak, G. M. Spiering, C. Stamatikos, M. Stanev, T. Stanisha, N. A. Stasik, A. Stezelberger, T. Stokstad, R. G. Stoessl, A. Strahler, E. A. Strom, R. Strotjohann, N. L. Sullivan, G. W. Taavola, H. Taboada, I. Tamburro, A. Tepe, A. Ter-Antonyan, S. Terliuk, A. Tesic, G. Tilav, S. Toale, P. A. Tobin, M. N. Tosi, D. Tselengidou, M. Unger, E. Usner, M. Vallecorsa, S. van Eijndhoven, N. Vandenbroucke, J. van Santen, J. Vehring, M. Voge, M. Vraeghe, M. Walck, C. Wallraff, M. Weaver, Ch. Wellons, M. Wendt, C. Westerhoff, S. Whelan, B. J. Whitehorn, N. Wichary, C. Wiebe, K. Wiebusch, C. H. Williams, D. R. Wissing, H. Wolf, M. Wood, T. R. Woschnagg, K. Xu, D. L. Xu, X. W. Yanez, J. P. Yodh, G. Yoshida, S. Zarzhitsky, P. Ziemann, J. Zierke, S. Zoll, M. CA IceCube Collaboration TI Determining neutrino oscillation parameters from atmospheric muon neutrino disappearance with three years of IceCube DeepCore data SO PHYSICAL REVIEW D LA English DT Article ID TRACK RECONSTRUCTION; PERFORMANCE; TELESCOPE; SYSTEM AB We present a measurement of neutrino oscillations via atmospheric muon neutrino disappearance with three years of data of the completed IceCube neutrino detector. DeepCore, a region of denser IceCube instrumentation, enables the detection and reconstruction of atmospheric muon neutrinos between 10 and 100 GeV, where a strong disappearance signal is expected. The IceCube detector volume surrounding DeepCore is used as a veto region to suppress the atmospheric muon background. Neutrino events are selected where the detected Cherenkov photons of the secondary particles minimally scatter, and the neutrino energy and arrival direction are reconstructed. Both variables are used to obtain the neutrino oscillation parameters from the data, with the best fit given by Delta m(32)(2) = 2.72(-0.20)(+0.19) x 10(-3) eV(2) and sin(2)theta(23) = 0.53(-0.12)(+0.09) (normal mass ordering assumed). The results are compatible, and comparable in precision, to those of dedicated oscillation experiments. C1 [Auffenberg, J.; Bissok, M.; Blumenthal, J.; Gier, D.; Gretskov, P.; Haack, C.; Hallen, P.; Heinen, D.; Hellwig, D.; Jagielski, K.; Koob, A.; Kriesten, A.; Krings, K.; Leuermann, M.; Paul, L.; Penek, Oe.; Puetz, J.; Raedel, L.; Reimann, R.; Rongen, M.; Schoenen, S.; Schukraft, A.; Vehring, M.; Wallraff, M.; Wichary, C.; Wiebusch, C. H.; Zierke, S.] Rhein Westfal TH Aachen, Inst Phys 3, D-52056 Aachen, Germany. [Aartsen, M. G.; Hill, G. C.; Robertson, S.; Whelan, B. J.] Univ Adelaide, Sch Chem & Phys, Adelaide, SA 5005, Australia. [Rawlins, K.] Univ Alaska Anchorage, Dept Phys & Astron, Anchorage, AK 99508 USA. [Japaridze, G. S.] Clark Atlanta Univ, CTSPS, Atlanta, GA 30314 USA. [Casey, J.; Daughhetee, J.; Taboada, I.] Georgia Inst Technol, Sch Phys, Atlanta, GA 30332 USA. [Casey, J.; Daughhetee, J.; Taboada, I.] Georgia Inst Technol, Ctr Relativist Astrophys, Atlanta, GA 30332 USA. [Fazely, A. R.; Ter-Antonyan, S.; Xu, X. W.] Southern Univ, Dept Phys, Baton Rouge, LA 70813 USA. [Bay, R.; Binder, G.; Filimonov, K.; Gerhardt, L.; Ha, C.; Klein, S. R.; Miarecki, S.; Price, P. B.; Woschnagg, K.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Binder, G.; Gerhardt, L.; Goldschmidt, A.; Ha, C.; Klein, S. R.; Matis, H. S.; Miarecki, S.; Nygren, D. R.; Przybylski, G. T.; Stezelberger, T.; Stokstad, R. G.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [de With, M.; Kolanoski, H.] Humboldt Univ, Inst Phys, D-12489 Berlin, Germany. [Tjus, J. Becker; Bos, F.; Eichmann, B.; Fedynitch, A.; Kroll, M.; Saba, S. M.; Schoeneberg, S.] Ruhr Univ Bochum, Fak Phys & Astron, D-44780 Bochum, Germany. [Boeser, S.; Franckowiak, A.; Hebecker, D.; Homeier, A.; Kowalski, M.; Schulte, L.; Stasik, A.; Strotjohann, N. L.; Usner, M.; Voge, M.] Univ Bonn, Inst Phys, D-53115 Bonn, Germany. [Hanson, K.; Heereman, D.; Meures, T.; O'Murchadha, A.; Pinat, E.] Univ Libre Bruxelles, Fac Sci, B-1050 Brussels, Belgium. [Brayeur, L.; Casier, M.; De Clercq, C.; de Vries, K. D.; Golup, G.; Kunnen, J.; Maggi, G.; Miller, J.; Strahler, E. A.; van Eijndhoven, N.] Dienst ELEM, Vrije Univ Brussel, B-1050 Brussels, Belgium. [Gaior, R.; Ishihara, A.; Kuwabara, T.; Mase, K.; Relich, M.; Yoshida, S.] Chiba Univ, Dept Phys, Chiba 2638522, Japan. [Adams, J.; Brown, A. M.; Hickford, S.] Univ Canterbury, Dept Phys & Astron, Christchurch, New Zealand. [Berley, D.; Blaufuss, E.; Cheung, E.; Christy, B.; Felde, J.; Goodman, J. A.; Hellauer, R.; Hoffman, K. D.; Huelsnitz, W.; Maunu, R.; Meagher, K.; Olivas, A.; Redl, P.; Richman, M.; Schmidt, T.; Sullivan, G. W.; Wissing, H.] Univ Maryland, Dept Phys, College Pk, MD 20742 USA. [Beatty, J. J.; Davis, J. C.; Pfendner, C.; Stamatikos, M.] Ohio State Univ, Dept Phys, Columbus, OH 43210 USA. [Beatty, J. J.; Davis, J. C.; Pfendner, C.; Stamatikos, M.] Ohio State Univ, Ctr Cosmol & Astro Particle Phys, Columbus, OH 43210 USA. [Beatty, J. J.] Ohio State Univ, Dept Astron, Columbus, OH 43210 USA. [Koskinen, D. J.; Larson, M. J.; Medici, M.; Sandroos, J.; Sarkar, S.] Univ Copenhagen, Niels Bohr Inst, DK-2100 Copenhagen, Denmark. [Clevermann, F.; Frantzen, K.; Fuchs, T.; Koehne, J. -H.; Milke, N.; Pieloth, D.; Rhode, W.; Ruhe, T.; Scheriau, F.; Schmitz, M.; Ziemann, J.] Tech Univ Dortmund, Dept Phys, D-44221 Dortmund, Germany. [Buzinsky, N.; Grant, D.; Nowicki, S. C.; Odrowski, S.; Wood, T. R.] Univ Alberta, Dept Phys, Edmonton, AB T6G 2E1, Canada. [Altmann, D.; Classen, L.; Kappes, A.; Tselengidou, M.] Univ Erlangen Nurnberg, Erlangen Ctr Astroparticle Phys, D-91058 Erlangen, Germany. [Aguilar, J. A.; Christov, A.; Montaruli, T.; Rameez, M.; Vallecorsa, S.] Univ Geneva, Dept Phys Nucl & Corpusculaire, CH-1211 Geneva, Switzerland. [De Ridder, S.; Feusels, T.; Ismail, A. Haj; Jlelati, O.; Labare, M.; Meli, A.; Ryckbosch, D.; Vraeghe, M.] Univ Ghent, Dept Phys & Astron, B-9000 Ghent, Belgium. [Barwick, S. W.; Yodh, G.] Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA. [Besson, D. Z.] Univ Kansas, Dept Phys & Astron, Lawrence, KS 66045 USA. [Gallagher, J.] Univ Wisconsin, Dept Astron, Madison, WI 53706 USA. [Ahlers, M.; Arguelles, C.; BenZvi, S.; Chirkin, D.; Day, M.; Desiati, P.; Diaz-Velez, J. C.; Eisch, J.; Fadiran, O.; Feintzeig, J.; Gladstone, L.; Halzen, F.; Hoshina, K.; Jacobsen, J.; Jero, K.; Karle, A.; Kauer, M.; Kelley, J. L.; Kheirandish, A.; Kopper, C.; Larsen, D. T.; Maruyama, R.; McNally, F.; Middlemas, E.; Morse, R.; Rees, I.; Riedel, B.; Rodrigues, J. P.; Santander, M.; Tobin, M. N.; Tosi, D.; Vandenbroucke, J.; van Santen, J.; Weaver, Ch.; Wellons, M.; Wendt, C.; Westerhoff, S.; Whitehorn, N.] Univ Wisconsin, Dept Phys, Madison, WI 53706 USA. [Ahlers, M.; Arguelles, C.; BenZvi, S.; Chirkin, D.; Day, M.; Desiati, P.; Diaz-Velez, J. C.; Eisch, J.; Fadiran, O.; Feintzeig, J.; Gladstone, L.; Halzen, F.; Hoshina, K.; Jacobsen, J.; Jero, K.; Karle, A.; Kauer, M.; Kelley, J. L.; Kheirandish, A.; Kopper, C.; Larsen, D. T.; Maruyama, R.; McNally, F.; Middlemas, E.; Morse, R.; Rees, I.; Riedel, B.; Rodrigues, J. P.; Santander, M.; Tobin, M. N.; Tosi, D.; Vandenbroucke, J.; van Santen, J.; Weaver, Ch.; Wellons, M.; Wendt, C.; Westerhoff, S.; Whitehorn, N.] Univ Wisconsin, Wisconsin IceCube Particle Astrophys Ctr, Madison, WI 53706 USA. [Baum, V.; Eberhardt, B.; Koepke, L.; Kroll, G.; Luenemann, J.; Sander, H. -G.; Schatto, K.; Wiebe, K.] Johannes Gutenberg Univ Mainz, Inst Phys, D-55099 Mainz, Germany. [De Young, T.] Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA. [Kohnen, G.] Univ Mons, B-7000 Mons, Belgium. [Bernhard, A.; Coenders, S.; Gross, A.; Jurkovic, M.; Resconi, E.; Schulz, O.; Sestayo, Y.] Tech Univ Munich, D-85748 Garching, Germany. [Evenson, P. A.; Gaisser, T. K.; Gonzalez, J. G.; Hussain, S.; Ruzybayev, B.; Seckel, D.; Stanev, T.; Tamburro, A.; Tilav, S.] Univ Delaware, Bartol Res Inst, Newark, DE 19716 USA. [Evenson, P. A.; Gaisser, T. K.; Gonzalez, J. G.; Hussain, S.; Ruzybayev, B.; Seckel, D.; Stanev, T.; Tamburro, A.; Tilav, S.] Univ Delaware, Dept Phys & Astron, Newark, DE 19716 USA. [Sarkar, S.] Univ Oxford, Dept Phys, Oxford OX1 3NP, England. [Kurahashi, N.] Drexel Univ, Dept Phys, Philadelphia, PA 19104 USA. [Bai, X.] South Dakota Sch Mines & Technol, Dept Phys, Rapid City, SD 57701 USA. [Madsen, J.; Seunarine, S.; Spiczak, G. M.] Univ Wisconsin, Dept Phys, River Falls, WI 54022 USA. [Ahrens, M.; Bohm, C.; Finley, C.; Flis, S.; Hulth, P. O.; Hultqvist, K.; Walck, C.; Wolf, M.; Zoll, M.] Stockholm Univ, Oskar Klein Ctr, SE-10691 Stockholm, Sweden. [Ahrens, M.; Bohm, C.; Finley, C.; Flis, S.; Hulth, P. O.; Hultqvist, K.; Walck, C.; Wolf, M.; Zoll, M.] Stockholm Univ, Dept Phys, SE-10691 Stockholm, Sweden. [Kiryluk, J.; Lesiak-Bzdak, M.; Niederhausen, H.] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. [Bose, D.; Rott, C.] Sungkyunkwan Univ, Dept Phys, Suwon 440746, South Korea. [Clark, K.] Univ Toronto, Dept Phys, Toronto, ON M5S 1A7, Canada. [Palczewski, T.; Pepper, J. A.; Toale, P. A.; Williams, D. R.; Xu, D. L.; Zarzhitsky, P.] Univ Alabama, Dept Phys & Astron, Tuscaloosa, AL 35487 USA. [Cowen, D. F.] Penn State Univ, Dept Astron & Astrophys, University Pk, PA 16802 USA. [Anderson, T.; Arlen, T. C.; Cowen, D. F.; de Andre, J. P. A. M.; Dunkman, M.; Eagan, R.; Groh, J. C.; Huang, F.; Keivani, A.; Lanfranchi, J. L.; Quinnan, M.; Smith, M. W. E.; Stanisha, N. A.; Tesic, G.] Penn State Univ, Dept Phys, University Pk, PA 16802 USA. [Boersma, D. J.; Botner, O.; Euler, S.; Hallgren, A.; de los Heros, C. Perez; Strom, R.; Taavola, H.; Unger, E.] Uppsala Univ, Dept Phys & Astron, S-75120 Uppsala, Sweden. [Becker, K. -H.; Bindig, D.; Fischer-Wasels, T.; Helbing, K.; Hoffmann, R.; Klaes, J.; Kopper, S.; Naumann, U.; Obertacke, A.; Omairat, A.; Posselt, J.; Soldin, D.; Tepe, A.] Univ Gesamthsch Wuppertal, Dept Phys, D-42119 Wuppertal, Germany. [Ackermann, M.; Berghaus, P.; Bernardini, E.; Bretz, H. -P.; Brunner, J.; Silva, A. H. Cruz; Gluesenkamp, T.; Gora, D.; Jacobi, E.; Kaminsky, B.; Karg, T.; Middell, E.; Mohrmann, L.; Nahnhauer, R.; Schoenwald, A.; Shanidze, R.; Spiering, C.; Stoessl, A.; Terliuk, A.; Yanez, J. P.] DESY, D-15735 Zeuthen, Germany. RP Aartsen, MG (reprint author), Univ Adelaide, Sch Chem & Phys, Adelaide, SA 5005, Australia. EM juan.pablo.yanez@desy.de RI Maruyama, Reina/A-1064-2013; Brunner, Juergen/G-3540-2015; Koskinen, David/G-3236-2014; Aguilar Sanchez, Juan Antonio/H-4467-2015; Tjus, Julia/G-8145-2012; Sarkar, Subir/G-5978-2011; Beatty, James/D-9310-2011; Wiebusch, Christopher/G-6490-2012; OI Larsen, Dag Toppe/0000-0002-9898-2174; Perez de los Heros, Carlos/0000-0002-2084-5866; Strotjohann, Nora Linn/0000-0002-4667-6730; Arguelles Delgado, Carlos/0000-0003-4186-4182; Maruyama, Reina/0000-0003-2794-512X; Schukraft, Anne/0000-0002-9112-5479; Groh, John/0000-0001-9880-3634; Brunner, Juergen/0000-0002-5052-7236; Koskinen, David/0000-0002-0514-5917; Aguilar Sanchez, Juan Antonio/0000-0003-2252-9514; Sarkar, Subir/0000-0002-3542-858X; Beatty, James/0000-0003-0481-4952; Wiebusch, Christopher/0000-0002-6418-3008; Ter-Antonyan, Samvel/0000-0002-5788-1369 FU U.S. National Science Foundation-Office of Polar Programs; U.S. National Science Foundation-Physics Division, University of Wisconsin Alumni Research Foundation; Grid Laboratory Of Wisconsin (GLOW) grid infrastructure at the University of Wisconsin-Madison; Open Science Grid (OSG) grid infrastructure; U.S. Department of Energy; National Energy Research Scientific Computing Center; Louisiana Optical Network Initiative (LONI) grid computing resources; Natural Sciences and Engineering Research Council of Canada; WestGrid and Compute/Calcul Canada; Swedish Research Council; Swedish Polar Research Secretariat; Swedish National Infrastructure for Computing (SNIC); Knut and Alice Wallenberg Foundation, Sweden; German Ministry for Education and Research (BMBF); Deutsche Forschungsgemeinschaft (DFG); Helmholtz Alliance for Astroparticle Physics (HAP); Research Department of Plasmas with Complex Interactions (Bochum), Germany; Fund for Scientific Research (FNRS-FWO); FWO Odysseus programme; Flanders Institute to encourage scientific and technological research in industry (IWT); Belgian Federal Science Policy Office (Belspo); University of Oxford, United Kingdom; Marsden Fund, New Zealand; Australian Research Council; Swiss National Science Foundation (SNSF), Switzerland; National Research Foundation of Korea (NRF); Danish National Research Foundation, Denmark (DNRF) FX We acknowledge the support from the following agencies: U.S. National Science Foundation-Office of Polar Programs, U.S. National Science Foundation-Physics Division, University of Wisconsin Alumni Research Foundation, the Grid Laboratory Of Wisconsin (GLOW) grid infrastructure at the University of Wisconsin-Madison, the Open Science Grid (OSG) grid infrastructure; U.S. Department of Energy, and National Energy Research Scientific Computing Center, the Louisiana Optical Network Initiative (LONI) grid computing resources; Natural Sciences and Engineering Research Council of Canada, WestGrid and Compute/Calcul Canada; Swedish Research Council, Swedish Polar Research Secretariat, Swedish National Infrastructure for Computing (SNIC), and Knut and Alice Wallenberg Foundation, Sweden; German Ministry for Education and Research (BMBF), Deutsche Forschungsgemeinschaft (DFG), Helmholtz Alliance for Astroparticle Physics (HAP), Research Department of Plasmas with Complex Interactions (Bochum), Germany; Fund for Scientific Research (FNRS-FWO), FWO Odysseus programme, Flanders Institute to encourage scientific and technological research in industry (IWT), Belgian Federal Science Policy Office (Belspo); University of Oxford, United Kingdom; Marsden Fund, New Zealand; Australian Research Council; Japan Society for Promotion of Science (JSPS); the Swiss National Science Foundation (SNSF), Switzerland; National Research Foundation of Korea (NRF); Danish National Research Foundation, Denmark (DNRF). NR 45 TC 17 Z9 17 U1 0 U2 13 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 EI 1550-2368 J9 PHYS REV D JI Phys. Rev. D PD APR 7 PY 2015 VL 91 IS 7 AR 072004 DI 10.1103/PhysRevD.91.072004 PG 10 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA CF0TQ UT WOS:000352257500002 ER PT J AU Dawson, S Lewis, IM Zeng, M AF Dawson, S. Lewis, I. M. Zeng, Mao TI Usefulness of effective field theory for boosted Higgs production SO PHYSICAL REVIEW D LA English DT Article ID LARGE TRANSVERSE-MOMENTUM; HADRON-HADRON COLLISIONS; TO-LEADING ORDER; BOSON PRODUCTION; COLLIDERS; PHYSICS; QCD AB The Higgs + jet channel at the LHC is sensitive to the effects of new physics both in the total rate and in the transverse momentum distribution at high p(T). We examine the production process using an effective field theory (EFT) language and discussing the possibility of determining the nature of the underlying high-scale physics from boosted Higgs production. The effects of heavy color triplet scalars and top partner fermions with TeV scale masses are considered as examples and Higgs-gluon couplings of dimension five and dimension seven are included in the EFT. As a byproduct of our study, we examine the region of validity of the EFT. Dimension-seven contributions in realistic new physics models give effects in the high p(T) tail of the Higgs signal which are so tiny that they are likely to be unobservable. C1 [Dawson, S.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. [Lewis, I. M.] SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA. [Zeng, Mao] SUNY Stony Brook, CN Yang Inst Theoret Phys, Stony Brook, NY 11794 USA. RP Dawson, S (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. FU U.S. Department of Energy [DE-SC0012704, DE-AC02-76SF00515]; National Science Foundation [PHY-1316617] FX S. D. thanks A. Ismail and I. Low for discussions about the effects of virtual scalar particles. The work of S. D. and I. L. is supported by the U.S. Department of Energy under Grants No. DE-SC0012704 and No. DE-AC02-76SF00515. The work of M. Z. is supported by National Science Foundation Grant No. PHY-1316617. NR 57 TC 12 Z9 12 U1 1 U2 4 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 EI 1550-2368 J9 PHYS REV D JI Phys. Rev. D PD APR 7 PY 2015 VL 91 IS 7 AR 074012 DI 10.1103/PhysRevD.91.074012 PG 10 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA CF0TQ UT WOS:000352257500005 ER PT J AU Linder, EV AF Linder, Eric V. TI Tailoring strong lensing cosmographic observations SO PHYSICAL REVIEW D LA English DT Article ID TIME-DELAY DISTANCES; HUBBLE CONSTANT; COSMOLOGICAL PARAMETERS; DARK ENERGY; GALAXIES; SUPERNOVAE; REDSHIFT AB Strong lensing time delay cosmography has excellent complementarity with other dark energy probes and will soon have abundant systems detected. We investigate two issues in the imaging and spectroscopic follow-up required to obtain the time delay distance. The first is optimization of spectroscopic resources. We develop a code to optimize the cosmological leverage under the constraint of constant spectroscopic time and find that sculpting the lens system redshift distribution can deliver a 40% improvement in dark energy figure of merit. The second is the role of systematics, correlated between different quantities of a given system or model errors common to all systems. We show how the levels of different systematics affect the cosmological parameter estimation and derive guidance for the fraction of double image vs quad image systems to follow as a function of differing systematics between them. C1 [Linder, Eric V.] Univ Calif Berkeley, Berkeley Ctr Cosmol Phys, Berkeley, CA 94720 USA. [Linder, Eric V.] Univ Calif Berkeley, Berkeley Lab, Berkeley, CA 94720 USA. RP Linder, EV (reprint author), Univ Calif Berkeley, Berkeley Ctr Cosmol Phys, Berkeley, CA 94720 USA. FU Department of Energy [DE-SC-0007867]; Office of Science, Office of High Energy Physics, of the U.S. Department of Energy [DE-AC02-05CH11231] FX I thank Alex Kim, Phil Marshall, Ramon Miquel, Sherry Suyu, and Tommaso Treu for helpful discussions. This work has been supported by Department of Energy Grant No. DE-SC-0007867 and the Director, Office of Science, Office of High Energy Physics, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 40 TC 4 Z9 4 U1 0 U2 0 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2470-0010 EI 2470-0029 J9 PHYS REV D JI Phys. Rev. D PD APR 7 PY 2015 VL 91 IS 8 AR 083511 DI 10.1103/PhysRevD.91.083511 PG 9 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA CF0TY UT WOS:000352258300007 ER PT J AU Kevrekidis, PG Malomed, BA Saxena, A Bishop, AR AF Kevrekidis, P. G. Malomed, Boris A. Saxena, Avadh Bishop, A. R. TI Solitons and vortices in two-dimensional discrete nonlinear Schrodinger systems with spatially modulated nonlinearity SO PHYSICAL REVIEW E LA English DT Article ID INHOMOGENEOUS DEFOCUSING NONLINEARITY; VORTEX SOLITONS; LATTICES; BREATHERS; DYNAMICS; BRIGHT; PERSISTENCE; STABILITY AB We consider a two-dimensional (2D) generalization of a recently proposed model [Gligoric et al., Phys. Rev. E 88, 032905 (2013)], which gives rise to bright discrete solitons supported by the defocusing nonlinearity whose local strength grows from the center to the periphery. We explore the 2D model starting from the anticontinuum (AC) limit of vanishing coupling. In this limit, we can construct a wide variety of solutions including not only single-site excitations, but also dipole and quadrupole ones. Additionally, two separate families of solutions are explored: the usual "extended" unstaggered bright solitons, in which all sites are excited in the AC limit, with the same sign across the lattice (they represent the most robust states supported by the lattice, their 1D counterparts being those considered as 1D bright solitons in the above-mentioned work), and the vortex cross, which is specific to the 2D setting. For all the existing states, we explore their stability (also analytically, when possible). Typical scenarios of instability development are exhibited through direct simulations. C1 [Kevrekidis, P. G.] Univ Massachusetts, Dept Math & Stat, Amherst, MA 01003 USA. [Kevrekidis, P. G.; Saxena, Avadh; Bishop, A. R.] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. [Kevrekidis, P. G.; Saxena, Avadh; Bishop, A. R.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Malomed, Boris A.] Tel Aviv Univ, Sch Elect Engn, Dept Phys Elect, Fac Engn, IL-69978 Tel Aviv, Israel. RP Kevrekidis, PG (reprint author), Univ Massachusetts, Dept Math & Stat, Amherst, MA 01003 USA. FU University of Athens; US-AFOSR [FA950-12-1-0332]; ERC [IRSES-605096]; BSF [2010239]; US Department of Energy; [NSF-DMS-1312856] FX The work of D.J.F. was partially supported by the Special Account for Research Grants of the University of Athens. P.G.K. gratefully acknowledges the support of NSF-DMS-1312856, as well as from the US-AFOSR under Grant No. FA950-12-1-0332, and the ERC under FP7, Marie Curie Actions, People, International Research Staff Exchange Scheme (Grant No. IRSES-605096). P.G.K. and B.A.M. gratefully acknowledge the support of the BSF under Grant No. 2010239. This work was supported in part by the US Department of Energy. NR 43 TC 3 Z9 3 U1 1 U2 17 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1539-3755 EI 1550-2376 J9 PHYS REV E JI Phys. Rev. E PD APR 7 PY 2015 VL 91 IS 4 AR 043201 DI 10.1103/PhysRevE.91.043201 PG 12 WC Physics, Fluids & Plasmas; Physics, Mathematical SC Physics GA CF0UH UT WOS:000352259200011 PM 25974604 ER PT J AU Benhabib, S Sacuto, A Civelli, M Paul, I Cazayous, M Gallais, Y Measson, MA Zhong, RD Schneeloch, J Gu, GD Colson, D Forget, A AF Benhabib, S. Sacuto, A. Civelli, M. Paul, I. Cazayous, M. Gallais, Y. Measson, M. -A. Zhong, R. D. Schneeloch, J. Gu, G. D. Colson, D. Forget, A. TI Collapse of the Normal-State Pseudogap at a Lifshitz Transition in the Bi2Sr2CaCu2O8+delta Cuprate Superconductor SO PHYSICAL REVIEW LETTERS LA English DT Article ID HIGH-T-C; DOPING DEPENDENCE; PHASE-DIAGRAM; TEMPERATURE-DEPENDENCE; CRITICAL-POINT; SPIN DYNAMICS; FERMI-SURFACE; TL2BA2CUO6+DELTA; SCATTERING; SYMMETRY AB We report a fine tuned doping study of strongly overdoped Bi2Sr2CaCu2O8+delta single crystals using electronic Raman scattering. Combined with theoretical calculations, we show that the doping, at which the normal-state pseudogap closes, coincides with a Lifshitz quantum phase transition where the active holelike Fermi surface becomes electronlike. This conclusion suggests that the microscopic cause of the pseudogap is sensitiveto the Fermisurface topology. Furthermore, we find that the superconducting transition temperature is unaffected by this transition, demonstrating that their origins are different on the overdoped side. C1 [Benhabib, S.; Sacuto, A.; Paul, I.; Cazayous, M.; Gallais, Y.; Measson, M. -A.] Univ Paris 07, CNRS, UMR 7162, Lab Mat & Phenomenes Quant, F-75205 Paris 13, France. [Civelli, M.] Univ Paris 11, CNRS, UMR 8502, Phys Solides Lab, F-91405 Orsay, France. [Zhong, R. D.; Schneeloch, J.; Gu, G. D.] Brookhaven Natl Lab, Matter Phys & Mat Sci, Upton, NY 11973 USA. [Colson, D.; Forget, A.] CEA Saclay, Serv Phys Etat Condense, F-91191 Gif Sur Yvette, France. RP Benhabib, S (reprint author), Univ Paris 07, CNRS, UMR 7162, Lab Mat & Phenomenes Quant, Batiment Condorcet, F-75205 Paris 13, France. EM alain.sacuto@univ-paris-diderot.fr RI Measson, Marie-aude/E-6388-2015; Gallais, Yann/E-5240-2011; Zhong, Ruidan/D-5296-2013; Sacuto, Alain/L-2620-2016 OI Measson, Marie-aude/0000-0002-6495-7376; Gallais, Yann/0000-0002-0589-1522; Zhong, Ruidan/0000-0003-1652-9454; Sacuto, Alain/0000-0002-8351-6154 NR 53 TC 10 Z9 10 U1 2 U2 39 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 7 PY 2015 VL 114 IS 14 AR 147001 DI 10.1103/PhysRevLett.114.147001 PG 5 WC Physics, Multidisciplinary SC Physics GA CF0UR UT WOS:000352260300014 PM 25910152 ER PT J AU Cao, GX Singh, DJ Zhang, XG Samolyuk, G Qiao, L Parish, C Jin, K Zhang, YW Guo, HW Tang, SW Wang, WB Yi, JY Cantoni, C Siemons, W Payzant, EA Biegalski, M Ward, TZ Mandrus, D Stocks, GM Gai, Z AF Cao, Guixin Singh, D. J. Zhang, X. -G. Samolyuk, German Qiao, Liang Parish, Chad Jin, Ke Zhang, Yanwen Guo, Hangwen Tang, Siwei Wang, Wenbin Yi, Jieyu Cantoni, Claudia Siemons, Wolter Payzant, E. Andrew Biegalski, Michael Ward, T. Z. Mandrus, David Stocks, G. M. Gai, Zheng TI Ferromagnetism and Nonmetallic Transport of Thin-Film alpha-FeSi2: A Stabilized Metastable Material SO PHYSICAL REVIEW LETTERS LA English DT Article ID TRANSITION-METAL DISILICIDES; ELECTRONIC-STRUCTURE; BAND-STRUCTURE; PSEUDOPOTENTIAL METHOD; EPITAXIAL-GROWTH; LOW-TEMPERATURE; BETA-FESI2; APPROXIMATION; DENSITY; SI(111) AB A metastable phase alpha-FeSi2 was epitaxially stabilized on a silicon substrate using pulsed laser deposition. Nonmetallic and ferromagnetic behaviors are tailored on alpha-FeSi2 (111) thin films, while the bulk material of alpha-FeSi2 is metallic and nonmagnetic. The transport property of the films renders two different conducting states with a strong crossover at 50 K, which is accompanied by the onset of a ferromagnetic transition as well as a substantial magnetoresistance. These experimental results are discussed in terms of the unusual electronic structure of alpha-FeSi2 obtained within density functional calculations and Boltzmann transport calculations with and without strain. Our finding sheds light on achieving ferromagnetic semiconductors through both their structure and doping tailoring, and provides an example of a tailored material with rich functionalities for both basic research and practical applications. C1 [Cao, Guixin; Zhang, X. -G.; Qiao, Liang; Tang, Siwei; Yi, Jieyu; Payzant, E. Andrew; Biegalski, Michael; Gai, Zheng] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Singh, D. J.; Samolyuk, German; Parish, Chad; Zhang, Yanwen; Guo, Hangwen; Wang, Wenbin; Cantoni, Claudia; Siemons, Wolter; Ward, T. Z.; Mandrus, David; Stocks, G. M.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Jin, Ke; Zhang, Yanwen; Tang, Siwei; Yi, Jieyu; Mandrus, David] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. RP Gai, Z (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. EM gaiz@ornl.gov RI Payzant, Edward/B-5449-2009; Qiao, Liang/A-8165-2012; Cao, Guixin/G-4452-2015; Gai, Zheng/B-5327-2012; Ward, Thomas/I-6636-2016; Parish, Chad/J-8381-2013; Stocks, George Malcollm/Q-1251-2016 OI Payzant, Edward/0000-0002-3447-2060; Cao, Guixin/0000-0002-9252-1158; Gai, Zheng/0000-0002-6099-4559; Ward, Thomas/0000-0002-1027-9186; Stocks, George Malcollm/0000-0002-9013-260X FU Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy; U.S. DOE, Office of Basic Energy Sciences, Materials Sciences and Engineering Division; U.S. DOE [DE-SC0002136] FX This research was conducted at the Center for Nanophase Materials Sciences, which is sponsored at Oak Ridge National Laboratory by the Scientific User Facilities Division, Office of Basic Energy Sciences (Z. G., G. C., X.-G. Z., L. Q., M. B., E. A. P.), U.S. Department of Energy. Part of this effort was supported by the U.S. DOE, Office of Basic Energy Sciences, Materials Sciences and Engineering Division (D. J. S, G. M. S., T. Z. W., G. M. S., Y. Z., C. P.), and under U.S. DOE Grant No. DE-SC0002136 (H. G., W. W.). NR 38 TC 5 Z9 5 U1 2 U2 44 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 7 PY 2015 VL 114 IS 14 AR 147202 DI 10.1103/PhysRevLett.114.147202 PG 6 WC Physics, Multidisciplinary SC Physics GA CF0UR UT WOS:000352260300017 PM 25910157 ER PT J AU Krycka, KL Borchers, JA Booth, RA Ijiri, Y Hasz, K Rhyne, JJ Majetich, SA AF Krycka, K. L. Borchers, J. A. Booth, R. A. Ijiri, Y. Hasz, K. Rhyne, J. J. Majetich, S. A. TI Comment on "Origin of Surface Canting within Fe3O4 Nanoparticles" Reply SO PHYSICAL REVIEW LETTERS LA English DT Editorial Material C1 [Krycka, K. L.; Borchers, J. A.] NIST, Ctr Neutron Res, Gaithersburg, MD 20899 USA. [Booth, R. A.; Majetich, S. A.] Carnegie Mellon Univ, Pittsburgh, PA 15213 USA. [Ijiri, Y.; Hasz, K.] Oberlin Coll, Oberlin, OH 44074 USA. [Rhyne, J. J.] US DOE, Washington, DC 20585 USA. RP Krycka, KL (reprint author), NIST, Ctr Neutron Res, Gaithersburg, MD 20899 USA. EM kathryn.krycka@nist.gov RI Majetich, Sara/B-1022-2015 OI Majetich, Sara/0000-0003-0848-9317 NR 5 TC 0 Z9 0 U1 1 U2 19 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 7 PY 2015 VL 114 IS 14 AR UNSP 149702 DI 10.1103/PhysRevLett.114.149702 PG 2 WC Physics, Multidisciplinary SC Physics GA CF0UR UT WOS:000352260300020 PM 25910168 ER PT J AU Wang, ZR Lanctot, MJ Liu, YQ Park, JK Menard, JE AF Wang, Z. R. Lanctot, M. J. Liu, Y. Q. Park, J-K. Menard, J. E. TI Three-Dimensional Drift Kinetic Response of High-beta Plasmas in the DIII-D Tokamak SO PHYSICAL REVIEW LETTERS LA English DT Article ID RESISTIVE WALL MODE; FIELD AMPLIFICATION; ROTATION AB A quantitative interpretation of the experimentally measured high-pressure plasma response to externally applied three-dimensional (3D) magnetic field perturbations, across the no-wall Troyon beta limit, is achieved. The self-consistent inclusion of the drift kinetic effects in magnetohydrodynamic (MHD) modeling [Y. Q. Liu et al., Phys. Plasmas 15, 112503 (2008)] successfully resolves an outstanding issue of the ideal MHD model, which significantly overpredicts the plasma-induced field amplification near the no-wall limit, as compared to experiments. The model leads to quantitative agreement not only for the measured field amplitude and toroidal phase but also for the measured internal 3D displacement of the plasma. The results can be important to the prediction of the reliable plasma behavior in advanced fusion devices, such as ITER [K. Ikeda, Nucl. Fusion 47, S1 (2007)]. C1 [Wang, Z. R.; Park, J-K.; Menard, J. E.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Lanctot, M. J.] Gen Atom, San Diego, CA 92186 USA. [Liu, Y. Q.] Culham Sci Ctr, Culham Ctr Fus Energy, Abingdon OX14 3DB, Oxon, England. RP Wang, ZR (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. RI Lanctot, Matthew J/O-4979-2016; OI Lanctot, Matthew J/0000-0002-7396-3372; Menard, Jonathan/0000-0003-1292-3286 FU U.S. Department of Energy, Office of Science, Office of Fusion Energy Sciences [DE-FC02-04ER54698, DE-AC02-09CH11466]; European Union [633053]; RCUK Energy Programme Grant [EP/I5010450]; Columbia University FX This material is based upon work supported by the U.S. Department of Energy, Office of Science, Office of Fusion Energy Sciences, using the DIII-D National Fusion Facility, a DOE Office of Science user facility, under Awards DE-FC02-04ER54698 and DE-AC02-09CH11466. This project also received funding from the European Union's Horizon 2020 research and innovation programme under Grant Agreement No. 633053 and from the RCUK Energy Programme Grant No. EP/I5010450. The views and opinions expressed herein do not necessarily reflect those of the European Commission. M. J. L. and Z. R. W. thank Dr. Jeremy Hanson for his help in analyzing the vacuum coil-sensor transfer functions. We thank Dr. Ted Strait for valuable comments on the manuscript. M. J. L. also acknowledges Columbia University for support while obtaining the plasma response measurements described herein. NR 38 TC 14 Z9 14 U1 0 U2 7 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 7 PY 2015 VL 114 IS 14 AR 145005 DI 10.1103/PhysRevLett.114.145005 PG 5 WC Physics, Multidisciplinary SC Physics GA CF0UR UT WOS:000352260300007 PM 25910133 ER PT J AU Stratakis, D Palmer, RB Grote, DP AF Stratakis, Diktys Palmer, Robert B. Grote, David P. TI Influence of space-charge fields on the cooling process of muon beams SO PHYSICAL REVIEW SPECIAL TOPICS-ACCELERATORS AND BEAMS LA English DT Article AB Obtaining muon beams with high density in 6D phase space is essential for realization of muon colliders, neutrino factories based on accelerated muons beams and other experiments involving muons. While several schemes to compress the beam phase space by means of muon cooling have been proposed, very little is known about the impact of particle-particle interactions in the whole design. In this paper, we examine the influence of space-charge fields on the cooling process of muon beams. We show that the cooling efficiency decreases with the degree of intensity, leading to emittance growth and particle loss for beams with large intensities. We further show that the emittance growth is only longitudinal and present a space-charge compensation solution by means of increasing the rf gradient. With the aid of numerical simulations, we obtain a quantitative relationship between the required compensation gradient and bunch charge and compare our results to earlier theoretical findings. C1 [Stratakis, Diktys; Palmer, Robert B.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Grote, David P.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Stratakis, D (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. FU U.S. Department of Energy [DE-AC02-98CH10886] FX The authors are grateful to J. S. Berg, A. Friedman, J. C. Gallardo, I. Haber, M. Palmer, and R. Ryne for their support and for many useful discussions. This work is supported by the U.S. Department of Energy, Contract No. DE-AC02-98CH10886. NR 33 TC 0 Z9 0 U1 0 U2 2 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-4402 J9 PHYS REV SPEC TOP-AC JI Phys. Rev. Spec. Top.-Accel. Beams PD APR 7 PY 2015 VL 18 IS 4 AR 044201 DI 10.1103/PhysRevSTAB.18.044201 PG 10 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA CF0VB UT WOS:000352261300002 ER PT J AU Tsutakawa, SE Yan, CL Xu, XJ Weinacht, CP Freudenthal, BD Yang, K Zhuang, ZH Washington, MT Tainer, JA Ivanov, I AF Tsutakawa, Susan E. Yan, Chunli Xu, Xiaojun Weinacht, Christopher P. Freudenthal, Bret D. Yang, Kun Zhuang, Zhihao Washington, M. Todd Tainer, John A. Ivanov, Ivaylo TI Structurally Distinct Ubiquitin- and Sumo-Modified PCNA: Implications for Their Distinct Roles in the DNA Damage Response SO STRUCTURE LA English DT Article ID CELL NUCLEAR ANTIGEN; X-RAY-SCATTERING; TRANSLESION SYNTHESIS; MOLECULAR-DYNAMICS; CRYSTAL-STRUCTURE; FORCE-FIELD; SAXS; SRS2; REPAIR; CONFORMATIONS AB Proliferating cell nuclear antigen (PCNA) is a pivotal replication protein, which also controls cellular responses to DNA damage. Posttranslational modification of PCNA by SUMO and ubiquitin modulate these responses. How the modifiers alter PCNA-dependent DNA repair and damage tolerance pathways is largely unknown. We used hybrid methods to identify atomic models of PCNA(K107)-Ub and PCNA(K164)-SUMO consistent with small-angle X-ray scattering data of these complexes in solution. We show that SUMO and ubiquitin have distinct modes of association to PCNA. Ubiquitin adopts discrete docked binding positions. By contrast, SUMO associates by simple tethering and adopts extended flexible conformations. These structural differences are the result of the opposite electrostatic potentials of SUMO and Ub. The unexpected contrast in conformational behavior of Ub-PCNA and SUMO-PCNA has implications for interactions with partner proteins, interacting surfaces accessibility, and access points for pathway regulation. C1 [Tsutakawa, Susan E.; Tainer, John A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. [Yan, Chunli; Xu, Xiaojun; Ivanov, Ivaylo] Georgia State Univ, Ctr Diagnost & Therapeut, Dept Chem, Atlanta, GA 30302 USA. [Weinacht, Christopher P.; Yang, Kun; Zhuang, Zhihao] Univ Delaware, Dept Chem & Biochem, Newark, DE 19716 USA. [Freudenthal, Bret D.; Washington, M. Todd] Univ Iowa, Coll Med, Dept Biochem, Iowa City, IA 52242 USA. [Tainer, John A.] Scripps Res Inst, Dept Mol Biol, La Jolla, CA 92037 USA. [Tainer, John A.] Skaggs Inst Chem Biol, La Jolla, CA 92037 USA. RP Ivanov, I (reprint author), Georgia State Univ, Ctr Diagnost & Therapeut, Dept Chem, POB 3965, Atlanta, GA 30302 USA. EM jatainer@lbl.gov; iivanov@gsu.edu RI Ivanov, Ivaylo/A-7613-2013 OI Ivanov, Ivaylo/0000-0002-5306-1005 FU NSF CAREER grant [MCB-1149521]; Georgia State University start-up funds; NCI [P01 CA092584, R01 CA081967]; NSF Grant [MCB-0953764, R01 GM108027]; U.S. Department of Energy Office of Science [DE-AC02-05CH11231]; Integrated Diffraction Analysis Technologies (IDAT) program (DOE/BER); DOE contract [DE-AC02-05CH11231]; NIH MINOS [R01GM105404] FX This work was supported by an NSF CAREER grant MCB-1149521 (to I. I.), Georgia State University start-up funds (to I. I.), P01 CA092584 (NCI to J.A.T.), R01 CA081967 (NCI to J.A.T.), NSF Grant MCB-0953764 (to Z.Z.), and R01 GM108027 (to M.T.W.). Computational resources were provided in part by a National Science Foundation XSEDE allocation (CHE110042) and through an allocation at National Energy Research Scientific Computing Center (NERSC) supported by the U.S. Department of Energy Office of Science (contract DE-AC02-05CH11231). SAXS data were collected at BL12.3.1 at the Advanced Light Source (ALS), supported by the Integrated Diffraction Analysis Technologies (IDAT) program (DOE/BER), by DOE contract DE-AC02-05CH11231, and by NIH MINOS (R01GM105404). NR 61 TC 11 Z9 11 U1 0 U2 11 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0969-2126 EI 1878-4186 J9 STRUCTURE JI Structure PD APR 7 PY 2015 VL 23 IS 4 BP 724 EP 733 DI 10.1016/j.str.2015.02.008 PG 10 WC Biochemistry & Molecular Biology; Biophysics; Cell Biology SC Biochemistry & Molecular Biology; Biophysics; Cell Biology GA CF4GS UT WOS:000352507400015 PM 25773143 ER PT J AU Ng, ML Shavorskiy, A Rameshan, C Mikkelsen, A Lundgren, E Preobrajenski, A Bluhm, H AF Ng, May Ling Shavorskiy, Andrey Rameshan, Christoph Mikkelsen, Anders Lundgren, Edvin Preobrajenski, Alexei Bluhm, Hendrik TI Reversible Modification of the Structural and Electronic Properties of a Boron Nitride Monolayer by CO Intercalation SO CHEMPHYSCHEM LA English DT Article DE boron nitride; CO; electronic properties; intercalation; monolayers ID EPITAXIAL GRAPHENE; ADSORPTION SITES; SINGLE-LAYER; H-BN; NANOMESH; RH(111); SURFACE; ATOMS; PHOTOEMISSION; COADSORPTION AB We demonstrate the reversible intercalation of CO between a hexagonal boron nitride (h-BN) monolayer and a Rh(111) substrate above a threshold CO pressure of 0.01 mbar at room temperature. The intercalation of CO results in the flattening of the originally corrugated h-BN nanomesh and an electronic decoupling of the BN layer from the Rh substrate. The intercalated CO molecules assume a coverage and adsorption site distribution comparable to that on the free Rh(111) surface at similar conditions. The pristine h-BN nanomesh is reinstated upon heating to above 625 K. These observations may open up opportunities for a reversible tuning of the electronic and structural properties of monolayer BN films. C1 [Ng, May Ling; Shavorskiy, Andrey; Rameshan, Christoph; Bluhm, Hendrik] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Mikkelsen, Anders; Lundgren, Edvin] Lund Univ, Div Synchrotron Radiat, S-22362 Lund, Sweden. [Preobrajenski, Alexei] Lund Univ, MAX Lab 4, S-22100 Lund, Sweden. RP Ng, ML (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. EM mlng@slac.stanford.edu; hbluhm@lbl.gov RI Rameshan, Christoph/G-3564-2015; Preobrajenski, Alexei/A-3150-2009; Lundgren, Edvin/F-5551-2010 OI Rameshan, Christoph/0000-0002-6340-4147; FU Office of Science, Office of Basic Energy Sciences, and the Division of Chemical Sciences, Geosciences, and Biosciences of the US Department of Energy at the Lawrence Berkeley National Laboratory [DE-AC02-05CH11231]; Wenner-Gren Foundations in Stockholm, Sweden; Erwin-Schrodinger scholarship from the Austrian Science Fund (FWF) [J 3208 N-19] FX The ALS and the Molecular Environmental Sciences beamline 11.0.2 are supported by the Director, Office of Science, Office of Basic Energy Sciences, and the Division of Chemical Sciences, Geosciences, and Biosciences of the US Department of Energy at the Lawrence Berkeley National Laboratory under Contract No. DE-AC02-05CH11231. M. L. Ng gratefully acknowledges the financial support from Wenner-Gren Foundations in Stockholm, Sweden. C. Rameshan is thankful for an Erwin-Schrodinger scholarship from the Austrian Science Fund (FWF) [J 3208 N-19]. We would like to thank M. K. Gilles, S. Aloni, N. Vinogradov, K. Simonov, J. Knudsen and A. Arman for their kind assistance and support. NR 33 TC 6 Z9 6 U1 3 U2 50 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1439-4235 EI 1439-7641 J9 CHEMPHYSCHEM JI ChemPhysChem PD APR 7 PY 2015 VL 16 IS 5 BP 923 EP 927 DI 10.1002/cphc.201500031 PG 5 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA CE4XH UT WOS:000351833100003 PM 25712198 ER PT J AU Braam, D Gomez, C Tezok, S de Mello, EVL Li, L Mandrus, D Kee, HY Sonier, JE AF Braam, D. Gomez, C. Tezok, S. de Mello, E. V. L. Li, L. Mandrus, D. Kee, Hae-Young Sonier, J. E. TI Magnetic properties of the helimagnet Cr1/3NbS2 observed by mu SR SO PHYSICAL REVIEW B LA English DT Article ID MNSI AB We have performed muon spin rotation and relaxation (mu SR) measurements on single crystals of the chiral helimagnet Cr1/3NbS2 at zero to low magnetic field. The transition from the paramagnetic to helical magnetically ordered phase at zero field ismarked by the onset of a coherent oscillation of the zero-field muon spin polarization below a critical temperature T-c. An enhancement of the muon spin precession frequency is observed below T similar to 50 K, where anomalous behavior has been observed in bulk transport measurements. The enhanced precession frequency indicates a low-temperature modification of the helical magnetic structure. A Landau free-energy analysis suggests that the low-temperature change in the magnetic structure is caused by a structural change. We also suggest a longer periodicity of helicity below T similar to 50 K, which can be verified by neutron-scattering experiments. C1 [Braam, D.; Gomez, C.; Tezok, S.; Sonier, J. E.] Simon Fraser Univ, Dept Phys, Burnaby, BC V5A 1S6, Canada. [de Mello, E. V. L.] Univ Fed Fluminense, Inst Fis, BR-24210340 Niteroi, RJ, Brazil. [Li, L.; Mandrus, D.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Mandrus, D.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Kee, Hae-Young] Univ Toronto, Dept Phys, Toronto, ON M5S 1A7, Canada. [Kee, Hae-Young; Sonier, J. E.] Canadian Inst Adv Res, Toronto, ON M5G 1Z8, Canada. RP Braam, D (reprint author), Simon Fraser Univ, Dept Phys, Burnaby, BC V5A 1S6, Canada. RI Li , Ling /J-3322-2016; de Mello, Evandro /C-5828-2015 OI Li , Ling /0000-0002-2866-8323; de Mello, Evandro /0000-0001-5793-0506 FU Canadian Institute for Advanced Research; Natural Sciences and Engineering Research Council of Canada; National Science Foundation [NSF-DMR-1410428] FX We thank the staff of TRIUMF's Centre for Molecular and Materials Science for technical assistance and Heungsik Kim for useful discussions. J.E.S. and H.Y.K. acknowledge support from Canadian Institute for Advanced Research and Natural Sciences and Engineering Research Council of Canada. D.G.M. and L.L. acknowledge support from the National Science Foundation (Grant No. NSF-DMR-1410428). NR 11 TC 3 Z9 3 U1 6 U2 22 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD APR 7 PY 2015 VL 91 IS 14 AR 144407 DI 10.1103/PhysRevB.91.144407 PG 4 WC Physics, Condensed Matter SC Physics GA CF0SX UT WOS:000352255600006 ER PT J AU Jungfleisch, MB Chumak, AV Kehlberger, A Lauer, V Kim, DH Onbasli, MC Ross, CA Klaui, M Hillebrands, B AF Jungfleisch, M. B. Chumak, A. V. Kehlberger, A. Lauer, V. Kim, D. H. Onbasli, M. C. Ross, C. A. Klaeui, M. Hillebrands, B. TI Thickness and power dependence of the spin-pumping effect in Y3Fe5O12/Pt heterostructures measured by the inverse spin Hall effect SO PHYSICAL REVIEW B LA English DT Article ID FERROMAGNETIC-RESONANCE; EXTRINSIC CONTRIBUTIONS; ROOM-TEMPERATURE; FILMS; SPINTRONICS AB The dependence of the spin-pumping effect on the yttrium iron garnet (Y3Fe5O12, YIG) thickness detected by the inverse spin Hall effect (ISHE) has been investigated quantitatively. Due to the spin-pumping effect driven by the magnetization precession in the ferrimagnetic insulator Y3Fe5O12 film a spin-polarized electron current is injected into the Pt layer. This spin current is transformed into electrical charge current by means of the ISHE. An increase of the ISHE voltage with increasing film thickness is observed and compared to the theoretically expected behavior. The effective damping parameter of the YIG/Pt samples is found to be enhanced with decreasing Y3Fe5O12 film thickness. The investigated samples exhibit a spin mixing conductance of g(eff)(up down arrow) = (3.87 +/- 0.21) x 10(18) m(-2) and a spin Hall angle between theta(ISHE) = 0.013 +/- 0.001 and 0.045 +/- 0.004 depending on the used spin-diffusion length. Furthermore, the influence of nonlinear effects on the generated voltage and on the Gilbert damping parameter at high excitation powers is revealed. It is shown that for small YIG film thicknesses a broadening of the linewidth due to nonlinear effects at high excitation powers is suppressed because of a lack of nonlinear multimagnon scattering channels. We have found that the variation of the spin-pumping efficiency for thick YIG samples exhibiting pronounced nonlinear effects is much smaller than the nonlinear enhancement of the damping. C1 [Jungfleisch, M. B.; Chumak, A. V.; Lauer, V.; Hillebrands, B.] Tech Univ Kaiserslautern, Fachbereich Phys, D-67663 Kaiserslautern, Germany. [Jungfleisch, M. B.; Chumak, A. V.; Lauer, V.; Hillebrands, B.] Tech Univ Kaiserslautern, Landesforschungszentrum OPTIMAS, D-67663 Kaiserslautern, Germany. [Kehlberger, A.; Klaeui, M.] Johannes Gutenberg Univ Mainz, Inst Phys, D-55099 Mainz, Germany. [Kehlberger, A.] Grad Sch Mat Sci Mainz, D-55128 Mainz, Germany. [Kim, D. H.; Onbasli, M. C.; Ross, C. A.] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA. [Kim, D. H.] Myongji Univ, Dept Mat Sci & Engn, Yongin, Gyeonggi Do, South Korea. RP Jungfleisch, MB (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM jungfleisch@anl.gov RI Klaui, Mathias/B-6972-2009; Jungfleisch, Matthias Benjamin/G-1069-2015; Chumak, Andrii/N-1395-2013; Hillebrands, Burkard/C-6242-2008 OI Klaui, Mathias/0000-0002-4848-2569; Jungfleisch, Matthias Benjamin/0000-0001-8204-3677; Hillebrands, Burkard/0000-0001-8910-0355 FU Deutsche Forschungsgemeinschaft [CH 1037/1-1, KL1811/7]; EU (IFOX) [NMP3-LA-2012 246102]; EU [InSpin FP7-ICT-2013-X 612759]; EU (MASPIC) [ERC-2007-StG 208162]; National Science Foundation; NSF MRSEC [DMR-0819762] FX We thank G. E. W. Bauer, V. I. Vasyuchka, and P. Pirro for valuable discussions. Financial support by the Deutsche Forschungsgemeinschaft within the project CH 1037/1-1 and KL1811/7 as well as by the EU (IFOX, NMP3-LA-2012 246102, InSpin FP7-ICT-2013-X 612759 and MASPIC, ERC-2007-StG 208162) is gratefully acknowledged. A. K. would like to thank the Graduate School of Excellence Materials Science in Mainz (MAINZ, GSC 266). C.A.R., M.C.O., and D.H.K. acknowledge support from the National Science Foundation. Shared experimental facilities supported by NSF MRSEC Award No. DMR-0819762 were used. NR 57 TC 23 Z9 23 U1 13 U2 75 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD APR 7 PY 2015 VL 91 IS 13 AR 134407 DI 10.1103/PhysRevB.91.134407 PG 10 WC Physics, Condensed Matter SC Physics GA CF0SV UT WOS:000352255400002 ER PT J AU Zaletel, MP Mong, RSK Karrasch, C Moore, JE Pollmann, F AF Zaletel, Michael P. Mong, Roger S. K. Karrasch, Christoph Moore, Joel E. Pollmann, Frank TI Time-evolving a matrix product state with long-ranged interactions SO PHYSICAL REVIEW B LA English DT Article ID ANTIFERROMAGNETIC HEISENBERG CHAIN; RENORMALIZATION-GROUP; ONE-DIMENSION; GROUND-STATE; SYSTEMS AB We introduce a numerical algorithm to simulate the time evolution of a matrix product state under a long-ranged Hamiltonian in moderately entangled systems. In the effectively one-dimensional representation of a system by matrix product states, long-ranged interactions are necessary to simulate not just many physical interactions but also higher-dimensional problems with short-ranged interactions. Since our method overcomes the restriction to short-ranged Hamiltonians of most existing methods, it proves particularly useful for studying the dynamics of both power-law interacting, one-dimensional systems, such as Coulombic and dipolar systems, and quasi-two-dimensional systems, such as strips or cylinders. First, we benchmark the method by verifying a long-standing theoretical prediction for the dynamical correlation functions of the Haldane-Shastry model. Second, we simulate the time evolution of an expanding cloud of particles in the two-dimensional Bose-Hubbard model, a subject of several recent experiments. C1 [Zaletel, Michael P.; Karrasch, Christoph; Moore, Joel E.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Zaletel, Michael P.] Stanford Univ, Dept Phys, Stanford, CA 94305 USA. [Mong, Roger S. K.] CALTECH, Walter Burke Inst Theoret Phys, Pasadena, CA 91125 USA. [Mong, Roger S. K.] CALTECH, Inst Quantum Informat & Matter, Pasadena, CA 91125 USA. [Karrasch, Christoph; Moore, Joel E.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Pollmann, Frank] Max Planck Inst Phys Komplexer Syst, D-01187 Dresden, Germany. RP Zaletel, MP (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. RI Pollmann, Frank/L-5378-2013; Moore, Joel/O-4959-2016; Karrasch, Christoph/S-5716-2016 OI Moore, Joel/0000-0002-4294-5761; Karrasch, Christoph/0000-0002-6475-3584 FU NSF [DMR-1206515]; Sherman Fairchild Foundation; Nanostructured Thermoelectrics program of DOE BES; Simons Foundation FX We are grateful to J. H. Bardarson, E. M. Stoudenmire, and D. Varjas for helpful conversations. The authors wish to acknowledge NSF DMR-1206515 (M.Z. and J. E. M.), the Sherman Fairchild Foundation (R.M.), the Nanostructured Thermoelectrics program of DOE BES (C.K.), and the Simons Foundation (J.E.M.). NR 40 TC 15 Z9 15 U1 0 U2 9 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD APR 7 PY 2015 VL 91 IS 16 AR 165112 DI 10.1103/PhysRevB.91.165112 PG 8 WC Physics, Condensed Matter SC Physics GA CF0TE UT WOS:000352256300004 ER PT J AU Jakovljevic, MM Isic, G Dastmalchi, B Bergmair, I Hingerl, K Gajic, R AF Jakovljevic, Milka M. Isic, Goran Dastmalchi, Babak Bergmair, Iris Hingerl, Kurt Gajic, Rados TI Polarization-dependent optical excitation of gap plasmon polaritons through rectangular hole arrays SO APPLIED PHYSICS LETTERS LA English DT Article ID WAVE-GUIDES; METAMATERIALS; FILMS; LIGHT AB We use variable-angle reflection ellipsometry to investigate the polarization-dependent optical excitation of highly confined gap plasmon polaritons in a fishnet metamaterial with rectangular holes. From the amplitude of features in the ellipsometric spectra and their variation with the angle of incidence, we find that the gap plasmon polaritons supported by the 35 nm thick silica gap layer are much more efficiently excited by light polarized along the short axis of holes. This inference is corroborated by numerical simulations of plasmonic near fields, while the simulated ellipsometric spectra are in excellent agreement with the measurements. By examining fishnet structures with decreasing hole sizes but a fixed aspect ratio, we find that the polarization dependence persists even in the absence of hole resonances suggesting that it can be explained by the quasi-static polarizability of holes. (C) 2015 AIP Publishing LLC. C1 [Jakovljevic, Milka M.; Isic, Goran; Gajic, Rados] Univ Belgrade, Inst Phys, Ctr Solid State Phys & New Mat, Belgrade 11000, Serbia. [Jakovljevic, Milka M.] Univ Belgrade, Sch Elect Engn, Belgrade 11120, Serbia. [Dastmalchi, Babak] Iowa State Univ, Ames Lab, US DOE, Ames, IA 50011 USA. [Dastmalchi, Babak] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Bergmair, Iris] PROFACTOR GmbH, Funct Surfaces & Nanostruct, A-4407 Steyr Gleink, Austria. [Hingerl, Kurt] Johannes Kepler Univ Linz, Ctr Surface & Nanoanalyt, A-4040 Linz, Austria. RP Isic, G (reprint author), Univ Belgrade, Inst Phys, Ctr Solid State Phys & New Mat, Pregrevica 118, Belgrade 11000, Serbia. EM isicg@ipb.ac.rs RI Dastmalchi, Babak/C-9050-2013 OI Dastmalchi, Babak/0000-0002-2701-3712 FU Serbian Ministry of Education, Science and Technological Development [OI171005]; EC FP7 Project NIMNIL [228637] FX This work was funded by the Serbian Ministry of Education, Science and Technological Development under Project No. OI171005 and by the EC FP7 Project NIMNIL (Grant Agreement No. 228637). NR 24 TC 1 Z9 1 U1 2 U2 22 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 6 PY 2015 VL 106 IS 14 DI 10.1063/1.4917510 PG 5 WC Physics, Applied SC Physics GA CF8OF UT WOS:000352820700041 ER PT J AU Laroche, D Huang, SH Nielsen, E Liu, CW Li, JY Lu, TM AF Laroche, D. Huang, S. -H. Nielsen, E. Liu, C. W. Li, J. -Y. Lu, T. M. TI Magneto-transport of an electron bilayer system in an undoped Si/SiGe double-quantum-well heterostructure SO APPLIED PHYSICS LETTERS LA English DT Article ID HALL STATES; GAS SYSTEMS AB We report the design, the fabrication, and the magneto-transport study of an electron bilayer system embedded in an undoped Si/SiGe double-quantum-well heterostructure. Combined Hall densities (n(Hall)) ranging from 2.6 x 10(10) cm(-2) to 2.7 x 10(11) cm(-2) were achieved, yielding a maximal combined Hall mobility (mu(Hall)) of 7.7 x 10(5) cm(2)/(V.s) at the highest density. Simultaneous electron population of both quantum wells is clearly observed through a Hall mobility drop as the Hall density is increased to nHall > 3.3 x 10(10) cm(-2), consistent with Schrodinger-Poisson simulations. The integer and fractional quantum Hall effects are observed in the device, and single-layer behavior is observed when both layers have comparable densities, either due to spontaneous interlayer coherence or to the symmetric-antisymmetric gap. (C) 2015 AIP Publishing LLC. C1 [Laroche, D.; Nielsen, E.; Lu, T. M.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Huang, S. -H.; Liu, C. W.; Li, J. -Y.] Natl Taiwan Univ, Dept Elect Engn, Taipei 10617, Taiwan. [Huang, S. -H.; Liu, C. W.; Li, J. -Y.] Natl Taiwan Univ, Grad Inst Elect Engn, Taipei 10617, Taiwan. [Huang, S. -H.; Liu, C. W.; Li, J. -Y.] Natl Nano Device Labs, Hsinchu 30077, Taiwan. RP Li, JY (reprint author), Natl Taiwan Univ, Dept Elect Engn, Taipei 10617, Taiwan. EM jiunyun@ntu.edu.tw; tlu@sandia.gov OI Liu, Chee Wee/0000-0002-6439-8754; LI, JIUN-YUN/0000-0003-4905-9954 FU Division of Materials Sciences and Engineering, Office of Basic Energy Sciences, U.S. Department of Energy (DOE); U.S. DOE's National Nuclear Security Administration [DE-AC04-94AL85000]; Ministry of Science and Technology [103-2622-E-002-031, 103-2112 -M-002-002-MY3] FX This work has been supported by the Division of Materials Sciences and Engineering, Office of Basic Energy Sciences, U.S. Department of Energy (DOE). This work was performed, in part, at the Center for Integrated Nanotechnologies, an Office of Science User Facility operated for the U.S. DOE Office of Science. Sandia National Laboratories is a multi program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. DOE's National Nuclear Security Administration under Contract No. DE-AC04-94AL85000. The work at NTU was supported by the Ministry of Science and Technology (Nos. 103-2622-E-002-031 and 103-2112 -M-002-002-MY3). NR 25 TC 0 Z9 0 U1 0 U2 4 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 6 PY 2015 VL 106 IS 14 DI 10.1063/1.4917296 PG 4 WC Physics, Applied SC Physics GA CF8OF UT WOS:000352820700050 ER PT J AU McAllister, A Aberg, D Schleife, A Kioupakis, E AF McAllister, Andrew Aberg, Daniel Schleife, Andre Kioupakis, Emmanouil TI Auger recombination in sodium-iodide scintillators from first principles SO APPLIED PHYSICS LETTERS LA English DT Article ID LOCALIZED WANNIER FUNCTIONS; NON-PROPORTIONALITY; SEMICONDUCTORS; MODEL AB Scintillator radiation detectors suffer from low energy resolution that has been attributed to nonlinear light yield response to the energy of the incident gamma rays. Auger recombination is a key non-radiative recombination channel that scales with the third power of the excitation density and may play a role in the non-proportionality problem of scintillators. In this work, we study direct and phonon-assisted Auger recombination in NaI using first-principles calculations. Our results show that phonon-assisted Auger recombination, mediated primarily by short-range phonon scattering, dominates at room temperature. We discuss our findings in light of the much larger values obtained by numerical fits to z-scan experiments. (C) 2015 AIP Publishing LLC. C1 [McAllister, Andrew] Univ Michigan, Appl Phys Program, Ann Arbor, MI 48109 USA. [Aberg, Daniel] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94550 USA. [Schleife, Andre] Univ Illinois, Dept Mat Sci & Engn, Urbana, IL 61801 USA. [Kioupakis, Emmanouil] Univ Michigan, Dept Mat Sci & Engn, Ann Arbor, MI 48109 USA. RP Kioupakis, E (reprint author), Univ Michigan, Dept Mat Sci & Engn, Ann Arbor, MI 48109 USA. EM kioup@umich.edu RI Kioupakis, Emmanouil/L-4504-2013; OI McAllister, Andrew/0000-0001-9842-4159; Kioupakis, Emmanouil/0000-0003-1880-6443 FU National Science Foundation Graduate Research Fellowship Program [DGE 1256260]; National Science Foundation CAREER award [DMR-1254314]; U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; National Nuclear Security Administration Office of Nonproliferation Research and Development [NA-22]; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX A.M. acknowledges support from the National Science Foundation Graduate Research Fellowship Program through Grant No. DGE 1256260. E.K. acknowledges support by the National Science Foundation CAREER award through Grant No. DMR-1254314. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344 with support from the National Nuclear Security Administration Office of Nonproliferation Research and Development (NA-22). This research used resources of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 31 TC 4 Z9 4 U1 2 U2 11 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 6 PY 2015 VL 106 IS 14 AR 141901 DI 10.1063/1.4914500 PG 4 WC Physics, Applied SC Physics GA CF8OF UT WOS:000352820700006 ER PT J AU Shen, X Dhar, S Pantelides, ST AF Shen, Xiao Dhar, Sarit Pantelides, Sokrates T. TI Atomic origin of high-temperature electron trapping in metal-oxide-semiconductor devices SO APPLIED PHYSICS LETTERS LA English DT Article ID THRESHOLD-VOLTAGE INSTABILITY; POWER ELECTRONICS; RELIABILITY; SIO2; DEFECTS; MOSFETS; SYSTEMS; SILICA; QUARTZ AB MOSFETs based on wide-band-gap semiconductors are suitable for operation at high temperature, at which additional atomic-scale processes that are benign at lower temperatures can get activated, resulting in device degradation. Recently, significant enhancement of electron trapping was observed under positive bias in SiC MOSFETs at temperatures higher than 150 degrees C. Here, we report first-principles calculations showing that the enhanced electron trapping is associated with thermally activated capturing of a second electron by an oxygen vacancy in SiO2 by which the vacancy transforms into a structure that comprises one Si dangling bond and a bond between a five-fold and a four-fold Si atoms. The results suggest a key role of oxygen vacancies and their structural reconfigurations in the reliability of high-temperature MOS devices. (C) 2015 AIP Publishing LLC. C1 [Shen, Xiao; Pantelides, Sokrates T.] Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. [Dhar, Sarit] Auburn Univ, Dept Phys, Auburn, AL 36849 USA. [Pantelides, Sokrates T.] Vanderbilt Univ, Dept Elect Engn & Comp Sci, Nashville, TN 37235 USA. [Pantelides, Sokrates T.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Shen, X (reprint author), Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. EM xiao.shen@vanderbilt.edu FU NSF GOALI Grant [DMR-0907385]; McMinn Endowment at Vanderbilt University; National Science Foundation [TG-DMR100022]; DOE [DE-AC02-05CH11231]; U.S. Army Research Laboratory [W911NF-07-2-0046] FX The work at VU was supported in part by NSF GOALI Grant DMR-0907385 and by the McMinn Endowment at Vanderbilt University. Computational resources are provided by the National Science Foundation through XSEDE resources under Grant Number TG-DMR100022 and by NERSC, supported by DOE under Contract No. DE-AC02-05CH11231. The work at AU was supported by the U.S. Army Research Laboratory (W911NF-07-2-0046, Program Manager: Dr. Aivars Lelis). We thank B. R. Tuttle for helpful discussion. NR 26 TC 5 Z9 5 U1 2 U2 24 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 6 PY 2015 VL 106 IS 14 DI 10.1063/1.4917528 PG 3 WC Physics, Applied SC Physics GA CF8OF UT WOS:000352820700051 ER PT J AU Vasudevan, RK Tselev, A Gianfrancesco, AG Baddorf, AP Kalinin, SV AF Vasudevan, Rama K. Tselev, Alexander Gianfrancesco, Anthony G. Baddorf, Arthur P. Kalinin, Sergei V. TI Atomic-scale electrochemistry on the surface of a manganite by scanning tunneling microscopy SO APPLIED PHYSICS LETTERS LA English DT Article ID THIN-FILMS; TRANSITION; NANOSCALE; POLARONS; PHYSICS; OXIDES AB The doped manganese oxides (manganites) have been widely studied for their colossal magnetoresistive effects, for potential applications in oxide spintronics, electroforming in resistive switching devices, and are materials of choice as cathodes in modern solid oxide fuel cells. However, little experimental knowledge of the dynamics of the surfaces of perovskite manganites at the atomic scale exists. Here, through in-situ scanning tunneling microscopy (STM), we demonstrate atomic resolution on samples of La0.625Ca0.375MnO3 grown on (001) SrTiO3 by pulsed laser deposition. Furthermore, by applying triangular DC waveforms of increasing amplitude to the STM tip, and measuring the tunneling current, we demonstrate the ability to both perform and monitor surface electrochemical processes at the atomic level, including formation of oxygen vacancies and removal and deposition of individual atomic units or clusters. Our work paves the way for better understanding of surface oxygen reactions in these systems. (C) 2015 AIP Publishing LLC. C1 [Vasudevan, Rama K.; Tselev, Alexander; Baddorf, Arthur P.; Kalinin, Sergei V.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Vasudevan, Rama K.; Tselev, Alexander; Baddorf, Arthur P.; Kalinin, Sergei V.] Oak Ridge Natl Lab, ORNL Inst Funct Imaging Mat, Oak Ridge, TN 37831 USA. [Gianfrancesco, Anthony G.; Kalinin, Sergei V.] Univ Tennessee, UT ORNL Bredesen Ctr, Knoxville, TN 37996 USA. RP Vasudevan, RK (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. EM rvv@ornl.gov RI Tselev, Alexander/L-8579-2015; Vasudevan, Rama/Q-2530-2015; Kalinin, Sergei/I-9096-2012; Baddorf, Arthur/I-1308-2016 OI Tselev, Alexander/0000-0002-0098-6696; Vasudevan, Rama/0000-0003-4692-8579; Kalinin, Sergei/0000-0001-5354-6152; Baddorf, Arthur/0000-0001-7023-2382 FU Division of Materials Sciences and Engineering, BES, DOE; Center for Nanophase Materials Sciences, a DOE Office of Science User Facility; UT/ORNL Bredesen Center for Interdisciplinary Research and Graduate Education FX This research was sponsored by the Division of Materials Sciences and Engineering, BES, DOE (R.K.V., A.T., and S.V.K.). A portion of this research was conducted at and partially supported by (A.P.B.) the Center for Nanophase Materials Sciences, which is a DOE Office of Science User Facility. A.G.G. acknowledges fellowship support from the UT/ORNL Bredesen Center for Interdisciplinary Research and Graduate Education. The authors would like to acknowledge fruitful discussions with P. Ganesh and P. Maksymovych. NR 27 TC 3 Z9 3 U1 5 U2 56 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 6 PY 2015 VL 106 IS 14 DI 10.1063/1.4917299 PG 5 WC Physics, Applied SC Physics GA CF8OF UT WOS:000352820700042 ER PT J AU Zhang, YW Krishnamoorthy, S Johnson, JM Akyol, F Allerman, A Moseley, MW Armstrong, A Hwang, J Rajan, S AF Zhang, Yuewei Krishnamoorthy, Sriram Johnson, Jared M. Akyol, Fatih Allerman, Andrew Moseley, Michael W. Armstrong, Andrew Hwang, Jinwoo Rajan, Siddharth TI Interband tunneling for hole injection in III-nitride ultraviolet emitters SO APPLIED PHYSICS LETTERS LA English DT Article ID LIGHT-EMITTING-DIODES; JUNCTIONS; GAN AB Low p-type conductivity and high contact resistance remain a critical problem in wide band gap AlGaN-based ultraviolet light emitters due to the high acceptor ionization energy. In this work, interband tunneling is demonstrated for non-equilibrium injection of holes through the use of ultrathin polarization-engineered layers that enhance tunneling probability by several orders of magnitude over a PN homojunction. Al0.3Ga0.7N interband tunnel junctions with a low resistance of 5.6 x 10(-4) Omega cm(2) were obtained and integrated on ultraviolet light emitting diodes. Tunnel injection of holes was used to realize GaN-free ultraviolet light emitters with bottom and top n-type Al0.3Ga0.7N contacts. At an emission wavelength of 327 nm, stable output power of 6 W/cm(2) at a current density of 120 A/cm(2) with a forward voltage of 5.9 V was achieved. This demonstration of efficient interband tunneling could enable device designs for higher efficiency ultraviolet emitters. (C) 2015 AIP Publishing LLC. C1 [Zhang, Yuewei; Krishnamoorthy, Sriram; Akyol, Fatih; Rajan, Siddharth] Ohio State Univ, Dept Elect & Comp Engn, Columbus, OH 43210 USA. [Johnson, Jared M.; Hwang, Jinwoo; Rajan, Siddharth] Ohio State Univ, Dept Mat Sci & Engn, Columbus, OH 43210 USA. [Allerman, Andrew; Moseley, Michael W.; Armstrong, Andrew] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Zhang, YW (reprint author), Ohio State Univ, Dept Elect & Comp Engn, Columbus, OH 43210 USA. EM zhang.3789@osu.edu; rajan@ece.osu.edu RI HWANG, JINWOO/D-1760-2013; Krishnamoorthy, Sriram/B-2258-2012; Zhang, Yuewei/P-6737-2016 OI Krishnamoorthy, Sriram/0000-0002-4682-1002; Zhang, Yuewei/0000-0002-4192-1442 FU National Science Foundation [ECCS-1408416]; United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX S.R., Y.Z., S.K., and F.A. acknowledge funding from the National Science Foundation (ECCS-1408416). Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the United States Department of Energy's National Nuclear Security Administration under Contract No. DE-AC04-94AL85000. NR 35 TC 12 Z9 12 U1 4 U2 32 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 6 PY 2015 VL 106 IS 14 AR 141103 DI 10.1063/1.4917529 PG 5 WC Physics, Applied SC Physics GA CF8OF UT WOS:000352820700003 ER PT J AU Sturzbecher-Hoehne, M Choi, TA Abergel, RJ AF Sturzbecher-Hoehne, Manuel Choi, Taylor A. Abergel, Rebecca J. TI Hydroxypyridinonate Complex Stability of Group (IV) Metals and Tetravalent f-Block Elements: The Key to the Next Generation of Chelating Agents for Radiopharmaceuticals SO INORGANIC CHEMISTRY LA English DT Article ID DECORPORATION AGENTS; IN-VIVO; TRANSURANIUM ELEMENTS; SEQUESTERING AGENTS; PROPOSED SURROGATES; ACTINIDE CHELATORS; 3,4,3-LI(1,2-HOPO); CHEMISTRY; PET; 5-LIO(ME-3,2-HOPO) AB The solution thermodynamics of the water-soluble complexes formed between 3,4,3-LI(1,2-HOPO) and Zr(IV) or Pu(IV) were investigated to establish the metal coordination properties of this octadentate chelating agent. Stability constants log beta(110) = 43.1 +/- 0.6 and 43.5 +/- 0.7 were determined for [Zr(IV)(3,4,3-LI(1,2-HOPO))] and [Pu(IV)(3,4,3-LI(1,2-HOPO))], respectively, by spectrophotometric competition titrations against Ce(IV). Such high thermodynamic stabilities not only confirm the unparalleled Pu(IV) affinity of 3,4,3-LI(1,2-HOPO) as a decorporation agent but also corroborate the great potential of hydroxypyridinonate ligands as new Zr-89-chelating platforms for immuno-PET applications. These experimental values are in excellent agreement with previous estimates and are discussed with respect to ionic radius and electronic configuration, in comparison with those of Ce(IV) and Th(IV). Furthermore, a liquid chromatography assay combined with mass spectrometric detection was developed to probe the separation of the neutral [M(IV)(3,4,3-LI(1,2-HOPO))] complex species (M = Zr, Ce, Th, and Pu), providing additional insight into the coordination differences between group IV and tetravalent f-block metals and on the role of d and f orbitals in bonding interactions. C1 [Sturzbecher-Hoehne, Manuel; Choi, Taylor A.; Abergel, Rebecca J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Abergel, RJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. EM rjabergel@lbl.gov FU U.S. Department of Energy, Office of Science Early Career Research Program and Office of Science, Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division at the Lawrence Berkeley National Laboratory [DE-AC02-05CH11231] FX We thank Prof. Kenneth Raymond, Dr. Linfeng Rao, Dr. Stefan Minasian, and Dr. Norman Edelstein for helpful discussions. This material is based on work supported by the U.S. Department of Energy, Office of Science Early Career Research Program and Office of Science, Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division at the Lawrence Berkeley National Laboratory under contract DE-AC02-05CH11231. NR 55 TC 5 Z9 5 U1 4 U2 26 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0020-1669 EI 1520-510X J9 INORG CHEM JI Inorg. Chem. PD APR 6 PY 2015 VL 54 IS 7 BP 3462 EP 3468 DI 10.1021/acs.inorgchem.5b00033 PG 7 WC Chemistry, Inorganic & Nuclear SC Chemistry GA CF4KS UT WOS:000352518600048 PM 25799124 ER PT J AU Cox, RM Armentrout, PB de Jong, WA AF Cox, Richard M. Armentrout, P. B. de Jong, Wibe A. TI Activation of CH4 by Th+ as Studied by Guided Ion Beam Mass Spectrometry and Quantum Chemistry SO INORGANIC CHEMISTRY LA English DT Article ID COLLISION-INDUCED DISSOCIATION; TRANSLATIONAL ENERGY-DEPENDENCE; 3RD-ROW TRANSITION-METAL; STATE-SPECIFIC REACTIONS; GAS-PHASE CHEMISTRY; X=0-3 BOND-ENERGIES; LIGAND COMPLEXES; METHANE ACTIVATION; LANTHANIDE CATIONS; C-H AB The reaction of atomic thorium cations with CH4 (CD4) and the collision-induced dissociation (CID) of ThCH4+ with Xe are studied using guided ion beam tandem mass spectrometry. In the methane reactions at low energies, ThCH2+ (ThCD2+) is the only product; however, the energy dependence of the cross-section is inconsistent with a barrierless exothermic reaction as previously assumed on the basis of ion cyclotron resonance mass spectrometry results. The dominant product at higher energies is ThH+ (ThD+), with ThCH3+ (ThCD3+) having a similar threshold energy. The latter product subsequently decomposes at still higher energies to ThCH+ (ThCD+). CID of ThCH4+ yields atomic Th+ as the exclusive product. The cross-sections of all product ions are modeled to provide 0 K bond dissociation energies (in eV) of D-0(Th+H) = 2.25 +/- 0.18, D-0(Th+CH) = 6.19 +/- 0.16, D-0(Th+CH2) = 4.54 +/- 0.09, D0(Th+CH3) = 2.60 +/- 0.30, and D0(Th+CH4) = 0.47 +/- 0.05. Quantum chemical calculations at several levels of theory are used to explore the potential energy surfaces for activation of methane by Th+, and the effects of spin-orbit coupling are carefully considered. When spinorbit coupling is explicitly considered, a barrier for C-H bond activation that is consistent with the threshold measured for ThCH2+ formation (0.17 +/- 0.02 eV) is found at all levels of theory, whereas this barrier is observed only at the BHLYP and CCSD(T) levels otherwise. The observation that the CID of the ThCH4+ complex produces Th+ as the only product with a threshold of 0.47 eV indicates that this species has a Th+(CH4) structure, which is also consistent with a barrier for CH bond activation. This barrier is thought to exist as a result of the mixed (F-4,D-2) electronic character of the Th+ J = (3)/(2) ground level combined with extensive spinorbit effects. C1 [Cox, Richard M.; Armentrout, P. B.] Univ Utah, Dept Chem, Salt Lake City, UT 84112 USA. [de Jong, Wibe A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Armentrout, PB (reprint author), Univ Utah, Dept Chem, Salt Lake City, UT 84112 USA. EM armentrout@chem.utah.edu RI DE JONG, WIBE/A-5443-2008; Cox, Richard /C-5001-2017 OI DE JONG, WIBE/0000-0002-7114-8315; Cox, Richard /0000-0003-1812-3431 FU Heavy Element Chemistry Program, Office of Basic Energy Sciences, U.S. Department of Energy [DE-SC0012249]; DOE Office of Science [DE-AC05-00OR22725]; Innovative and Novel Computational Impact on Theory and Experiment (INCITE) program FX This work was supported by the Heavy Element Chemistry Program, Office of Basic Energy Sciences, U.S. Department of Energy, grant no. DE-SC0012249. We thank the Center for High Performance Computing at the University of Utah for the generous allocation of computer time. This research used resources of the Oak Ridge Leadership Computing Facility, which is a DOE Office of Science User Facility supported under contract DE-AC05-00OR22725. An award of computer time was provided by the Innovative and Novel Computational Impact on Theory and Experiment (INCITE) program. Professor Michael Morse is thanked for several useful conversations regarding the estimation of spin-orbit corrections. NR 100 TC 3 Z9 3 U1 1 U2 23 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0020-1669 EI 1520-510X J9 INORG CHEM JI Inorg. Chem. PD APR 6 PY 2015 VL 54 IS 7 BP 3584 EP 3599 DI 10.1021/acs.inorgchem.5b00137 PG 16 WC Chemistry, Inorganic & Nuclear SC Chemistry GA CF4KS UT WOS:000352518600061 PM 25768128 ER PT J AU Gursoy, D Bicer, T Lanzirotti, A Newville, MG De Carlo, F AF Guersoy, Doga Bicer, Tekin Lanzirotti, Antonio Newville, Matthew G. De Carlo, Francesco TI Hyperspectral image reconstruction for x-ray fluorescence tomography SO OPTICS EXPRESS LA English DT Article ID COMPUTED-TOMOGRAPHY; ITERATIVE RECONSTRUCTION; EMISSION-TOMOGRAPHY; ALGORITHMS; GIBBS AB A penalized maximum-likelihood estimation is proposed to perform hyperspectral (spatio-spectral) image reconstruction for X-ray fluorescence tomography. The approach minimizes a Poisson-based negative log-likelihood of the observed photon counts, and uses a penalty term that has the effect of encouraging local continuity of model parameter estimates in both spatial and spectral dimensions simultaneously. The performance of the reconstruction method is demonstrated with experimental data acquired from a seed of arabidopsis thaliana collected at the 13-ID-E microprobe beamline at the Advanced Photon Source. The resulting element distribution estimates with the proposed approach show significantly better reconstruction quality than the conventional analytical inversion approaches, and allows for a high data compression factor which can reduce data acquisition times remarkably. In particular, this technique provides the capability to tomographically reconstruct full energy dispersive spectra without compromising reconstruction artifacts that impact the interpretation of results. (C) 2015 Optical Society of America C1 [Guersoy, Doga; De Carlo, Francesco] Argonne Natl Lab, Xray Sci Div, Adv Photon Source, Argonne, IL 60439 USA. [Bicer, Tekin] Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. [Lanzirotti, Antonio; Newville, Matthew G.] Univ Chicago, Ctr Adv Radiat Sources, Chicago, IL 60637 USA. RP Gursoy, D (reprint author), Argonne Natl Lab, Xray Sci Div, Adv Photon Source, 9700 S Cass Ave, Argonne, IL 60439 USA. EM dgursoy@aps.anl.gov OI Bicer, Tekin/0000-0002-8428-5159 FU DOE Office of Science by Argonne National Laboratory [DE-AC02-06CH11357]; National Science Foundation: Earth Sciences [EAR-1128799]; Department of Energy: Geosciences [DE-FG02-94ER14466] FX We thank Amanda Socha and Tracy Punshon (Dartmouth College) for sharing the arabidopsis thaliana data used in this paper. We also thank Stefan Vogt, Chris Jacobsen, Eugene Lavely, and Yi-San Lai for fruitful discussions and helpful comments during the course of the work. This research used resources of the U.S. Department of Energy (DOE) Office of Science User Facilities operated for the DOE Office of Science by Argonne National Laboratory under Contract No. DE-AC02-06CH11357. The GSECARS 13-ID-E beamline is supported by the National Science Foundation: Earth Sciences (EAR-1128799), and Department of Energy: Geosciences (DE-FG02-94ER14466). NR 34 TC 11 Z9 11 U1 1 U2 10 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1094-4087 J9 OPT EXPRESS JI Opt. Express PD APR 6 PY 2015 VL 23 IS 7 BP 9014 EP 9023 DI 10.1364/OE.23.009014 PG 10 WC Optics SC Optics GA CF1FS UT WOS:000352290000102 PM 25968737 ER PT J AU Young, C Kapusta, JI Gale, C Jeon, S Schenke, B AF Young, C. Kapusta, J. I. Gale, C. Jeon, S. Schenke, B. TI Thermally fluctuating second-order viscous hydrodynamics and heavy-ion collisions SO PHYSICAL REVIEW C LA English DT Article ID NUCLEAR COLLISIONS; THERMODYNAMICS; COLLABORATION AB The fluctuation-dissipation theorem requires the presence of thermal noise in viscous fluids. The time and length scales of heavy-ion collisions are small enough so that the thermal noise can have a measurable effect on observables. Thermal noise is included in numerical simulations of high-energy lead-lead collisions, increasing average values of the momentum eccentricity and contributing to its event-by-event C1 [Young, C.; Kapusta, J. I.] Univ Minnesota, Sch Phys & Astron, Minneapolis, MN 55455 USA. [Young, C.] Michigan State Univ, Natl Superconducting Cyclotron Lab, E Lansing, MI 48824 USA. [Gale, C.; Jeon, S.] McGill Univ, Dept Phys, Montreal, PQ H3A 2T8, Canada. [Schenke, B.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Young, C (reprint author), Univ Minnesota, Sch Phys & Astron, Minneapolis, MN 55455 USA. EM young@physics.umn.edu; kapusta@physics.umn.edu; gale@physics.mcgill.ca; jeon@physics.mcgill.ca; bschenke@quark.phy.bnl.gov FU US DOE [DE-FG02-87ER40328, DE-FG02-03ER41259]; Natural Sciences and Engineering Research Council of Canada; DOE [DE-AC02-98CH10886] FX J.K. and C.Y. are supported by the US DOE Grant No. DE-FG02-87ER40328. C.Y. was also supported in part by US DOE Grant No. DE-FG02-03ER41259. C.G. and S.J. are supported by funding from the Natural Sciences and Engineering Research Council of Canada. B.P.S. is supported under DOE Contract No. DE-AC02-98CH10886. C.Y. thanks E. Shuryak for very helpful suggestions. We are grateful for resources from the University of Minnesota Supercomputing Institute. NR 23 TC 6 Z9 6 U1 0 U2 1 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0556-2813 EI 1089-490X J9 PHYS REV C JI Phys. Rev. C PD APR 6 PY 2015 VL 91 IS 4 AR 044901 DI 10.1103/PhysRevC.91.044901 PG 8 WC Physics, Nuclear SC Physics GA CE9VA UT WOS:000352190300004 ER PT J AU Nogueira, AF Rumbles, G AF Nogueira, Ana Flavia Rumbles, Garry TI Hybrid Organic-Inorganic Solar Cells SO JOURNAL OF PHOTONICS FOR ENERGY LA English DT Article C1 [Nogueira, Ana Flavia] Univ Estadual Campinas, Inst Chem, BR-13083970 Campinas, SP, Brazil. [Rumbles, Garry] Natl Renewable Energy Lab, Chem & Nanosci Ctr, Golden, CO 80401 USA. [Rumbles, Garry] Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA. RP Nogueira, AF (reprint author), Univ Estadual Campinas, Inst Chem, POB 6154, BR-13083970 Campinas, SP, Brazil. RI Nogueira, Ana Flavia/E-7121-2012 NR 0 TC 0 Z9 0 U1 0 U2 8 PU SPIE-SOC PHOTO-OPTICAL INSTRUMENTATION ENGINEERS PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98225 USA SN 1947-7988 J9 J PHOTON ENERGY JI J. Photonics Energy PD APR 6 PY 2015 VL 5 AR 057401 PG 1 WC Materials Science, Multidisciplinary; Optics; Physics, Applied SC Materials Science; Optics; Physics GA CF8YJ UT WOS:000352847700001 ER PT J AU Riviello, G Tibbetts, KM Brif, C Long, RX Wu, RB Ho, TS Rabitz, H AF Riviello, Gregory Tibbetts, Katharine Moore Brif, Constantin Long, Ruixing Wu, Re-Bing Ho, Tak-San Rabitz, Herschel TI Searching for quantum optimal controls under severe constraints SO PHYSICAL REVIEW A LA English DT Article ID FEMTOSECOND LASER-PULSES; HIGH-HARMONIC GENERATION; EXCITED-STATE DYNAMICS; COHERENT CONTROL; POPULATION TRANSFER; CONTROL LANDSCAPES; LIQUID-PHASE; UNIMOLECULAR REACTIONS; RETINAL ISOMERIZATION; SELECTIVE EXCITATION AB The success of quantum optimal control for both experimental and theoretical objectives is connected to the topology of the corresponding control landscapes, which are free from local traps if three conditions are met: (1) the quantum system is controllable, (2) the Jacobian of the map from the control field to the evolution operator is of full rank, and (3) there are no constraints on the control field. This paper investigates how the violation of assumption (3) affects gradient searches for globally optimal control fields. The satisfaction of assumptions (1) and (2) ensures that the control landscape lacks fundamental traps, but certain control constraints can still introduce artificial traps. Proper management of these constraints is an issue of great practical importance for numerical simulations as well as optimization in the laboratory. Using optimal control simulations, we show that constraints on quantities such as the number of control variables, the control duration, and the field strength are potentially severe enough to prevent successful optimization of the objective. For each such constraint, we show that exceeding quantifiable limits can prevent gradient searches from reaching a globally optimal solution. These results demonstrate that careful choice of relevant control parameters helps to eliminate artificial traps and facilitates successful optimization. C1 [Riviello, Gregory; Tibbetts, Katharine Moore; Long, Ruixing; Ho, Tak-San; Rabitz, Herschel] Princeton Univ, Dept Chem, Princeton, NJ 08544 USA. [Tibbetts, Katharine Moore] Temple Univ, Dept Chem, Philadelphia, PA 19122 USA. [Brif, Constantin] Sandia Natl Labs, Dept Scalable & Secure Syst Res, Livermore, CA 94550 USA. [Wu, Re-Bing] Tsinghua Univ, Dept Automat, Beijing 100084, Peoples R China. [Wu, Re-Bing] TNlist, Ctr Quantum Informat Sci & Technol, Beijing 100084, Peoples R China. RP Riviello, G (reprint author), Princeton Univ, Dept Chem, Princeton, NJ 08544 USA. RI Wu, Rebing/A-3647-2013; OI Wu, Rebing/0000-0003-3545-8700; Tibbetts, Katharine/0000-0001-8853-5656 FU Department of Energy [DE-FG02-02ER15344]; Army Research Office [W911NF-13-1-0237]; NSFC [61374091, 60904034, 61134008]; Laboratory Directed Research and Development program at Sandia National Laboratories; US Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX T.-S.H. acknowledges support from the Department of Energy under Grant No. DE-FG02-02ER15344 and H.R. acknowledges support from the Army Research Office under Grant No. W911NF-13-1-0237. R.B.W. acknowledges support from NSFC under Grants No. 61374091, No. 60904034, and No. 61134008. C.B. was supported by the Laboratory Directed Research and Development program at Sandia National Laboratories. Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the US Department of Energy's National Nuclear Security Administration under Contract No. DE-AC04-94AL85000. NR 192 TC 5 Z9 5 U1 0 U2 18 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1050-2947 EI 1094-1622 J9 PHYS REV A JI Phys. Rev. A PD APR 6 PY 2015 VL 91 IS 4 AR 043401 DI 10.1103/PhysRevA.91.043401 PG 13 WC Optics; Physics, Atomic, Molecular & Chemical SC Optics; Physics GA CE9UC UT WOS:000352187900005 ER PT J AU Abazov, VM Abbott, B Acharya, BS Adams, M Adams, T Agnew, JP Alexeev, GD Alkhazov, G Alton, A Askew, A Atkins, S Augsten, K Avila, C Badaud, F Bagby, L Baldin, B Bandurin, DV Banerjee, S Barberis, E Baringer, P Bartlett, JF Bassler, U Bazterra, V Bean, A Begalli, M Bellantoni, L Beri, SB Bernardi, G Bernhard, R Bertram, I Besanon, M Beuselinck, R Bhat, PC Bhatia, S Bhatnagar, V Blazey, G Blessing, S Bloom, K Boehnlein, A Boline, D Boos, EE Borissov, G Borysova, M Brandt, A Brandt, O Brock, R Bross, A Brown, D Bu, XB Buehler, M Buescher, V Bunichev, V Burdin, S Buszello, CP Camacho-Perez, E Casey, BCK Castilla-Valdez, H Caughron, S Chakrabarti, S Chan, KM Chandra, A Chapon, E Chen, G Cho, SW Choi, S Choudhary, B Cihangir, S Claes, D Clutter, J Cooke, M Cooper, WE Corcoran, M Couderc, F Cousinou, MC Cutts, D Das, A Davies, G de Jong, SJ De la Cruz-Burelo, E Deliot, F Demina, R Denisov, D Denisov, SP Desai, S Deterre, C DeVaughan, K Diehl, HT Diesburg, M Ding, PF Dominguez, A Dubey, A Dudko, LV Duperrin, A Dutt, S Eads, M Edmunds, D Ellison, J Elvira, VD Enari, Y Evans, H Evdokimov, VN Faure, A Feng, L Ferbel, T Fiedler, F Filthaut, F Fisher, W Fisk, HE Fortner, M Fox, H Fuess, S Garbincius, PH Garcia-Bellido, A Garcia-Gonzalez, JA Gavrilov, V Geng, W Gerber, CE Gershtein, Y Ginther, G Gogota, O Golovanov, G Grannis, PD Greder, S Greenlee, H Grenier, G Gris, P Grivaz, JF Grohsjean, A Grundahl, S Grunewald, MW Guillemin, T Gutierrez, G Gutierrez, P Haley, J Han, L Harder, K Harel, A Hauptman, JM Hays, J Head, T Hebbeker, T Hedin, D Hegab, H Heinson, AP Heintz, U Hensel, C la Cruz, IHD Herner, K Hesketh, G Hildreth, MD Hirosky, R Hoang, T Hobbs, JD Hoeneisen, B Hogan, J Hohlfeld, M Holzbauer, JL Howley, I Hubacek, Z Hynek, V Iashvili, I Ilchenko, Y Illingworth, R Ito, AS Jabeen, S Jaffre, M Jayasinghe, A Jeong, MS Jesik, R Jiang, P Johns, K Johnson, E Johnson, M Jonckheere, A Jonsson, P Joshi, J Jung, AW Juste, A Kajfasz, E Karmanov, D Katsanos, I Kaur, M Kehoe, R Kermiche, S Khalatyan, N Khanov, A Kharchilava, A Kharzheev, YN Kiselevich, I Kohli, JM Kozelov, AV Kraus, J Kumar, A Kupco, A Kurca, T Kuzmin, VA Lammers, S Lebrun, P Lee, HS Lee, SW Lee, WM Lei, X Lellouch, J Li, D Li, H Li, L Li, QZ Li, X Lim, JK Lincoln, D Linnemann, J Lipaev, VV Lipton, R Liu, H Liu, Y Lobodenko, A Lokajicek, M De Sa, RL Luna-Garcia, R Lyon, AL Maciel, AKA Madar, R Magana-Villalba, R Malik, S Malyshev, VL Mansour, J Martinez-Ortega, J McCarthy, R McGivern, CL Meijer, MM Melnitchouk, A Menezes, D Mercadante, PG Merkin, M Meyer, A Meyer, J Miconi, F Mondal, NK Mulhearn, M Nagy, E Narain, M Nayyar, R Neal, HA Negret, JP Neustroev, P Nguyen, HT Nunnemann, T Orduna, J Osman, N Osta, J Pal, A Parashar, N Parihar, V Park, SK Partridge, R Parua, N Patwa, A Penning, B Perfilov, M Peters, Y Petridis, K Petrillo, G Petroff, P Pleier, MA Podstavkov, VM Popov, AV Prewitt, M Price, D Prokopenko, N Qian, J Qin, Y Quadt, A Quinn, B Ratoff, PN Razumov, I Ripp-Baudot, I Rizatdinova, F Rominsky, M Ross, A Royon, C Rubinov, P Ruchti, R Sajot, G Sanchez-Hernandez, A Sanders, MP Santos, AS Savage, G Savitskyi, M Sawyer, L Scanlon, T Schamberger, RD Scheglov, Y Schellman, H Schwanenberger, C Schwienhorst, R Sekaric, J Severini, H Shabalina, E Shary, V Shaw, S Shchukin, AA Simak, V Skubic, P Slattery, P Smirnov, D Snow, GR Snow, J Snyder, S Soldner-Rembold, S Sonnenschein, L Soustruznik, K Stark, J Stoyanova, DA Strauss, M Suter, L Svoisky, P Titov, M Tokmenin, VV Tsai, YT Tsybychev, D Tuchming, B Tully, C Uvarov, L Uvarov, S Uzunyan, S Van Kooten, R van Leeuwen, WM Varelas, N Varnes, EW Vasilyev, IA Verkheev, AY Vertogradov, LS Verzocchi, M Vesterinen, M Vilanova, D Vokac, P Wahl, HD Wang, MHLS Warchol, J Watts, G Wayne, M Weichert, J Welty-Rieger, L Williams, MRJ Wilson, GW Wobisch, M Wood, DR Wyatt, TR Xie, Y Yamada, R Yang, S Yasuda, T Yatsunenko, YA Ye, W Ye, Z Yin, H Yip, K Youn, SW Yu, JM Zennamo, J Zhao, TG Zhou, B Zhu, J Zielinski, M Zieminska, D Zivkovic, L AF Abazov, V. M. Abbott, B. Acharya, B. S. Adams, M. Adams, T. Agnew, J. P. Alexeev, G. D. Alkhazov, G. Alton, A. Askew, A. Atkins, S. Augsten, K. Avila, C. Badaud, F. Bagby, L. Baldin, B. Bandurin, D. V. Banerjee, S. Barberis, E. Baringer, P. Bartlett, J. F. Bassler, U. Bazterra, V. Bean, A. Begalli, M. Bellantoni, L. Beri, S. B. Bernardi, G. Bernhard, R. Bertram, I. Besanon, M. Beuselinck, R. Bhat, P. C. Bhatia, S. Bhatnagar, V. Blazey, G. Blessing, S. Bloom, K. Boehnlein, A. Boline, D. Boos, E. E. Borissov, G. Borysova, M. Brandt, A. Brandt, O. Brock, R. Bross, A. Brown, D. Bu, X. B. Buehler, M. Buescher, V. Bunichev, V. Burdin, S. Buszello, C. P. Camacho-Perez, E. Casey, B. C. K. Castilla-Valdez, H. Caughron, S. Chakrabarti, S. Chan, K. M. Chandra, A. Chapon, E. Chen, G. Cho, S. W. Choi, S. Choudhary, B. Cihangir, S. Claes, D. Clutter, J. Cooke, M. Cooper, W. E. Corcoran, M. Couderc, F. Cousinou, M. -C. Cutts, D. Das, A. Davies, G. de Jong, S. J. De la Cruz-Burelo, E. Deliot, F. Demina, R. Denisov, D. Denisov, S. P. Desai, S. Deterre, C. DeVaughan, K. Diehl, H. T. Diesburg, M. Ding, P. F. Dominguez, A. Dubey, A. Dudko, L. V. Duperrin, A. Dutt, S. Eads, M. Edmunds, D. Ellison, J. Elvira, V. D. Enari, Y. Evans, H. Evdokimov, V. N. Faure, A. Feng, L. Ferbel, T. Fiedler, F. Filthaut, F. Fisher, W. Fisk, H. E. Fortner, M. Fox, H. Fuess, S. Garbincius, P. H. Garcia-Bellido, A. Garcia-Gonzalez, J. A. Gavrilov, V. Geng, W. Gerber, C. E. Gershtein, Y. Ginther, G. Gogota, O. Golovanov, G. Grannis, P. D. Greder, S. Greenlee, H. Grenier, G. Gris, Ph. Grivaz, J. -F. Grohsjean, A. Grueendahl, S. Gruenewald, M. W. Guillemin, T. Gutierrez, G. Gutierrez, P. Haley, J. Han, L. Harder, K. Harel, A. Hauptman, J. M. Hays, J. Head, T. Hebbeker, T. Hedin, D. Hegab, H. Heinson, A. P. Heintz, U. Hensel, C. la Cruz, I. Heredia-De Herner, K. Hesketh, G. Hildreth, M. D. Hirosky, R. Hoang, T. Hobbs, J. D. Hoeneisen, B. Hogan, J. Hohlfeld, M. Holzbauer, J. L. Howley, I. Hubacek, Z. Hynek, V. Iashvili, I. Ilchenko, Y. Illingworth, R. Ito, A. S. Jabeen, S. Jaffre, M. Jayasinghe, A. Jeong, M. S. Jesik, R. Jiang, P. Johns, K. Johnson, E. Johnson, M. Jonckheere, A. Jonsson, P. Joshi, J. Jung, A. W. Juste, A. Kajfasz, E. Karmanov, D. Katsanos, I. Kaur, M. Kehoe, R. Kermiche, S. Khalatyan, N. Khanov, A. Kharchilava, A. Kharzheev, Y. N. Kiselevich, I. Kohli, J. M. Kozelov, A. V. Kraus, J. Kumar, A. Kupco, A. Kurca, T. Kuzmin, V. A. Lammers, S. Lebrun, P. Lee, H. S. Lee, S. W. Lee, W. M. Lei, X. Lellouch, J. Li, D. Li, H. Li, L. Li, Q. Z. Li, X. Lim, J. K. Lincoln, D. Linnemann, J. Lipaev, V. V. Lipton, R. Liu, H. Liu, Y. Lobodenko, A. Lokajicek, M. De Sa, R. Lopes Luna-Garcia, R. Lyon, A. L. Maciel, A. K. A. Madar, R. Magana-Villalba, R. Malik, S. Malyshev, V. L. Mansour, J. Martinez-Ortega, J. McCarthy, R. McGivern, C. L. Meijer, M. M. Melnitchouk, A. Menezes, D. Mercadante, P. G. Merkin, M. Meyer, A. Meyer, J. Miconi, F. Mondal, N. K. Mulhearn, M. Nagy, E. Narain, M. Nayyar, R. Neal, H. A. Negret, J. P. Neustroev, P. Nguyen, H. T. Nunnemann, T. Orduna, J. Osman, N. Osta, J. Pal, A. Parashar, N. Parihar, V. Park, S. K. Partridge, R. Parua, N. Patwa, A. Penning, B. Perfilov, M. Peters, Y. Petridis, K. Petrillo, G. Petroff, P. Pleier, M. -A. Podstavkov, V. M. Popov, A. V. Prewitt, M. Price, D. Prokopenko, N. Qian, J. Qin, Y. Quadt, A. Quinn, B. Ratoff, P. N. Razumov, I. Ripp-Baudot, I. Rizatdinova, F. Rominsky, M. Ross, A. Royon, C. Rubinov, P. Ruchti, R. Sajot, G. Sanchez-Hernandez, A. Sanders, M. P. Santos, A. S. Savage, G. Savitskyi, M. Sawyer, L. Scanlon, T. Schamberger, R. D. Scheglov, Y. Schellman, H. Schwanenberger, C. Schwienhorst, R. Sekaric, J. Severini, H. Shabalina, E. Shary, V. Shaw, S. Shchukin, A. A. Simak, V. Skubic, P. Slattery, P. Smirnov, D. Snow, G. R. Snow, J. Snyder, S. Soeldner-Rembold, S. Sonnenschein, L. Soustruznik, K. Stark, J. Stoyanova, D. A. Strauss, M. Suter, L. Svoisky, P. Titov, M. Tokmenin, V. V. Tsai, Y. -T. Tsybychev, D. Tuchming, B. Tully, C. Uvarov, L. Uvarov, S. Uzunyan, S. Van Kooten, R. van Leeuwen, W. M. Varelas, N. Varnes, E. W. Vasilyev, I. A. Verkheev, A. Y. Vertogradov, L. S. Verzocchi, M. Vesterinen, M. Vilanova, D. Vokac, P. Wahl, H. D. Wang, M. H. L. S. Warchol, J. Watts, G. Wayne, M. Weichert, J. Welty-Rieger, L. Williams, M. R. J. Wilson, G. W. Wobisch, M. Wood, D. R. Wyatt, T. R. Xie, Y. Yamada, R. Yang, S. Yasuda, T. Yatsunenko, Y. A. Ye, W. Ye, Z. Yin, H. Yip, K. Youn, S. W. Yu, J. M. Zennamo, J. Zhao, T. G. Zhou, B. Zhu, J. Zielinski, M. Zieminska, D. Zivkovic, L. CA The DO Collaboration TI Measurement of the phi(eta)* distribution of muon pairs with masses between 30 and 500 GeV in 10.4 fb(-1) of p(p)over-bar collisions SO PHYSICAL REVIEW D LA English DT Article ID TRANSVERSE-MOMENTUM DISTRIBUTION; HADRON COLLIDERS; LEPTON PAIRS; DETECTOR; BOSON; PREDICTIONS; ASTERISK AB We present a measurement of the distribution of the variable phi(eta)* for muon pairs with masses between 30 and 500 GeV, using the complete run II data set collected by the D0 detector at the Fermilab Tevatron proton-antiproton collider. This corresponds to an integrated luminosity of 10.4 fb(-1) at root s = 1.96 TeV. The data are corrected for detector effects and presented in bins of dimuon rapidity and mass. The variable phi(eta)* probes the same physical effects as the Z/gamma* boson transverse momentum, but is less susceptible to the effects of experimental resolution and efficiency. These are the first measurements at any collider of the phi(eta)* distributions for dilepton masses away from the Z --> l(+)l(-) boson mass peak. The data are compared to QCD predictions based on the resummation of multiple soft gluons. C1 [Hensel, C.; Maciel, A. K. A.; Santos, A. S.] LAFEX, Ctr Brasileiro Pesquisas Fis, Rio De Janeiro, Brazil. [Begalli, M.] Univ Estado Rio de Janeiro, BR-20550011 Rio De Janeiro, Brazil. [Mercadante, P. G.] Uni Fed ABC, Santo Andre, Brazil. [Han, L.; Jiang, P.; Liu, Y.; Yang, S.] Univ Sci & Technol China, Hefei 230026, Peoples R China. [Avila, C.; Negret, J. P.] Univ Los Andes, Bogota, Colombia. [Soustruznik, K.] Charles Univ Prague, Fac Math & Phys, Ctr Particle Phys, Prague, Czech Republic. [Augsten, K.; Hubacek, Z.; Hynek, V.; Simak, V.; Vokac, P.] Czech Tech Univ, CR-16635 Prague, Czech Republic. [Kupco, A.; Lokajicek, M.] Acad Sci Czech Republic, Inst Phys, Prague, Czech Republic. [Hoeneisen, B.] Univ San Francisco Quito, Quito, Ecuador. 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D.; McCarthy, R.; Schamberger, R. D.; Tsybychev, D.; Ye, W.] SUNY Stony Brook, Stony Brook, NY 11794 USA. [Patwa, A.; Pleier, M. -A.; Snyder, S.; Yip, K.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Snow, J.] Langston Univ, Oklahoma City, OK 73050 USA. [Abbott, B.; Gutierrez, P.; Jayasinghe, A.; Severini, H.; Skubic, P.; Strauss, M.; Svoisky, P.] Univ Oklahoma, Norman, OK 73019 USA. [Haley, J.; Hegab, H.; Khanov, A.; Rizatdinova, F.] Oklahoma State Univ, Stillwater, OK 74078 USA. [Cutts, D.; Heintz, U.; Narain, M.; Parihar, V.; Partridge, R.] Brown Univ, Providence, RI 02912 USA. [Brandt, A.; Howley, I.; Pal, A.] Univ Texas Arlington, Arlington, TX 76019 USA. [Das, A.; Ilchenko, Y.; Kehoe, R.; Liu, H.] So Methodist Univ, Dallas, TX 75275 USA. [Chandra, A.; Corcoran, M.; Hogan, J.; Orduna, J.; Prewitt, M.] Rice Univ, Houston, TX 77005 USA. [Bandurin, D. V.; Hirosky, R.; Li, H.; Mulhearn, M.; Nguyen, H. T.] Univ Virginia, Charlottesville, VA 22904 USA. [Watts, G.] Univ Washington, Seattle, WA 98195 USA. RP Abazov, VM (reprint author), Joint Nucl Res Inst, Theoret Phys Lab, Dubna 141980, Russia. RI Sharyy, Viatcheslav/F-9057-2014; Dudko, Lev/D-7127-2012; Merkin, Mikhail/D-6809-2012; Gutierrez, Phillip/C-1161-2011; Li, Liang/O-1107-2015 OI Sharyy, Viatcheslav/0000-0002-7161-2616; Dudko, Lev/0000-0002-4462-3192; Li, Liang/0000-0001-6411-6107 FU Department of Energy and National Science Foundation (United States of America); Alternative Energies and Atomic Energy Commission (France); Ministry of Education and Science of the Russian Federation (Russia); National Research Center "Kurchatov Institute" of the Russian Federation (Russia); Russian Foundation for Basic Research (Russia); National Council for the Development of Science and Technology (Brazil); Department of Atomic Energy (India); Administrative Department of Science, Technology and Innovation (Colombia); National Council of Science and Technology (Mexico); National Research Foundation of Korea (Korea); Foundation for Fundamental Research on Matter (The Netherlands); Science and Technology Facilities Council (United Kingdom); Royal Society (United Kingdom); Ministry of Education, Youth and Sports (Czech Republic); Bundesministerium fur Bildung und Forschung (Federal Ministry of Education and Research); Deutsche Forschungsgemeinschaft (German Research Foundation) (Germany); Science Foundation Ireland (Ireland); Swedish Research Council (Sweden); China Academy of Sciences (China); Ministry of Education and Science of Ukraine (Ukraine); National Center for Scientific Research/National Institute of Nuclear and Particle Physics (France); Carlos Chagas Filho Foundation for the Support of Research in the State of Rio de Janeiro (Brazil); Department of Science and Technology (India); National Natural Science Foundation of China (China) FX We thank the authors of Refs. [10] and [8], in particular Marco Guzzi and Lee Tomlinson, respectively, for their help in evaluating predictions to be compared with the new off-peak measurements. We thank the staff at Fermilab and collaborating institutions, and acknowledge support from the Department of Energy and National Science Foundation (United States of America); Alternative Energies and Atomic Energy Commission and National Center for Scientific Research/National Institute of Nuclear and Particle Physics (France); Ministry of Education and Science of the Russian Federation, National Research Center "Kurchatov Institute" of the Russian Federation, and Russian Foundation for Basic Research (Russia); National Council for the Development of Science and Technology and Carlos Chagas Filho Foundation for the Support of Research in the State of Rio de Janeiro (Brazil); Department of Atomic Energy and Department of Science and Technology (India); Administrative Department of Science, Technology and Innovation (Colombia); National Council of Science and Technology (Mexico); National Research Foundation of Korea (Korea); Foundation for Fundamental Research on Matter (The Netherlands); Science and Technology Facilities Council and The Royal Society (United Kingdom); Ministry of Education, Youth and Sports (Czech Republic); Bundesministerium fur Bildung und Forschung (Federal Ministry of Education and Research) and Deutsche Forschungsgemeinschaft (German Research Foundation) (Germany); Science Foundation Ireland (Ireland); Swedish Research Council (Sweden); China Academy of Sciences and National Natural Science Foundation of China (China); and Ministry of Education and Science of Ukraine (Ukraine). NR 24 TC 3 Z9 3 U1 1 U2 5 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 EI 1550-2368 J9 PHYS REV D JI Phys. Rev. D PD APR 6 PY 2015 VL 91 IS 7 AR 072002 DI 10.1103/PhysRevD.91.072002 PG 13 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA CE9VH UT WOS:000352191000002 ER PT J AU Agashe, K Chen, CY Davoudiasl, H Kim, D AF Agashe, Kaustubh Chen, Chien-Yi Davoudiasl, Hooman Kim, Doojin TI Photon cascade decay of the warped graviton at LHC14 and a 100 TeV hadron collider SO PHYSICAL REVIEW D LA English DT Article ID RANDALL-SUNDRUM MODEL; STANDARD MODEL; GAUGE BOSONS; BULK FIELDS; PHENOMENOLOGY; HIERARCHY; GEOMETRY; MODULUS; MIXINGS; SEARCH AB In warped 5D models of hierarchy and flavor, the first Kaluza-Klein (KK) state of the graviton G(1) is heavy enough to decay into a photon and its first KK mode gamma(1) on-shell: G(1) -> gamma(1)gamma. The volume-suppression of the rate for this process [relative to 2-body decay into heavy Standard Model (SM) final states (W/Z/t/H)] may be partially compensated by the simplicity of the photon final state. We consider gamma(1) -> W+W-, with a typical O(1) branching fraction, and focus on the semileptonic final state W(-> jj)W(-> l,nu) with l = e, mu. The SM background originates from 2 -> 3 parton processes and is relatively suppressed compared to those for 2-body decays of G(1). Moreover, to further reduce the background, we can impose an invariant mass window cut for gamma(1) (in addition to that for G(1)) in this new channel. We emphasize that this "photon cascade" decay probes a different combination of (bulk and brane) interactions of the KK states than the decays into two heavy SM states. Thus, in combination with other channels, the cascade decay could be used to extract the individual underlying geometric parameters. The 3 sigma reach for G(1) in our channel is up to 1.5 TeV at the high luminosity (14 TeV) LHC, and can be extended to about 4 TeV, at 5 sigma, at a future 100 TeV hadron collider. Along the way, we point out the novel feature that the invariant mass distribution of KK graviton decay products becomes skewed from the Breit-Wigner form, due to the KK graviton coupling growing with energy. C1 [Agashe, Kaustubh] Univ Maryland, Maryland Ctr Fundamental Phys, College Pk, MD 20742 USA. [Chen, Chien-Yi; Davoudiasl, Hooman] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. [Kim, Doojin] Univ Florida, Dept Phys, Gainesville, FL 32611 USA. RP Agashe, K (reprint author), Univ Maryland, Maryland Ctr Fundamental Phys, College Pk, MD 20742 USA. FU NSF [PHY-1315155, PHY-0652363]; Maryland Center for Fundamental Physics; U.S. DOE Grant [DE-AC02-98CH10886]; LHC Theory Initiative postdoctoral fellowship (NSF) [PHY-0969510] FX We thank Sally Dawson, Andrew Larkoski, Ian Lewis, Konstantin Matchev, Myeonghun Park, Brock Tweedie, and Cen Zhang for useful discussions. D. K. also thanks Asia Pacific Center for Theoretical Physics in Pohang, South Korea for hospitality during the writing of part of this paper. K. A. is supported in part by NSF Grant No. PHY-1315155 and the Maryland Center for Fundamental Physics. The work of C.- Y. C. and H. D. is supported in part by the U.S. DOE Grant No. DE-AC02-98CH10886. D. K. was supported in part by NSF Grant No. PHY-0652363, and also acknowledges the support from the LHC Theory Initiative postdoctoral fellowship (NSF Grant No. PHY-0969510). We thank the authors of Ref. [45] for communication about the correct form of G1 gamma 1 gamma coupling in their paper. NR 59 TC 0 Z9 0 U1 0 U2 0 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 EI 1550-2368 J9 PHYS REV D JI Phys. Rev. D PD APR 6 PY 2015 VL 91 IS 7 AR 076002 DI 10.1103/PhysRevD.91.076002 PG 12 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA CE9VH UT WOS:000352191000014 ER PT J AU Blum, T Boyle, PA Christ, NH Frison, J Garron, N Janowski, T Jung, C Kelly, C Lehner, C Lytle, A Mawhinney, RD Sachrajda, CT Soni, A Yin, H Zhang, D AF Blum, T. Boyle, P. A. Christ, N. H. Frison, J. Garron, N. Janowski, T. Jung, C. Kelly, C. Lehner, C. Lytle, A. Mawhinney, R. D. Sachrajda, C. T. Soni, A. Yin, H. Zhang, D. CA RBC Collaboration UKQCD Collaboration TI K -> pi pi Delta I=3/2 decay amplitude in the continuum limit SO PHYSICAL REVIEW D LA English DT Article ID TO-LEADING ORDER; NONPERTURBATIVE RENORMALIZATION; FINITE-TEMPERATURE; MATRIX-ELEMENTS; LATTICE QCD; OPERATORS; RULE; EPSILON'/EPSILON; LOGARITHMS AB We present new results for the amplitude A(2) for a kaon to decay into two pions with isospin I = 2: ReA(2) = 1.50(4)(stat)(14)(syst) x 10(-8) GeV; ImA(2) = -6.99(20)(stat)(84)(syst) x 10(-13) GeV. These results were obtained from two ensembles generated at physical quark masses (in the isospin limit) with inverse lattice spacings a(-1) = 1.728(4) GeV and 2.358(7) GeV. We are therefore able to perform a continuum extrapolation and hence largely to remove the dominant systematic uncertainty from our earlier results [1,2], that due to lattice artifacts. The only previous lattice computation of K --> pi pi decays at physical kinematics was performed using an ensemble at a single, rather coarse, value of the lattice spacing [a(-1) similar or equal to 1.37(1) GeV]. We confirm the observation reported in [3] that there is a significant cancellation between the two dominant contributions to ReA(2) which we suggest is an important ingredient in understanding the Delta I = 1/2 rule, ReA(0)/ReA(2) similar or equal to 22.5, where the subscript denotes the total isospin of the two-pion final state. Our result for A(2) implies that the electroweak penguin contribution to epsilon'/epsilon is Re(epsilon'/epsilon)(EWP) = -(6.6 +/- 1.0) x 10(-4). C1 [Blum, T.] Univ Connecticut, Dept Phys, Storrs, CT 06269 USA. [Blum, T.; Kelly, C.] Brookhaven Natl Lab, RIKEN BNL Res Ctr, Upton, NY 11973 USA. [Boyle, P. A.; Frison, J.] Univ Edinburgh, Sch Phys, SUPA, Edinburgh EH9 3JZ, Midlothian, Scotland. [Christ, N. H.; Mawhinney, R. D.; Yin, H.; Zhang, D.] Columbia Univ, Dept Phys, New York, NY 10027 USA. [Garron, N.] Univ Cambridge, DAMTP, Cambridge CB3 0WA, England. [Garron, N.] Univ Plymouth, Sch Comp & Math, Plymouth PL4 8AA, Devon, England. [Janowski, T.; Sachrajda, C. T.] Univ Southampton, Sch Phys & Astron, Southampton SO17 1BJ, Hants, England. [Jung, C.; Lehner, C.; Soni, A.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Lytle, A.] Univ Glasgow, Sch Phys & Astron, SUPA, Glasgow G12 8QQ, Lanark, Scotland. RP Blum, T (reprint author), Univ Connecticut, Dept Phys, Storrs, CT 06269 USA. FU STFC; BIS National E-infrastructure Capital Grant [ST/K000411/1]; STFC Capital Grant [ST/H008845/1]; STFC DiRAC Operations Grant [ST/K005804/1, ST/K005790/1]; U.S. DOE SciDAC program; U.S. Department of Energy [DE-FG02-92ER41989]; U.S. DOE Grant [DE-SC0011941]; Leverhulme Research Grant [RPG-2014-118]; European Union (ITN STRONGnet) [238353]; U.S. DOE Contract (BNL) [DE-AC02-98CH108]; UK STFC Grant [ST/G000557/1, ST/L000296/1]; RIKEN foreign postdoctoral research (FPR) grant FX The generation of the 483 x 96 and 643 x 128 Mobius DWF + Iwasaki ensembles used to calculate A2 was performed using the IBM Blue Gene/Q (BG/Q) Mira machine at the Argonne Leadership Class Facility (ALCF) provided under the Incite Program of the U.S. DOE, on the STFC funded DiRAC BG/Q system in the Advanced Computing Facility at the University of Edinburgh, and on the BG/Q machines at Brookhaven National Laboratory (BNL). The DiRAC equipment was funded by BIS National E-infrastructure Capital Grant No. ST/K000411/1, STFC Capital Grant No. ST/H008845/1, and STFC DiRAC Operations Grants No. ST/K005804/1 and No. ST/K005790/1. DiRAC is part of the National E-Infrastructure. Most of the measurements were also performed on the DiRAC and Mira machines, with the remainder performed using the Brookhaven and the RIKEN-BNL Research Center BG/Q computers at BNL. The software used includes the CPS QCD code (http://qcdoc.phys.columbia.edu/cps.html), supported in part by the U.S. DOE SciDAC program, and the BAGEL (http://www2.ph.ed.ac.uk/similar to paboyle/bagel/Bagel.html) assembler kernel generator for high-performance optimized kernels and fermion solvers [47]. The gauge fixing for the 48I ensemble was performed using the CUTH cluster at Columbia University using the "GLU" (Gauge Link Utility) codebase (https://github.com/RJhudspith/GLU). T. B. is supported in part by the U.S. Department of Energy Grant No. DE-FG02-92ER41989; N. H. C., R. D. M., D. Z. and H. Y. by U.S. DOE Grant No. DE-SC0011941; N. G. by Leverhulme Research Grant No. RPG-2014-118 and by the European Union under Grant No. 238353 (ITN STRONGnet); C. J., C. L. and A. S. by U.S. DOE Contract No. DE-AC02-98CH108 (BNL) and T. J. and C. T. S. by UK STFC Grants No. ST/G000557/1 and No. ST/L000296/1. C. K. is supported by a RIKEN foreign postdoctoral research (FPR) grant. NR 47 TC 25 Z9 25 U1 1 U2 3 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 EI 1550-2368 J9 PHYS REV D JI Phys. Rev. D PD APR 6 PY 2015 VL 91 IS 7 AR 074502 DI 10.1103/PhysRevD.91.074502 PG 23 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA CE9VH UT WOS:000352191000010 ER PT J AU Garmash, A Bondar, A Kuzmin, A Abdesselam, A Adachi, I Aihara, H Al Said, S Asner, DM Aulchenko, V Aushev, T Ayad, R Bakich, AM Bala, A Bhardwaj, V Bobrov, A Bonvicini, G Bozek, A Bracko, M Browder, TE Cervenkov, D Chekelian, V Chen, A Cheon, BG Chilikin, K Chistov, R Cho, K Chobanova, V Choi, Y Cinabro, D Dalseno, J Dolezal, Z Drutskoy, A Dutta, D Eidelman, S Epifanov, D Farhat, H Fast, JE Ferber, T Frey, A Frost, O Gaur, V Ganguly, S Gillard, R Glattauer, R Goh, YM Golob, B Haba, J Hara, T Hayasaka, K Hayashii, H He, XH Hoshi, Y Hou, WS Hsiung, YB Hyun, HJ Iijima, T Ishikawa, A Itoh, R Iwasaki, Y Iwashita, T Jaegle, I Julius, T Kang, JH Kato, E Katrenko, P Kawai, H Kawasaki, T Kichimi, H Kiesling, C Kim, DY Kim, JB Kim, JH Kim, KT Kim, MJ Kim, YJ Kinoshita, K Klucar, J Ko, BR Kodys, P Korpar, S Krizan, P Krokovny, P Kuhr, T Kwon, YJ Lee, SH Li, Y Gioi, LL Libby, J Liu, C Liu, ZQ Liventsev, D Lukin, P Matvienko, D Miyabayashi, K Miyata, H Mizuk, R Mohanty, GB Moll, A Mussa, R Nakano, E Nakao, M Natkaniec, Z Nayak, M Nedelkovska, E Nisar, NK Nishida, S Nitoh, O Okuno, S Olsen, SL Ostrowicz, W Pakhlov, P Park, H Park, HK Pedlar, TK Pestotnik, R Petric, M Piilonen, LE Ribezl, E Ritter, M Rohrken, M Rostomyan, A Ryu, S Saito, T Sakai, Y Sandilya, S Santel, D Sanuki, T Sato, Y Schneider, O Schnell, G Schwartz, AJ Semmler, D Senyo, K Sevior, ME Shapkin, M Shebalin, V Shen, CP Shibata, TA Shiu, JG Shwartz, B Simon, F Sohn, YS Sokolov, A Solovieva, E Stanic, S Staric, M Steder, M Sumiyoshi, T Tamponi, U Tanida, K Tatishvili, G Teramoto, Y Trabelsi, K Uchida, M Unno, Y Uno, S Urquijo, P Usov, Y Van Hulse, C Vanhoefer, P Varner, G Vinokurova, A Vorobyev, V Wagner, MN Wang, CH Wang, P Wang, XL Watanabe, M Watanabe, Y Williams, KM Won, E Yamamoto, H Yamashita, Y Yashchenko, S Yook, Y Yuan, CZ Zhang, ZP Zhilich, V Zupanc, A AF Garmash, A. Bondar, A. Kuzmin, A. Abdesselam, A. Adachi, I. Aihara, H. Al Said, S. Asner, D. M. Aulchenko, V. Aushev, T. Ayad, R. Bakich, A. M. Bala, A. Bhardwaj, V. Bobrov, A. Bonvicini, G. Bozek, A. Bracko, M. Browder, T. E. Cervenkov, D. Chekelian, V. Chen, A. Cheon, B. G. Chilikin, K. Chistov, R. Cho, K. Chobanova, V. Choi, Y. Cinabro, D. Dalseno, J. Dolezal, Z. Drutskoy, A. Dutta, D. Eidelman, S. Epifanov, D. Farhat, H. Fast, J. E. Ferber, T. Frey, A. Frost, O. Gaur, V. Ganguly, S. Gillard, R. Glattauer, R. Goh, Y. M. Golob, B. Haba, J. Hara, T. Hayasaka, K. Hayashii, H. He, X. H. Hoshi, Y. Hou, W. -S. Hsiung, Y. B. Hyun, H. J. Iijima, T. Ishikawa, A. Itoh, R. Iwasaki, Y. Iwashita, T. Jaegle, I. Julius, T. Kang, J. H. Kato, E. Katrenko, P. Kawai, H. Kawasaki, T. Kichimi, H. Kiesling, C. Kim, D. Y. Kim, J. B. Kim, J. H. Kim, K. T. Kim, M. J. Kim, Y. J. Kinoshita, K. Klucar, J. Ko, B. R. Kodys, P. Korpar, S. Krizan, P. Krokovny, P. Kuhr, T. Kwon, Y. -J. Lee, S. -H. Li, Y. Gioi, L. Li Libby, J. Liu, C. Liu, Z. Q. Liventsev, D. Lukin, P. Matvienko, D. Miyabayashi, K. Miyata, H. Mizuk, R. Mohanty, G. B. Moll, A. Mussa, R. Nakano, E. Nakao, M. Natkaniec, Z. Nayak, M. Nedelkovska, E. Nisar, N. K. Nishida, S. Nitoh, O. Okuno, S. Olsen, S. L. Ostrowicz, W. Pakhlov, P. Park, H. Park, H. K. Pedlar, T. K. Pestotnik, R. Petric, M. Piilonen, L. E. Ribezl, E. Ritter, M. Roehrken, M. Rostomyan, A. Ryu, S. Saito, T. Sakai, Y. Sandilya, S. Santel, D. Sanuki, T. Sato, Y. Schneider, O. Schnell, G. Schwartz, A. J. Semmler, D. Senyo, K. Sevior, M. E. Shapkin, M. Shebalin, V. Shen, C. P. Shibata, T. -A. Shiu, J. -G. Shwartz, B. Simon, F. Sohn, Y. -S. Sokolov, A. Solovieva, E. Stanic, S. Staric, M. Steder, M. Sumiyoshi, T. Tamponi, U. Tanida, K. Tatishvili, G. Teramoto, Y. Trabelsi, K. Uchida, M. Unno, Y. Uno, S. Urquijo, P. Usov, Y. Van Hulse, C. Vanhoefer, P. Varner, G. Vinokurova, A. Vorobyev, V. Wagner, M. N. Wang, C. H. Wang, P. Wang, X. L. Watanabe, M. Watanabe, Y. Williams, K. M. Won, E. Yamamoto, H. Yamashita, Y. Yashchenko, S. Yook, Y. Yuan, C. Z. Zhang, Z. P. Zhilich, V. Zupanc, A. CA Belle Collaboration TI Amplitude analysis of e(+)e(-) -> Upsilon(nS)pi(+)pi(-) at root s=10.866 GeV SO PHYSICAL REVIEW D LA English DT Article ID RADIATIVE-CORRECTIONS AB We report results on studies of the e(+)e(-) annihilation into three-body Upsilon(nS)pi(+)pi(-) (n = 1, 2, 3) final states including measurements of cross sections and the full amplitude analysis. The cross sections measured at root s = 10.866 GeV and corrected for the initial state radiation are sigma(e(+)e(-) --> Upsilon(1S)pi(+)pi(-)) = (2.27 +/- 0.12 +/- 0.14) pb, sigma(e(+)e(-) --> Upsilon(2S)pi(+)pi(-)) = (4.07 +/- 0.16 +/- 0.45) pb, and sigma(e(+)e(-) --> Upsilon(3S)pi(+)pi(-)) = (1.46 +/- 0.09 +/- 0.16) pb. Amplitude analysis of the three-body Upsilon(nS)pi(+)pi(-) final states strongly favors I-G(J(P)) = 1(+)(1(+)) quantum-number assignments for the two bottomonium-like Z(b)(+/-) states, recently observed in the Upsilon(nS)pi(+) and h(b)(mP)pi(+)(m = 1, 2) decay channels. The results are obtained with a 121.4 fb(-1) data sample collected with the Belle detector at the KEKB asymmetric-energy e(+)e(-) collider. C1 [Schnell, G.; Van Hulse, C.] Univ Basque Cty UPV EHU, Bilbao 48080, Spain. [Shen, C. P.] Beihang Univ, Beijing 100191, Peoples R China. [Urquijo, P.] Univ Bonn, D-53115 Bonn, Germany. [Garmash, A.; Bondar, A.; Kuzmin, A.; Aulchenko, V.; Bobrov, A.; Eidelman, S.; Krokovny, P.; Lukin, P.; Matvienko, D.; Shebalin, V.; Shwartz, B.; Usov, Y.; Vinokurova, A.; Vorobyev, V.; Zhilich, V.] Russian Acad Sci, Budker Inst Nucl Phys, SB, Novosibirsk 630090, Russia. [Garmash, A.; Bondar, A.; Kuzmin, A.; Aulchenko, V.; Bobrov, A.; Eidelman, S.; Krokovny, P.; Lukin, P.; Matvienko, D.; Shebalin, V.; Shwartz, B.; Usov, Y.; Vinokurova, A.; Vorobyev, V.; Zhilich, V.] Novosibirsk State Univ, Novosibirsk 630090, Russia. [Cervenkov, D.; Dolezal, Z.; Kodys, P.] Charles Univ Prague, Fac Math & Phys, Prague 12116, Czech Republic. [Kawai, H.] Chiba Univ, Chiba 2638522, Japan. [Kinoshita, K.; Santel, D.; Schwartz, A. J.] Univ Cincinnati, Cincinnati, OH 45221 USA. [Ferber, T.; Frost, O.; Rostomyan, A.; Steder, M.; Yashchenko, S.] Deutsches Elektronen Synchrotron, D-22607 Hamburg, Germany. [Semmler, D.; Wagner, M. N.] Univ Giessen, D-35392 Giessen, Germany. [Frey, A.] Univ Gottingen, Physikal Inst 2, D-37073 Gottingen, Germany. [Cheon, B. G.; Goh, Y. M.; Unno, Y.] Hanyang Univ, Seoul 133791, South Korea. [Browder, T. E.; Jaegle, I.; Varner, G.] Univ Hawaii, Honolulu, HI 96822 USA. [Adachi, I.; Haba, J.; Hara, T.; Itoh, R.; Iwasaki, Y.; Kichimi, H.; Liventsev, D.; Nakao, M.; Nishida, S.; Sakai, Y.; Trabelsi, K.; Uno, S.] High Energy Accelerator Res Org KEK, Tsukuba, Ibaraki 3050801, Japan. [Schnell, G.] Ikerbasque, Basque Fdn Sci, E-48011 Bilbao, Spain. [Dutta, D.] Indian Inst Technol Guwahati, Gauhati 781039, Assam, India. [Libby, J.; Nayak, M.] Indian Inst Technol Madras, Madras 600036, Tamil Nadu, India. [Liu, Z. Q.; Wang, P.; Yuan, C. Z.] Chinese Acad Sci, Inst High Energy Phys, Beijing 100049, Peoples R China. [Glattauer, R.] Inst High Energy Phys, A-1050 Vienna, Austria. [Shapkin, M.; Sokolov, A.] Inst High Energy Phys, Protvino 142281, Russia. [Mussa, R.; Tamponi, U.] Ist Nazl Fis Nucl, Sez Torino, I-10125 Turin, Italy. [Aushev, T.; Chilikin, K.; Chistov, R.; Drutskoy, A.; Katrenko, P.; Mizuk, R.; Pakhlov, P.; Solovieva, E.] Inst Theoret & Expt Phys, Moscow 117218, Russia. [Bracko, M.; Golob, B.; Klucar, J.; Korpar, S.; Krizan, P.; Pestotnik, R.; Petric, M.; Ribezl, E.; Staric, M.; Zupanc, A.] J Stefan Inst, Ljubljana 1000, Slovenia. [Okuno, S.; Watanabe, Y.] Kanagawa Univ, Yokohama, Kanagawa 2218686, Japan. [Kuhr, T.; Roehrken, M.] Univ Karlsruhe, Inst Expt Kernphys, Karlsruhe Inst Technol, D-76131 Karlsruhe, Germany. [Iwashita, T.] Univ Tokyo, Kavli inst Phys & Math Universe WPI, Kashiwa, Chiba 2778583, Japan. [Cho, K.; Kim, J. H.; Kim, Y. J.] Korea Inst Sci & Technol Informat, Daejeon 305806, South Korea. [Kim, J. B.; Kim, K. T.; Ko, B. R.; Lee, S. -H.; Won, E.] Korea Univ, Seoul 136713, South Korea. [Hyun, H. J.; Kim, M. J.; Park, H.; Park, H. K.] Kyungpook Natl Univ, Taegu 702701, South Korea. [Schneider, O.] Ecole Polytech Fed Lausanne, CH-1015 Lausanne, Switzerland. [Golob, B.; Krizan, P.] Univ Ljubljana, Fac Math & Phys, Ljubljana 1000, Slovenia. [Pedlar, T. K.] Luther Coll, Decorah, IA 52101 USA. [Bracko, M.; Korpar, S.] Univ Maribor, Maribor 2000, Slovenia. [Chekelian, V.; Chobanova, V.; Dalseno, J.; Kiesling, C.; Gioi, L. Li; Moll, A.; Nedelkovska, E.; Ritter, M.; Simon, F.; Vanhoefer, P.] Max Planck Inst Phys & Astrophys, D-80805 Munich, Germany. [Julius, T.; Sevior, M. E.] Univ Melbourne, Sch Phys, Melbourne, Vic 3010, Australia. [Drutskoy, A.; Mizuk, R.; Pakhlov, P.] Moscow Engn Phys Inst, Moscow 115409, Russia. [Iijima, T.] Nagoya Univ, Grad Sch Sci, Nagoya, Aichi 4648602, Japan. [Hayasaka, K.; Iijima, T.] Nagoya Univ, Kobayashi Maskawa Inst, Nagoya, Aichi 4648602, Japan. [Bhardwaj, V.; Hayashii, H.; Miyabayashi, K.] Nara Womens Univ, Nara 6308506, Japan. [Chen, A.] Natl Cent Univ, Chungli 32054, Taiwan. [Wang, C. H.] Natl United Univ, Miaoli 36003, Taiwan. [Hou, W. -S.; Hsiung, Y. B.; Shiu, J. -G.] Natl Taiwan Univ, Dept Phys, Taipei 10617, Taiwan. [Bozek, A.; Natkaniec, Z.; Ostrowicz, W.] H Niewodniczanski Inst Nucl Phys, PL-31342 Krakow, Poland. [Yamashita, Y.] Nippon Dent Univ, Niigata 9518580, Japan. [Kawasaki, T.; Miyata, H.] Niigata Univ, Niigata 9502181, Japan. [Stanic, S.] Univ Nova Gorica, Nova Gorica 5000, Slovenia. [Nakano, E.; Teramoto, Y.] Osaka City Univ, Osaka 5588585, Japan. [Asner, D. M.; Fast, J. E.; Tatishvili, G.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Bala, A.] Panjab Univ, Chandigarh 160014, India. [He, X. H.] Peking Univ, Beijing 100871, Peoples R China. [Liu, C.; Zhang, Z. P.] Univ Sci & Technol China, Hefei 230026, Peoples R China. [Olsen, S. L.; Ryu, S.; Tanida, K.] Seoul Natl Univ, Seoul 151742, South Korea. [Kim, D. Y.] Soongsil Univ, Seoul 156743, South Korea. [Choi, Y.] Sungkyunkwan Univ, Suwon 440746, South Korea. [Bakich, A. M.] Univ Sydney, Sch Phys, Sydney, NSW 2006, Australia. [Abdesselam, A.; Al Said, S.; Ayad, R.; Watanabe, M.] Univ Tabuk, Fac Sci, Dept Phys, Tabuk 71451, Saudi Arabia. [Gaur, V.; Mohanty, G. B.; Nisar, N. K.; Sandilya, S.] Tata Inst Fundamental Res, Mumbai 400005, Maharashtra, India. [Dalseno, J.; Moll, A.; Simon, F.] Tech Univ Munich, Excellence Cluster Universe, D-85748 Garching, Germany. [Hoshi, Y.] Tohoku Gakuin Univ, Tagajo, Miyagi 9858537, Japan. [Ishikawa, A.; Kato, E.; Saito, T.; Sanuki, T.; Sato, Y.; Yamamoto, H.] Tohoku Univ, Sendai, Miyagi 9808578, Japan. [Aihara, H.; Epifanov, D.] Univ Tokyo, Dept Phys, Tokyo 1130033, Japan. [Shibata, T. -A.; Uchida, M.] Tokyo Inst Technol, Tokyo 1528550, Japan. [Sumiyoshi, T.] Tokyo Metropolitan Univ, Tokyo 1920397, Japan. [Nitoh, O.] Tokyo Univ Agr & Technol, Tokyo 1848588, Japan. [Tamponi, U.] Univ Turin, I-10124 Turin, Italy. [Li, Y.; Piilonen, L. E.; Wang, X. L.; Williams, K. M.] Virginia Polytech Inst & State Univ, CNP, Blacksburg, VA 24061 USA. [Bonvicini, G.; Cinabro, D.; Farhat, H.; Ganguly, S.; Gillard, R.] Wayne State Univ, Detroit, MI 48202 USA. [Senyo, K.] Yamagata Univ, Yamagata 9908560, Japan. [Kang, J. H.; Kwon, Y. -J.; Sohn, Y. -S.; Yook, Y.] Yonsei Univ, Seoul 120749, South Korea. [Al Said, S.] King Abdulaziz Univ, Fac Sci, Dept Phys, Jeddah 21589, Saudi Arabia. RP Garmash, A (reprint author), Russian Acad Sci, Budker Inst Nucl Phys, SB, Novosibirsk 630090, Russia. RI Drutskoy, Alexey/C-8833-2016; Cervenkov, Daniel/D-2884-2017; Aihara, Hiroaki/F-3854-2010; Chilikin, Kirill/B-4402-2014; Pakhlov, Pavel/K-2158-2013; Solovieva, Elena/B-2449-2014; Faculty of, Sciences, KAU/E-7305-2017; Mizuk, Roman/B-3751-2014; Krokovny, Pavel/G-4421-2016; Katrenko, Petr/D-1229-2016; EPFL, Physics/O-6514-2016; Chistov, Ruslan/B-4893-2014 OI Drutskoy, Alexey/0000-0003-4524-0422; Cervenkov, Daniel/0000-0002-1865-741X; Aihara, Hiroaki/0000-0002-1907-5964; Chilikin, Kirill/0000-0001-7620-2053; Pakhlov, Pavel/0000-0001-7426-4824; Solovieva, Elena/0000-0002-5735-4059; Krokovny, Pavel/0000-0002-1236-4667; Katrenko, Petr/0000-0002-8808-1786; Chistov, Ruslan/0000-0003-1439-8390 FU Ministry of Education, Culture, Sports, Science, and Technology (MEXT) of Japan; Japan Society for the Promotion of Science (JSPS); Tau-Lepton Physics Research Center of Nagoya University; Australian Research Council; Australian Department of Industry, Innovation, Science and Research; Austrian Science Fund [P 22742-N16]; National Natural Science Foundation of China [10575109, 10775142, 10825524, 10875115, 10935008, 11175187]; Ministry of Education, Youth and Sports of the Czech Republic [LG14034]; Carl Zeiss Foundation; Deutsche Forschungsgemeinschaft; Department of Science and Technology of India; Istituto Nazionale di Fisica Nucleare of Italy; WCU program of the Ministry Education Science and Technology; National Research Foundation of Korea [2011-0029457, 2012-0008143, 2012R1A1A2008330, 2013R1A1A3007772]; BRL program under NRF [KRF-2011-0020333, KRF-2011-0021196]; Center for Korean J-PARC Users [NRF-2013K1A3A7A06056592]; BK21 Plus program; GSDC of the Korea Institute of Science and Technology Information; Polish Ministry of Science and Higher Education; National Science Center; Ministry of Education and Science of the Russian Federation; Russian Federal Agency for Atomic Energy; Russian Foundation for Basic Research Grant [RFBR 12-02-01296, 12-02-33015]; Slovenian Research Agency; Basque Foundation for Science (IKERBASQUE); UPV/EHU under program UFI [11/55]; Swiss National Science Foundation; National Science Council; Ministry of Education of Taiwan; U.S. Department of Energy; National Science Foundation; MEXT for Science Research in a Priority Area ("New Development of Flavor Physics"); JSPS for Creative Scientific Research ("Evolution of Tau-lepton Physics"); VolkswagenStiftung FX We thank the KEKB group for the excellent operation of the accelerator; the KEK cryogenics group for the efficient operation of the solenoid; and the KEK computer group, the National Institute of Informatics, and the PNNL/EMSL computing group for valuable computing and SINET4 network support. We acknowledge support from the Ministry of Education, Culture, Sports, Science, and Technology (MEXT) of Japan, the Japan Society for the Promotion of Science (JSPS), and the Tau-Lepton Physics Research Center of Nagoya University; the Australian Research Council and the Australian Department of Industry, Innovation, Science and Research; Austrian Science Fund under Grant No. P 22742-N16; the National Natural Science Foundation of China under Contracts No. 10575109, No. 10775142, No. 10825524, No. 10875115, No. 10935008 and No. 11175187; the Ministry of Education, Youth and Sports of the Czech Republic under Contract No. LG14034; the Carl Zeiss Foundation, the Deutsche Forschungsgemeinschaft and the VolkswagenStiftung; the Department of Science and Technology of India; the Istituto Nazionale di Fisica Nucleare of Italy; the WCU program of the Ministry Education Science and Technology, National Research Foundation of Korea Grants No. 2011-0029457, No. 2012-0008143, No. 2012R1A1A2008330, and No. 2013R1A1A3007772; the BRL program under NRF Grant No. KRF-2011-0020333 and No. KRF-2011-0021196, Center for Korean J-PARC Users, No. NRF-2013K1A3A7A06056592; the BK21 Plus program and the GSDC of the Korea Institute of Science and Technology Information; the Polish Ministry of Science and Higher Education and the National Science Center; the Ministry of Education and Science of the Russian Federation, the Russian Federal Agency for Atomic Energy and the Russian Foundation for Basic Research Grants No. RFBR 12-02-01296 and No. 12-02-33015; the Slovenian Research Agency; the Basque Foundation for Science (IKERBASQUE) and the UPV/EHU under program UFI 11/55; the Swiss National Science Foundation; the National Science Council and the Ministry of Education of Taiwan; and the U.S. Department of Energy and the National Science Foundation. This work is supported by a Grant-in-Aid from MEXT for Science Research in a Priority Area ("New Development of Flavor Physics") and from JSPS for Creative Scientific Research ("Evolution of Tau-lepton Physics"). NR 32 TC 18 Z9 18 U1 0 U2 20 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 EI 1550-2368 J9 PHYS REV D JI Phys. Rev. D PD APR 6 PY 2015 VL 91 IS 7 AR 072003 DI 10.1103/PhysRevD.91.072003 PG 16 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA CE9VH UT WOS:000352191000003 ER PT J AU Ji, XD Sun, P Xiong, XN Yuan, F AF Ji, Xiangdong Sun, Peng Xiong, Xiaonu Yuan, Feng TI Soft factor subtraction and transverse momentum dependent parton distributions on the lattice SO PHYSICAL REVIEW D LA English DT Article ID TO-BACK JETS AB We study the transverse momentum dependent (TMD) parton distributions in the newly proposed quasiparton distribution function framework in Euclidean space. In this framework, the parton distributions can be extracted from lattice observables in a systematic expansion of 1/P-z where P-z is the hadron momentum. A soft factor subtraction is found to be essential to make the TMDs calculable on the lattice. We show that the quasi-TMDs with the associated soft factor subtraction can be applied in hard QCD scattering processes such as Drell-Yan lepton pair production in hadronic collisions. This allows future lattice calculations to provide information on the nonperturbative inputs and energy evolutions for the TMDs. Extension to the generalized parton distributions and quantum phase space Wigner distributions will lead to a complete nucleon tomography on the lattice. C1 [Ji, Xiangdong] Shanghai Jiao Tong Univ, INPAC, Dept Phys, Shanghai 200240, Peoples R China. [Ji, Xiangdong] Shanghai Jiao Tong Univ, Shanghai Key Lab Particle Phys & Cosmol, Shanghai 200240, Peoples R China. [Ji, Xiangdong; Xiong, Xiaonu] Peking Univ, Ctr High Energy Phys, Beijing 100080, Peoples R China. [Ji, Xiangdong] Univ Maryland, Maryland Ctr Fundamental Phys, College Pk, MD 20742 USA. [Sun, Peng; Yuan, Feng] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA. RP Ji, XD (reprint author), Shanghai Jiao Tong Univ, INPAC, Dept Phys, Shanghai 200240, Peoples R China. FU U.S. Department of Energy [DE-FG02-93ER-40762, DE-AC02-05CH11231]; National Science Foundation of China FX We thank J. Collins, M. Diehl, M. Engelhardt, J. W. Qiu, J. Zhang, and Y. Zhao for discussions and comments. This work was partially supported by the U.S. Department of Energy via Grants No. DE-FG02-93ER-40762 and No. DE-AC02-05CH11231 and a grant from the National Science Foundation of China (X. J.). NR 24 TC 10 Z9 10 U1 0 U2 4 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2470-0010 EI 2470-0029 J9 PHYS REV D JI Phys. Rev. D PD APR 6 PY 2015 VL 91 IS 7 AR 074009 DI 10.1103/PhysRevD.91.074009 PG 6 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA CE9VH UT WOS:000352191000007 ER PT J AU Kang, ZB Prokudin, A Sun, P Yuan, F AF Kang, Zhong-Bo Prokudin, Alexei Sun, Peng Yuan, Feng TI Nucleon tensor charge from Collins azimuthal asymmetry measurements SO PHYSICAL REVIEW D LA English DT Article ID TRANSVERSE-MOMENTUM DISTRIBUTIONS; DEPENDENT PARTON DISTRIBUTIONS; SPIN ASYMMETRIES; FRAGMENTATION; EVOLUTION; ANNIHILATION; QUARKS; SIDIS AB We investigate the nucleon tensor charge from current experiments by a combined analysis of the Collins asymmetries in two hadron production in e(+)e(-) annihilations and semi-inclusive hadron production in deep inelastic scattering processes. The transverse momentum dependent evolution is taken into account, for the first time, in the global fit of the Collins fragmentation functions and the quark transversity distributions at the approximate next-to-leading logarithmic order. We obtain the nucleon tensor charge contribution from up and down quarks as delta u = +0.30(-0.08)(+0.12) and delta d = -0.20(-0.11)(+0.28) at 90% confidence level for momentum fraction 0.0065 <= x(B) <= 0.35 and Q(2) = 10 GeV2. C1 [Kang, Zhong-Bo] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Prokudin, Alexei] Jefferson Lab, Newport News, VA 23606 USA. [Sun, Peng; Yuan, Feng] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA. RP Kang, ZB (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM zkang@lanl.gov; prokudin@jlab.org; psun@lbl.gov; fyuan@lbl.gov RI Kang, Zhongbo/P-3645-2014 FU U.S. Department of Energy, Office of Science, Office of Nuclear Physics [DE-AC02-05CH11231, DE-AC52-06NA25396, DE-AC05-06OR23177] FX We thank D. Boer, M. Pennington, J. Qiu, W. Vogelsang, and C.-P. Yuan for the discussions and suggestions. This material is based upon work supported by the U.S. Department of Energy, Office of Science, Office of Nuclear Physics, under Contracts No. DE-AC02-05CH11231 (P. S., F. Y.), No. DE-AC52-06NA25396 (Z. K.), and No. DE-AC05-06OR23177 (A. P.). NR 57 TC 20 Z9 20 U1 1 U2 2 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 EI 1550-2368 J9 PHYS REV D JI Phys. Rev. D PD APR 6 PY 2015 VL 91 IS 7 AR 071501 DI 10.1103/PhysRevD.91.071501 PG 6 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA CE9VH UT WOS:000352191000001 ER PT J AU Sorensen, P AF Sorensen, Peter TI Atomic limits in the search for galactic dark matter SO PHYSICAL REVIEW D LA English DT Article ID NUCLEAR RECOILS; LOW-ENERGY; SILICON ATOMS; HEAVY-IONS; SCINTILLATION; IONIZATION; XENON; PARTICLES; DETECTOR; CRYSTAL AB Direct searches for low-mass dark matter particles via scattering off target nuclei require detection of recoiling atoms with energies of similar to 1 keV or less. The amount of electronic excitation produced by such atoms is quenched relative to a recoiling electron of the same energy. The Lindhard model of this quenching, as originally formulated, remains widely used after more than 50 years. The present work shows that for very small energies, a simplifying approximation of that model must be removed. This leads to a kinematic cutoff in the production of electronic excitation. Implications for the sensitivity of direct detection experiments are discussed. C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Sorensen, P (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM pfsorensen@lbl.gov FU U.S. Department of Energy (DOE), Office of Science, Office of High Energy Physics [DE-AC02-05CH11231] FX The author gratefully acknowledges support from the U.S. Department of Energy (DOE), Office of Science, Office of High Energy Physics under Award No. DE-AC02-05CH11231. Discussions with Jeremy Mardon were particularly helpful, as were suggestions from Harry Nelson, Dan McKinsey and Chris Savage. NR 45 TC 3 Z9 3 U1 1 U2 2 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 EI 1550-2368 J9 PHYS REV D JI Phys. Rev. D PD APR 6 PY 2015 VL 91 IS 8 AR 083509 DI 10.1103/PhysRevD.91.083509 PG 8 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA CE9VJ UT WOS:000352191200004 ER PT J AU Morgan, BE Wickett, ME AF Morgan, Brandon E. Wickett, Michael E. TI Three-equation model for the self-similar growth of Rayleigh-Taylor and Richtmyer-Meskov instabilities SO PHYSICAL REVIEW E LA English DT Article ID MESHKOV INSTABILITY; NUMERICAL SIMULATIONS; ATWOOD NUMBERS; DEPENDENCE AB In the present work, the two-equation k-L model [G. Dimonte and R. Tipton, Phys. Fluids 18, 085101 (2006)] is extended by the addition of a third equation for the mass-flux velocity. A set of model constants is derived to satisfy an ansatz of self-similarity in the low Atwood number limit. The model is then applied to the simulation of canonical Rayleigh-Taylor and Richtmyer-Meshkov test problems in one dimension and is demonstrated to reproduce analytical self-similar growth and to recover growth rates used to constrain the model. C1 [Morgan, Brandon E.; Wickett, Michael E.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Morgan, BE (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. FU Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX This work was preformed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344. NR 19 TC 0 Z9 0 U1 1 U2 12 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2470-0045 EI 2470-0053 J9 PHYS REV E JI Phys. Rev. E PD APR 6 PY 2015 VL 91 IS 4 AR 043002 DI 10.1103/PhysRevE.91.043002 PG 9 WC Physics, Fluids & Plasmas; Physics, Mathematical SC Physics GA CE9VM UT WOS:000352191500003 PM 25974575 ER PT J AU Nesterov, AI Berman, GP AF Nesterov, Alexander I. Berman, Gennady P. TI Role of protein fluctuation correlations in electron transfer in photosynthetic complexes SO PHYSICAL REVIEW E LA English DT Article ID MODEL; TEMPERATURE; DYNAMICS; NOISE AB We consider the dependence of the electron transfer in photosynthetic complexes on correlation properties of random fluctuations of the protein environment. The electron subsystem is modeled by a finite network of connected electron (exciton) sites. The fluctuations of the protein environment are modeled by random telegraph processes, which act either collectively (correlated) or independently (uncorrelated) on the electron sites. We derived an exact closed system of first-order linear differential equations with constant coefficients, for the average density matrix elements and for their first moments. Under some conditions, we obtained analytic expressions for the electron transfer rates and found the range of parameters for their applicability by comparing with the exact numerical simulations. We also compared the correlated and uncorrelated regimes and demonstrated numerically that the uncorrelated fluctuations of the protein environment can, under some conditions, either increase or decrease the electron transfer rates. C1 [Nesterov, Alexander I.] Univ Guadalajara, Dept Fis, CUCEI, Guadalajara 44420, Jalisco, Mexico. [Berman, Gennady P.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87544 USA. [Berman, Gennady P.] New Mexico Consortium, Los Alamos, NM 87544 USA. RP Nesterov, AI (reprint author), Univ Guadalajara, Dept Fis, CUCEI, Ave Revoluc 1500, Guadalajara 44420, Jalisco, Mexico. EM nesterov@cencar.udg.mx; gpb@lanl.gov OI Nesterov, Alexander/0000-0002-4801-4570 FU U.S. Department of Energy at Los Alamos National Laboratory [DE-AC52-06NA25396]; CONACyT [15349] FX This work was carried out 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. A.I.N. acknowledges support from the CONACyT Grant No. 15349. NR 25 TC 6 Z9 6 U1 1 U2 3 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1539-3755 EI 1550-2376 J9 PHYS REV E JI Phys. Rev. E PD APR 6 PY 2015 VL 91 IS 4 AR 042702 DI 10.1103/PhysRevE.91.042702 PG 8 WC Physics, Fluids & Plasmas; Physics, Mathematical SC Physics GA CE9VM UT WOS:000352191500002 ER PT J AU Choi, K Abe, K Haga, Y Hayato, Y Iyogi, K Kameda, J Kishimoto, Y Miura, M Moriyama, S Nakahata, M Nakano, Y Nakayama, S Sekiya, H Shiozawa, M Suzuki, Y Takeda, A Tomura, T Wendell, RA Irvine, T Kajita, T Kametani, I Kaneyuki, K Lee, KP Nishimura, Y Okumura, K McLachlan, T Labarga, L Kearns, E Raaf, JL Stone, JL Sulak, LR Berkman, S Tanaka, HA Tobayama, S Goldhaber, M Carminati, G Kropp, WR Mine, S Renshaw, A Smy, MB Sobel, HW Ganezer, KS Hill, J Hong, N Kim, JY Lim, IT Akiri, T Himmel, A Scholberg, K Walter, CW Wongjirad, T Ishizuka, T Tasaka, S Jang, JS Learned, G Matsuno, S Smith, SN Hasegawa, T Ishida, T Ishii, T Kobayashi, T Nakadaira, T Nakamura, K Oyama, Y Sakashita, K Sekiguchi, T Tsukamoto, T Suzuki, AT Takeuchi, Y Bronner, C Hirota, S Huang, K Ieki, K Ikeda, M Kikawa, T Minamino, A Nakaya, T Suzuki, K Takahashi, S Fukuda, Y Itow, Y Mitsuka, G Mijakowski, P Hignight, J Imber, J Jung, CK Yanagisawa, C Ishino, H Kibayashi, A Koshio, Y Mori, T Sakuda, M Yano, T Kuno, Y Tacik, R Kim, SB Okazawa, H Choi, Y Nishijima, K Koshiba, M Totsuka, Y Yokoyama, M Martens, K Marti, L Vagins, MR Martin, JF De Perio, P Konaka, A Wilking, MJ Chen, S Zhang, Y Wilkes, RJ AF Choi, K. Abe, K. Haga, Y. Hayato, Y. Iyogi, K. Kameda, J. Kishimoto, Y. Miura, M. Moriyama, S. Nakahata, M. Nakano, Y. Nakayama, S. Sekiya, H. Shiozawa, M. Suzuki, Y. Takeda, A. Tomura, T. Wendell, R. A. Irvine, T. Kajita, T. Kametani, I. Kaneyuki, K. Lee, K. P. Nishimura, Y. Okumura, K. McLachlan, T. Labarga, L. Kearns, E. Raaf, J. L. Stone, J. L. Sulak, L. R. Berkman, S. Tanaka, H. A. Tobayama, S. Goldhaber, M. Carminati, G. Kropp, W. R. Mine, S. Renshaw, A. Smy, M. B. Sobel, H. W. Ganezer, K. S. Hill, J. Hong, N. Kim, J. Y. Lim, I. T. Akiri, T. Himmel, A. Scholberg, K. Walter, C. W. Wongjirad, T. Ishizuka, T. Tasaka, S. Jang, J. S. Learned, G. Matsuno, S. Smith, S. N. Hasegawa, T. Ishida, T. Ishii, T. Kobayashi, T. Nakadaira, T. Nakamura, K. Oyama, Y. Sakashita, K. Sekiguchi, T. Tsukamoto, T. Suzuki, A. T. Takeuchi, Y. Bronner, C. Hirota, S. Huang, K. Ieki, K. Ikeda, M. Kikawa, T. Minamino, A. Nakaya, T. Suzuki, K. Takahashi, S. Fukuda, Y. Itow, Y. Mitsuka, G. Mijakowski, P. Hignight, J. Imber, J. Jung, C. K. Yanagisawa, C. Ishino, H. Kibayashi, A. Koshio, Y. Mori, T. Sakuda, M. Yano, T. Kuno, Y. Tacik, R. Kim, S. B. Okazawa, H. Choi, Y. Nishijima, K. Koshiba, M. Totsuka, Y. Yokoyama, M. Martens, K. Marti, Ll. Vagins, M. R. Martin, J. F. De Perio, P. Konaka, A. Wilking, M. J. Chen, S. Zhang, Y. Wilkes, R. J. CA Super Kamiokande Collaboration TI Search for Neutrinos from Annihilation of Captured Low-Mass Dark Matter Particles in the Sun by Super-Kamiokande SO PHYSICAL REVIEW LETTERS LA English DT Article ID CONSTRAINTS; CANDIDATES; DETECTOR; PHYSICS; LIMITS AB Super-Kamiokande (SK) can search for weakly interacting massive particles (WIMPs) by detecting neutrinos produced from WIMP annihilations occurring inside the Sun. In this analysis, we include neutrino events with interaction vertices in the detector in addition to upward-going muons produced in the surrounding rock. Compared to the previous result, which used the upward-going muons only, the signal acceptances for light (few-GeV/c(2)-200-GeV/c(2)) WIMPs are significantly increased. We fit 3903 days of SK data to search for the contribution of neutrinos from WIMP annihilation in the Sun. We found no significant excess over expected atmospheric-neutrino background and the result is interpreted in terms of upper limits on WIMP-nucleon elastic scattering cross sections under different assumptions about the annihilation channel. We set the current best limits on the spin-dependent WIMP-proton cross section for WIMP masses below 200 GeV/c(2) (at 10 GeV/c(2), 1.49 x 10(-39) cm(2) for chi chi -> (b) over barb and 1.31 x 10(-40) cm(2) for chi chi -> tau(+)tau(-) annihilation channels), also ruling out some fraction of WIMP candidates with spin-independent coupling in the few-GeV/c(2) mass range. C1 [Abe, K.; Haga, Y.; Hayato, Y.; Iyogi, K.; Kameda, J.; Kishimoto, Y.; Miura, M.; Moriyama, S.; Nakahata, M.; Nakano, Y.; Nakayama, S.; Sekiya, H.; Shiozawa, M.; Suzuki, Y.; Takeda, A.; Tomura, T.; Wendell, R. A.] Univ Tokyo, Inst Cosm Ray Res, Kamioka Observ, Kamioka, Gifu 5061205, Japan. [Kameda, J.; Irvine, T.; Kajita, T.; Kametani, I.; Kaneyuki, K.; Lee, K. P.; Nishimura, Y.; Okumura, K.; McLachlan, T.] Univ Tokyo, Inst Cosm Ray Res, Res Ctr Cosm Neutrinos, Kashiwa, Chiba 2778582, Japan. [Labarga, L.] Univ Autonoma Madrid, Dept Theoret Phys, E-28049 Madrid, Spain. [Kearns, E.; Raaf, J. L.; Stone, J. L.; Sulak, L. R.] Boston Univ, Dept Phys, Boston, MA 02215 USA. [Berkman, S.; Tanaka, H. A.; Tobayama, S.] Univ British Columbia, Dept Phys & Astron, Vancouver, BC V6T 1Z4, Canada. [Goldhaber, M.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. [Carminati, G.; Kropp, W. R.; Mine, S.; Renshaw, A.; Smy, M. B.; Sobel, H. W.; Vagins, M. R.] Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA. [Ganezer, K. S.; Hill, J.] Calif State Univ Dominguez Hills, Dept Phys, Carson, CA 90747 USA. [Hong, N.; Kim, J. Y.; Lim, I. T.] Chonnam Natl Univ, Dept Phys, Kwangju 500757, South Korea. [Akiri, T.; Himmel, A.; Scholberg, K.; Walter, C. W.; Wongjirad, T.] Duke Univ, Dept Phys, Durham, NC 27708 USA. [Ishizuka, T.] Fukuoka Inst Technol, Jr Coll, Fukuoka 8110295, Japan. [Tasaka, S.] Gifu Univ, Dept Phys, Gifu 5011193, Japan. [Jang, J. S.] Gwangju Inst Sci & Technol, GIST Coll, Gwangju 500712, South Korea. [Learned, G.; Matsuno, S.] Univ Hawaii, Dept Phys & Astron, Honolulu, HI 96822 USA. [Hasegawa, T.; Ishida, T.; Ishii, T.; Kobayashi, T.; Nakadaira, T.; Nakamura, K.; Oyama, Y.; Sakashita, K.; Sekiguchi, T.; Tsukamoto, T.] High Energy Accelerator Res Org KEK, Tsukuba, Ibaraki 3050801, Japan. [Suzuki, A. T.; Takeuchi, Y.] Kobe Univ, Dept Phys, Kobe, Hyogo 6578501, Japan. [Bronner, C.; Hirota, S.; Huang, K.; Ieki, K.; Ikeda, M.; Kikawa, T.; Minamino, A.; Nakaya, T.; Suzuki, K.; Takahashi, S.] Kyoto Univ, Dept Phys, Kyoto 6068502, Japan. [Fukuda, Y.] Miyagi Univ Educ, Dept Phys, Sendai, Miyagi 9800845, Japan. [Choi, K.; Itow, Y.; Mitsuka, G.] Nagoya Univ, Solar Terr Environm Lab, Nagoya, Aichi 4648602, Japan. [Mijakowski, P.] Natl Ctr Nucl Res, PL-00681 Warsaw, Poland. [Hignight, J.; Imber, J.; Jung, C. K.; Yanagisawa, C.] SUNY Stony Brook, Dept Phys & Astron, New York, NY 11794 USA. [Ishino, H.; Kibayashi, A.; Koshio, Y.; Mori, T.; Sakuda, M.; Yano, T.] Okayama Univ, Dept Phys, Okayama 7008530, Japan. [Kuno, Y.] Osaka Univ, Dept Phys, Toyonaka, Osaka 5600043, Japan. [Tacik, R.] Univ Regina, Dept Phys, Regina, SK S4S 0A2, Canada. [Kim, S. B.] Seoul Natl Univ, Dept Phys, Seoul 151742, South Korea. [Okazawa, H.] Shizuoka Univ Welf, Dept Informat Social Welf, Yaizu, Shizuoka 4258611, Japan. [Choi, Y.] Sungkyunkwan Univ, Dept Phys, Suwon 440746, South Korea. [Nishijima, K.] Tokai Univ, Dept Phys, Hiratsuka, Kanagawa 2591292, Japan. [Koshiba, M.; Totsuka, Y.; Yokoyama, M.] Univ Tokyo, Bunkyo Ku, Tokyo 1130033, Japan. [Abe, K.; Hayato, Y.; Kameda, J.; Kishimoto, Y.; Moriyama, S.; Nakayama, S.; Sekiya, H.; Suzuki, Y.; Takeda, A.; Tomura, T.; Wendell, R. A.; Kajita, T.; Kaneyuki, K.; Okumura, K.; Stone, J. L.; Smy, M. B.; Sobel, H. W.; Scholberg, K.; Walter, C. W.; Nakamura, K.; Nakaya, T.; Yokoyama, M.; Martens, K.; Marti, Ll.; Vagins, M. R.] Univ Tokyo, Todai Inst Adv Study, Kavli Inst Phys & Math Universe WPI, Kashiwa, Chiba 2778582, Japan. [Marti, Ll.; De Perio, P.] Univ Toronto, Dept Phys, Toronto, ON M5S 1A7, Canada. [Tacik, R.; Konaka, A.; Wilking, M. J.] TRIUMF, Vancouver, BC V6T 2A3, Canada. [Chen, S.; Zhang, Y.] Tsinghua Univ, Dept Engn Phys, Beijing 100084, Peoples R China. [Wilkes, R. J.] Univ Washington, Dept Phys, Seattle, WA 98195 USA. RP Choi, K (reprint author), Univ Tokyo, Inst Cosm Ray Res, Kamioka Observ, Kamioka, Gifu 5061205, Japan. EM kounchoi@hawaii.edu RI Yokoyama, Masashi/A-4458-2011; Ishino, Hirokazu/C-1994-2015; Kibayashi, Atsuko/K-7327-2015; Koshio, Yusuke/C-2847-2015; Nakano, Yuuki/S-2684-2016 OI Yokoyama, Masashi/0000-0003-2742-0251; Ishino, Hirokazu/0000-0002-8623-4080; Koshio, Yusuke/0000-0003-0437-8505; FU Japanese Ministry of Education, Culture, Sports, Science and Technology; U.S. Department of Energy; U.S. National Science Foundation FX We gratefully acknowledge cooperation of the Kamioka Mining and Smelting Company. The Super-Kamiokande experiment was built and has been operated with funding from the Japanese Ministry of Education, Culture, Sports, Science and Technology, the U.S. Department of Energy, and the U.S. National Science Foundation. NR 55 TC 51 Z9 51 U1 0 U2 16 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 6 PY 2015 VL 114 IS 14 AR 141301 DI 10.1103/PhysRevLett.114.141301 PG 6 WC Physics, Multidisciplinary SC Physics GA CE9VT UT WOS:000352192200005 PM 25910107 ER PT J AU Ma, T Hurricane, OA Callahan, DA Barrios, MA Casey, DT Dewald, EL Dittrich, TR Doppner, T Haan, SW Hinkel, DE Hopkins, LFB Le Pape, S MacPhee, AG Pak, A Park, HS Patel, PK Remington, BA Robey, HF Salmonson, JD Springer, PT Tommasini, R Benedetti, LR Bionta, R Bond, E Bradley, DK Caggiano, J Celliers, P Cerjan, CJ Church, JA Dixit, S Dylla-Spears, R Edgell, D Edwards, MJ Field, J Fittinghoff, DN Frenje, JA Johnson, MG Grim, G Guler, N Hatarik, R Herrmann, HW Hsing, WW Izumi, N Jones, OS Khan, SF Kilkenny, JD Knauer, J Kohut, T Kozioziemski, B Kritcher, A Kyrala, G Landen, OL MacGowan, BJ Mackinnon, AJ Meezan, NB Merrill, FE Moody, JD Nagel, SR Nikroo, A Parham, T Ralph, JE Rosen, MD Rygg, JR Sater, J Sayre, D Schneider, MB Shaughnessy, D Spears, BK Town, RPJ Volegov, PL Wan, A Widmann, K Wilde, CH Yeamans, C AF Ma, T. Hurricane, O. A. Callahan, D. A. Barrios, M. A. Casey, D. T. Dewald, E. L. Dittrich, T. R. Doeppner, T. Haan, S. W. Hinkel, D. E. Hopkins, L. F. Berzak Le Pape, S. MacPhee, A. G. Pak, A. Park, H. -S. Patel, P. K. Remington, B. A. Robey, H. F. Salmonson, J. D. Springer, P. T. Tommasini, R. Benedetti, L. R. Bionta, R. Bond, E. Bradley, D. K. Caggiano, J. Celliers, P. Cerjan, C. J. Church, J. A. Dixit, S. Dylla-Spears, R. Edgell, D. Edwards, M. J. Field, J. Fittinghoff, D. N. Frenje, J. A. Johnson, M. Gatu Grim, G. Guler, N. Hatarik, R. Herrmann, H. W. Hsing, W. W. Izumi, N. Jones, O. S. Khan, S. F. Kilkenny, J. D. Knauer, J. Kohut, T. Kozioziemski, B. Kritcher, A. Kyrala, G. Landen, O. L. MacGowan, B. J. Mackinnon, A. J. Meezan, N. B. Merrill, F. E. Moody, J. D. Nagel, S. R. Nikroo, A. Parham, T. Ralph, J. E. Rosen, M. D. Rygg, J. R. Sater, J. Sayre, D. Schneider, M. B. Shaughnessy, D. Spears, B. K. Town, R. P. J. Volegov, P. L. Wan, A. Widmann, K. Wilde, C. H. Yeamans, C. TI Thin Shell, High Velocity Inertial Confinement Fusion Implosions on the National Ignition Facility SO PHYSICAL REVIEW LETTERS LA English DT Article ID SIMULATIONS; TARGETS AB Experiments have recently been conducted at the National Ignition Facility utilizing inertial confinement fusion capsule ablators that are 175 and 165 mu m in thickness, 10% and 15% thinner, respectively, than the nominal thickness capsule used throughout the high foot and most of the National Ignition Campaign. These three-shock, high-adiabat, high-foot implosions have demonstrated good performance, with higher velocity and better symmetry control at lower laser powers and energies than their nominal thickness ablator counterparts. Little to no hydrodynamic mix into the DT hot spot has been observed despite the higher velocities and reduced depth for possible instability feedthrough. Early results have shown good repeatability, with up to 1/2 the neutron yield coming from alpha-particle self-heating. C1 [Ma, T.; Hurricane, O. A.; Callahan, D. A.; Barrios, M. A.; Casey, D. T.; Dewald, E. L.; Dittrich, T. R.; Doeppner, T.; Haan, S. W.; Hinkel, D. E.; Hopkins, L. F. Berzak; Le Pape, S.; MacPhee, A. G.; Pak, A.; Park, H. -S.; Patel, P. K.; Remington, B. A.; Robey, H. F.; Salmonson, J. D.; Springer, P. T.; Tommasini, R.; Benedetti, L. R.; Bionta, R.; Bond, E.; Bradley, D. K.; Caggiano, J.; Celliers, P.; Cerjan, C. J.; Church, J. A.; Dixit, S.; Dylla-Spears, R.; Edwards, M. J.; Field, J.; Fittinghoff, D. N.; Hatarik, R.; Hsing, W. W.; Izumi, N.; Jones, O. S.; Khan, S. F.; Kohut, T.; Kozioziemski, B.; Kritcher, A.; Landen, O. L.; MacGowan, B. J.; Mackinnon, A. J.; Meezan, N. B.; Moody, J. D.; Nagel, S. R.; Parham, T.; Ralph, J. E.; Rosen, M. D.; Rygg, J. R.; Sater, J.; Sayre, D.; Schneider, M. B.; Shaughnessy, D.; Spears, B. K.; Town, R. P. J.; Wan, A.; Widmann, K.; Yeamans, C.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Edgell, D.; Knauer, J.] Univ Rochester, Laser Energet Lab, Rochester, NY 14623 USA. [Frenje, J. A.; Johnson, M. Gatu] MIT, Plasma Sci & Fus Ctr, Cambridge, MA 02139 USA. [Grim, G.; Guler, N.; Herrmann, H. W.; Kyrala, G.; Merrill, F. E.; Volegov, P. L.; Wilde, C. H.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Kilkenny, J. D.; Nikroo, A.] Gen Atom Co, San Diego, CA 92186 USA. RP Ma, T (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RI MacKinnon, Andrew/P-7239-2014; lepape, sebastien/J-3010-2015; IZUMI, Nobuhiko/J-8487-2016; Patel, Pravesh/E-1400-2011; Tommasini, Riccardo/A-8214-2009 OI MacKinnon, Andrew/0000-0002-4380-2906; IZUMI, Nobuhiko/0000-0003-1114-597X; Tommasini, Riccardo/0000-0002-1070-3565 FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX We wish to thank the NIF operations team. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344. NR 36 TC 15 Z9 16 U1 6 U2 44 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 6 PY 2015 VL 114 IS 14 AR 145004 DI 10.1103/PhysRevLett.114.145004 PG 6 WC Physics, Multidisciplinary SC Physics GA CE9VT UT WOS:000352192200016 PM 25910132 ER PT J AU Rykovanov, SG Schroeder, CB Esarey, E Geddes, CGR Leemans, WP AF Rykovanov, S. G. Schroeder, C. B. Esarey, E. Geddes, C. G. R. Leemans, W. P. TI Plasma Undulator Based on Laser Excitation of Wakefields in a Plasma Channel SO PHYSICAL REVIEW LETTERS LA English DT Article ID X-RAYS; BEAMS AB An undulator is proposed based on the plasma wakefields excited by a laser pulse in a plasma channel. Generation of the undulator fields is achieved by inducing centroid oscillations of the laser pulse in the channel. The period of such an undulator is proportional to the Rayleigh length of the laser pulse and can be submillimeter, while preserving high undulator strength. The electron trajectories in the undulator are examined, expressions for the undulator strength are presented, and the spontaneous radiation is calculated. Multimode and multicolor laser pulses are considered for greater tunability of the undulator period and strength. C1 [Rykovanov, S. G.; Schroeder, C. B.; Esarey, E.; Geddes, C. G. R.; Leemans, W. P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Rykovanov, SG (reprint author), Helmholtz Inst Jena, Frobelstieg 3, D-07743 Jena, Germany. OI Schroeder, Carl/0000-0002-9610-0166 FU Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231]; Helmholtz Association [VH-NG-1037] FX This work was supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231 and Helmholtz Association (Young Investigator's Group VH-NG-1037). We would like to acknowledge fruitful discussions with M. Zolotorev, C. Benedetti, S. S. Bulanov, and F. Rossi. NR 33 TC 5 Z9 5 U1 3 U2 24 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 6 PY 2015 VL 114 IS 14 AR 145003 DI 10.1103/PhysRevLett.114.145003 PG 5 WC Physics, Multidisciplinary SC Physics GA CE9VT UT WOS:000352192200015 PM 25910131 ER PT J AU Das, S Herklotz, A Pippel, E Guo, EJ Rata, D Dorr, K AF Das, Sujit Herklotz, Andreas Pippel, Eckhard Guo, Er Jia Rata, Diana Doerr, Kathrin TI Strain dependence of antiferromagnetic interface coupling in La0.7Sr0.3MnO3/SrRuO3 superlattices SO PHYSICAL REVIEW B LA English DT Article ID EXCHANGE BIAS; ELECTRON-GAS AB We have investigated the magnetic response of La0.7Sr0.3MnO3/SrRuO3 superlattices to biaxial in-plane strain applied in situ. Superlattices grown on piezoelectric substrates of 0.72PbMg(1/3)Nb(2/3)O(3)-0.28PbTiO(3)(001) (PMN-PT) show strong antiferromagnetic coupling of the two ferromagnetic components. The coupling field of mu H-0(AF) = 1.8 T is found to change by mu(0)Delta H-AF/Delta epsilon similar to -520 mT %(-1) under reversible biaxial strain Delta epsilon at 80 K in a [La0.7Sr0.3MnO3(22 angstrom)/SrRuO3(55 angstrom)](15) superlattice. This reveals a significant strain effect on interfacial coupling. The applied in-plane compression enhances the ferromagnetic order in the manganite layers, which are under as-grown tensile strain, leading to a larger net coupling of SrRuO3 layers at the interface. It is thus difficult to disentangle the contributions from strain-dependent antiferromagnetic Mn-O-Ru interface coupling and Mn-O-Mn ferromagnetic double exchange near the interface for the strength of the apparent antiferromagnetic coupling. We discuss our results in the framework of available models. C1 [Das, Sujit; Herklotz, Andreas; Guo, Er Jia; Rata, Diana; Doerr, Kathrin] MLU Halle Wittenberg, Inst Phys, D-06099 Halle, Germany. [Das, Sujit; Herklotz, Andreas; Guo, Er Jia; Doerr, Kathrin] IFW Dresden, D-01069 Dresden, Germany. [Herklotz, Andreas] Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. [Pippel, Eckhard] Max Planck Inst Microstruct Phys, D-06120 Halle, Germany. [Guo, Er Jia] Johannes Gutenberg Univ Mainz, Inst Phys, D-55128 Mainz, Germany. RP Das, S (reprint author), MLU Halle Wittenberg, Inst Phys, D-06099 Halle, Germany. EM sujitdask@gmail.com; kathrin.doerr@physik.uni-halle.de RI Guo, Er-Jia/F-5229-2012 OI Guo, Er-Jia/0000-0001-5702-225X FU Deutsche Forschungsgemeinschaft (DFG) within the Collaborative Research Center "Functionality of Oxide Interfaces" [SFB 762] FX This work was supported by the Deutsche Forschungsgemeinschaft (DFG) within the Collaborative Research Center SFB 762 "Functionality of Oxide Interfaces." We thank A. Ernst for discussions. NR 29 TC 6 Z9 6 U1 4 U2 59 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD APR 6 PY 2015 VL 91 IS 13 AR 134405 DI 10.1103/PhysRevB.91.134405 PG 7 WC Physics, Condensed Matter SC Physics GA CE9UF UT WOS:000352188200004 ER PT J AU Karel, J Juraszek, J Minar, J Bordel, C Stone, KH Zhang, YN Hu, J Wu, RQ Ebert, H Kortright, JB Hellman, F AF Karel, J. Juraszek, J. Minar, J. Bordel, C. Stone, K. H. Zhang, Y. N. Hu, J. Wu, R. Q. Ebert, H. Kortright, J. B. Hellman, F. TI Effect of chemical order on the magnetic and electronic properties of epitaxial off-stoichiometry FexSi1-x thin films SO PHYSICAL REVIEW B LA English DT Article ID ALLOYS; FE3SI AB Off-stoichiometry, epitaxial FexSi1-x thin films (0.5 < x < 1.0) exhibit D0(3) or B2 chemical order, even far from stoichiometry. Theoretical calculations show the magnetic moment is strongly enhanced in the fully chemically disordered A2 phase, while both theoretical and experimental results show that the magnetization is nearly the same in the B2 and D0(3) phases, meaning partial chemical disorder does not influence the magnetism. The dependencies of the magnetic moments are directly and nonlinearly linked to the number of Si atoms, primarily nearest neighbor but also to a lesser extent (up to 10%) next nearest neighbor, surrounding Fe, explaining the similarities between B2 and D0(3) and the strong enhancement for the A2 structure. The calculated electronic density of states shows many similarities in both structure and spin polarization between the D0(3) and B2 structures, while the A2 structure exhibits disorder broadening and a reduced spin polarization. C1 [Karel, J.; Hellman, F.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94709 USA. [Karel, J.; Bordel, C.; Stone, K. H.; Kortright, J. B.; Hellman, F.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Juraszek, J.; Bordel, C.] Univ Rouen, CNRS, UMR6634, Grp Phys Mat, F-76801 St Etienne, France. [Minar, J.; Ebert, H.] Univ Munich, Dept Chem & Biochem, Munich, Germany. Univ W Bohemia, New Technol Res Ctr, Plzen 30614, Czech Republic. [Bordel, C.; Hellman, F.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94709 USA. [Zhang, Y. N.; Hu, J.; Wu, R. Q.] Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA. RP Karel, J (reprint author), Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94709 USA. RI Wu, Ruqian/C-1395-2013; Hu, Jun/H-4311-2012; Karel, Julie/J-5305-2014; Minar, Jan/O-3186-2013; Stone, Kevin/N-9311-2016 OI Wu, Ruqian/0000-0002-6156-7874; Minar, Jan/0000-0001-9735-8479; Stone, Kevin/0000-0003-1387-1510 FU magnetism program at LBNL - U.S. Department of Energy (DOE), Office of Basic Energy Sciences, Division of Materials Sciences and Engineering [DE-AC02-05CH11231]; DOE [DE-FG02-05ER46237]; DFG [FOR 1346]; German ministry BMBF [05K13WMA]; Office of Science, Office of Basic Energy Sciences, of the United States DOE [DE-AC02-05CH11231] FX This research was supported by the magnetism program at LBNL, funded by the U.S. Department of Energy (DOE), Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, under Contract No. DE-AC02-05CH11231 (J.K., C.B., K.H.S., J.B.K., F.H.) and by DOE Grant No. DE-FG02-05ER46237 (Y.N.Z., J.H., R.Q.W.). Calculations were performed on parallel computers at NERSC supercomputer centers. Financial support was also provided by the German funding agencies DFG (FOR 1346) and the German ministry BMBF (05K13WMA) (J.M. and H.E.). The use of the Advanced Light Source (Berkeley, California, USA) was supported by the Director, Office of Science, Office of Basic Energy Sciences, of the United States DOE under Contract No. DE-AC02-05CH11231. We gratefully acknowledge support for x-ray absorption spectroscopy measurements from E. Arenholz and C. Jenkins, and D. J. Smith for transmission electron microscopy measurements. NR 37 TC 3 Z9 3 U1 4 U2 27 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD APR 6 PY 2015 VL 91 IS 14 AR 144402 DI 10.1103/PhysRevB.91.144402 PG 9 WC Physics, Condensed Matter SC Physics GA CE9UI UT WOS:000352188500005 ER PT J AU Yang, ZQ Wang, TP Voisin, N Copping, A AF Yang, Zhaoqing Wang, Taiping Voisin, Nathalie Copping, Andrea TI Estuarine response to river flow and sea-level rise under future climate change and human development SO ESTUARINE COASTAL AND SHELF SCIENCE LA English DT Article DE estuarine hydrodynamics; hydrology; numerical modeling; climate change; land-use/land-cover change; sea-level rise ID SALINITY INTRUSION; CHESAPEAKE BAY; MODEL; HYDROLOGY; IMPACTS; OCEAN AB Understanding the response of river flow and estuarine hydrodynamics to climate change, land-use/land-cover change (LULC), and sea-level rise is essential to managing water resources and stress on living organisms under these changing conditions. This paper presents a modeling study using a watershed hydrology model and an estuarine hydrodynamic model, in a one-way coupling, to investigate the estuarine hydrodynamic response to sea-level rise and change in river flow due to the effect of future climate and LULC changes in the Snohomish River estuary, Washington, USA. A set of hydrodynamic variables, including salinity intrusion points, average water depth, and salinity of the inundated area, were used to quantify the estuarine response to river flow and sea-level rise. Model results suggest that salinity intrusion points in the Snohomish River estuary and the average salinity of the inundated areas are a nonlinear function of river flow, although the average water depth in the inundated area is approximately linear with river flow. Future climate changes will shift salinity intrusion points further upstream under low flow conditions and further downstream under high flow conditions. In contrast, under the future LULC change scenario, the salinity intrusion point will shift downstream under both low and high flow conditions, compared to present conditions. The model results also suggest that the average water depth in the inundated areas increases linearly with sea-level rise but at a slower rate, and the average salinity in the inundated areas increases linearly with sea-level rise; however, the response of salinity intrusion points in the river to sea-level rise is strongly nonlinear. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Yang, Zhaoqing; Wang, Taiping; Voisin, Nathalie; Copping, Andrea] Pacific NW Natl Lab, Seattle, WA 98109 USA. RP Yang, ZQ (reprint author), Pacific NW Natl Lab, 1100 Dexter Ave North,Suite 400, Seattle, WA 98109 USA. OI Voisin, Nathalie/0000-0002-6848-449X FU U.S. Environmental Protection Agency's Puget Sound Science and Technical Studies Assistance Program [DW-89-92333501-6] FX This study was funded by the U.S. Environmental Protection Agency's Puget Sound Science and Technical Studies Assistance Program (DW-89-92333501-6). NR 38 TC 12 Z9 12 U1 2 U2 23 PU ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD PI LONDON PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND SN 0272-7714 EI 1096-0015 J9 ESTUAR COAST SHELF S JI Estuar. Coast. Shelf Sci. PD APR 5 PY 2015 VL 156 SI SI BP 19 EP 30 DI 10.1016/j.ecss.2014.08.015 PG 12 WC Marine & Freshwater Biology; Oceanography SC Marine & Freshwater Biology; Oceanography GA CH6MW UT WOS:000354151700003 ER PT J AU Parham, PE Waldock, J Christophides, GK Hemming, D Agusto, F Evans, KJ Fefferman, N Gaff, H Gumel, A LaDeau, S Lenhart, S Mickens, RE Naumova, EN Ostfeld, RS Ready, PD Thomas, MB Velasco-Hernandez, J Michael, E AF Parham, Paul E. Waldock, Joanna Christophides, George K. Hemming, Deborah Agusto, Folashade Evans, Katherine J. Fefferman, Nina Gaff, Holly Gumel, Abba LaDeau, Shannon Lenhart, Suzanne Mickens, Ronald E. Naumova, Elena N. Ostfeld, Richard S. Ready, Paul D. Thomas, Matthew B. Velasco-Hernandez, Jorge Michael, Edwin TI Climate, environmental and socio-economic change: weighing up the balance in vector-borne disease transmission SO PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY B-BIOLOGICAL SCIENCES LA English DT Review DE climate; climate change; vector-borne diseases; human health; modelling ID WEST-NILE-VIRUS; EAST-AFRICAN HIGHLANDS; EXTRINSIC INCUBATION-TEMPERATURE; FALCIPARUM MALARIA TRANSMISSION; AEDES-AEGYPTI; ANOPHELES-GAMBIAE; POPULATION-DYNAMICS; INFECTIOUS-DISEASES; GLOBAL CHANGE; DENGUE VIRUS AB Arguably one of the most important effects of climate change is the potential impact on human health. While this is likely to take many forms, the implications for future transmission of vector-borne diseases (VBDs), given their ongoing contribution to global disease burden, are both extremely important and highly uncertain. In part, this is owing not only to data limitations and methodological challenges when integrating climate-driven VBD models and climate change projections, but also, perhaps most crucially, to the multitude of epidemiological, ecological and socio-economic factors that drive VBD transmission, and this complexity has generated considerable debate over the past 10-15 years. In this review, we seek to elucidate current knowledge around this topic, identify key themes and uncertainties, evaluate ongoing challenges and open research questions and, crucially, offer some solutions for the field. Although many of these challenges are ubiquitous across multiple VBDs, more specific issues also arise in different vector-pathogen systems. C1 [Parham, Paul E.] Univ Liverpool, Fac Hlth & Life Sci, Dept Publ Hlth & Policy, Liverpool L69 3GL, Merseyside, England. [Parham, Paul E.] Univ London Imperial Coll Sci Technol & Med, Sch Publ Hlth, Dept Infect Dis Epidemiol, Grantham Inst Climate Change,Fac Med, London W2 1PG, England. [Waldock, Joanna] Cyprus Inst, Nicosia, Cyprus. [Waldock, Joanna; Christophides, George K.] Univ London Imperial Coll Sci Technol & Med, London SW7 2AZ, England. [Hemming, Deborah] UK Meteorol Off, Meteorol Off Hadley Ctr, Exeter EX1 3PB, Devon, England. [Agusto, Folashade] Austin Peay State Univ, Dept Math, Clarksville, TN 37044 USA. [Evans, Katherine J.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Fefferman, Nina] Rutgers State Univ, Dept Ecol Evolut & Nat Resources, New Brunswick, NJ 08901 USA. [Gaff, Holly] Old Dominion Univ, Dept Biol Sci, Norfolk, VA 23529 USA. [Gumel, Abba] Arizona State Univ, Simon A Levin Math Computat & Modeling Sci Ctr, Tempe, AZ 85287 USA. [Gumel, Abba] Arizona State Univ, Sch Math & Nat Sci, Phoenix, AZ 85069 USA. [LaDeau, Shannon; Ostfeld, Richard S.] Cary Inst Ecosyst Studies, Millbrook, NY 12545 USA. [Lenhart, Suzanne] Univ Tennessee, Dept Math, Knoxville, TN 37996 USA. [Mickens, Ronald E.] Clark Atlanta Univ, Dept Phys, Atlanta, GA 30314 USA. [Naumova, Elena N.] Tufts Univ, Sch Engn, Dept Civil & Environm Engn, Medford, MA 02155 USA. [Ready, Paul D.] Univ London London Sch Hyg & Trop Med, Fac Infect & Trop Dis, Dept Dis Control, London WC1E 7HT, England. [Thomas, Matthew B.] Penn State Univ, Dept Entomol, University Pk, PA 16802 USA. [Velasco-Hernandez, Jorge] Univ Nacl Autonoma Mexico, Inst Math, Mexico City 04510, DF, Mexico. [Michael, Edwin] Univ Notre Dame, Dept Biol Sci, Notre Dame, IN 46556 USA. RP Parham, PE (reprint author), Univ Liverpool, Fac Hlth & Life Sci, Dept Publ Hlth & Policy, Liverpool L69 3GL, Merseyside, England. EM paul.parham@liverpool.ac.uk RI Velasco-Hernandez, Jorge/A-5391-2008; OI Velasco-Hernandez, Jorge/0000-0002-5604-7719; Christophides, George/0000-0002-3323-1687; LaDeau, Shannon/0000-0003-4825-5435; Fefferman, Nina H./0000-0003-0233-1404; Evans, Katherine/0000-0001-8174-6450 FU Joint UK DECC/Defra Met Office Hadley Centre Climate Programme [GA01101]; National Institute for Mathematical and Biological Synthesis (NIMBioS); National Science Foundation; U.S. Department of Homeland Security; U.S. Department of Agriculture through NSF [EF-0832858]; University of Tennessee, Knoxville; Office of Science of the U.S. Department of Energy [DE-AC05-00OR22725]; Eck Institute for Global Health, University of Notre Dame FX D.H.'s contribution was supported by the Joint UK DECC/Defra Met Office Hadley Centre Climate Programme (GA01101). Some of the authors (P.E.P., F.A., K.J.E., N.F., H.G., A.G., S.L.D., S.L., R.E.M., E.N.N., R.O., P.D.R., M.B.T. and J.V.-H.) are grateful to the National Institute for Mathematical and Biological Synthesis (NIMBioS) for funding the Working Group on 'Climate Change and Vector-borne Diseases'. NIMBioS is an Institute sponsored by the National Science Foundation, the U.S. Department of Homeland Security, and the U.S. Department of Agriculture through NSF Award #EF-0832858, with additional support from The University of Tennessee, Knoxville. Some of this work was performed at the U.S. Department of Homeland Security CCICADA Center at Rutgers University and at Oak Ridge National Laboratory, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC05-00OR22725. E.M. acknowledges the support of the Eck Institute for Global Health, University of Notre Dame for funding to develop a portion of this work. NR 205 TC 22 Z9 23 U1 11 U2 125 PU ROYAL SOC PI LONDON PA 6-9 CARLTON HOUSE TERRACE, LONDON SW1Y 5AG, ENGLAND SN 0962-8436 EI 1471-2970 J9 PHILOS T R SOC B JI Philos. Trans. R. Soc. B-Biol. Sci. PD APR 5 PY 2015 VL 370 IS 1665 AR UNSP 20130551 DI 10.1098/rstb.2013.0551 PG 17 WC Biology SC Life Sciences & Biomedicine - Other Topics GA CD1IY UT WOS:000350829800001 ER PT J AU Carlin, C Gordon, MS AF Carlin, Caleb Gordon, Mark S. TI Ab Initio Calculation of Anion Proton Affinity and Ionization Potential for Energetic Ionic Liquids SO JOURNAL OF COMPUTATIONAL CHEMISTRY LA English DT Article DE ionic liquid; proton affinity; ionization energy; computational methods; coupled cluster; open shell ID CORRELATED MOLECULAR CALCULATIONS; GAUSSIAN-BASIS SETS; PHOTOELECTRON-SPECTROSCOPY; HYDROGEN; DENSITY; BOND; ELECTROLYTES; STABILITY; COMPLEXES; ENERGIES AB Developing a better understanding of the bulk properties of ionic liquids requires accurate measurements of the underlying molecular properties that help to determine the bulk behavior. Two computational methods are used in this work: second-order perturbation theory (MP2) and completely renormalized coupled cluster theory [CR-CC(2,3)], to calculate the proton affinity and ionization potential of a set of anions that are of interest for use in protic, energetic ionic liquids. Compared with experimental values, both methods predict similarly accurate proton affinities, but CR-CC(2,3) predicts significantly more accurate ionization potentials. It is concluded that more time intensive methods like CR-CC(2,3) are required in calculations involving open shell states like the ionization potential. (c) 2015 Wiley Periodicals, Inc. C1 [Carlin, Caleb; Gordon, Mark S.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. [Carlin, Caleb; Gordon, Mark S.] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. RP Carlin, C (reprint author), Iowa State Univ, Dept Chem, Ames, IA 50011 USA. EM mark@si.msg.chem.iastate.edu FU Air Force Office of Scientific Research under AFOSR [FA9550-11-1-0099] FX Contract grant sponsor: Air Force Office of Scientific Research under AFOSR; Contract grant number: FA9550-11-1-0099 NR 52 TC 6 Z9 6 U1 3 U2 41 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0192-8651 EI 1096-987X J9 J COMPUT CHEM JI J. Comput. Chem. PD APR 5 PY 2015 VL 36 IS 9 BP 597 EP 600 DI 10.1002/jcc.23838 PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA CC4GV UT WOS:000350311400002 PM 25619147 ER PT J AU Kanesue, T Okamura, M AF Kanesue, Takeshi Okamura, Masahiro TI Laser ion source activities at Brookhaven National Laboratory SO RADIATION EFFECTS AND DEFECTS IN SOLIDS LA English DT Article DE laser ablation; laser ion source; particle accelerator AB In Brookhaven National Laboratory (BNL), we have been developing laser ion sources for diverse accelerators. Tabletop Nd:YAG lasers with up to several Joules of energy are mainly used to create ablation plasmas for stable operations. The obtained charge states depend on laser power density and target species. Two types of ion extraction schemes, direct plasma injection scheme (DPIS) and conventional static extraction, are used depending on the application. We optimized and selected a suitable laser irradiation condition and a beam extraction scheme to meet the requirement of the following accelerator system. We have demonstrated to accelerate more than 5x10(10) of C6+ ions using the DPIS. We successfully commissioned a low-charge ion beam provider to the user facilities in BNL. To achieve higher current, higher charge state and lower emittance, further studies will continue. C1 [Kanesue, Takeshi; Okamura, Masahiro] Brookhaven Natl Lab, Collider Accelerator Dept, Upton, NY 11973 USA. RP Okamura, M (reprint author), Brookhaven Natl Lab, Collider Accelerator Dept, Upton, NY 11973 USA. EM okamura@bnl.gov FU Brookhaven Science Associates, LLC [DE-AC02-98CH10886]; U.S. Department of Energy; National Aeronautics and Space Administration FX This work has been supported by Brookhaven Science Associates, LLC under Contract No. DE-AC02-98CH10886 with the U.S. Department of Energy, and by the National Aeronautics and Space Administration. NR 8 TC 0 Z9 0 U1 4 U2 6 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1042-0150 EI 1029-4953 J9 RADIAT EFF DEFECT S JI Radiat. Eff. Defects Solids PD APR 3 PY 2015 VL 170 IS 4 SI SI BP 347 EP 354 DI 10.1080/10420150.2015.1036427 PG 8 WC Nuclear Science & Technology; Physics, Fluids & Plasmas; Physics, Condensed Matter SC Nuclear Science & Technology; Physics GA CP3WP UT WOS:000359813800010 ER PT J AU Yu, Q Jiang, YY Wang, J AF Yu, Qin Jiang, Yanyao Wang, Jian TI Tension-compression-tension tertiary twins in coarse-grained polycrystalline pure magnesium at room temperature SO PHILOSOPHICAL MAGAZINE LETTERS LA English DT Article DE polycrystalline pure magnesium; tertiary twin ID 10(1)OVER-BAR2 TWIN; HCP METALS; MG ALLOY; DEFORMATION; DISLOCATIONS; MECHANISMS; DUCTILITY; GROWTH AB Using electron backscatter diffraction, the microstructural features of tension-compression-tension (T-C-T) tertiary twins are studied in coarse-grained pure polycrystalline magnesium subjected to monotonic compression along the extrusion direction in ambient air. T-C-T tertiary twins are developed due to the formation of a compression-tension double twin inside a primary tension twin. All the observed T-C-T twin variants are of TiCjTj type. TiCi+1Ti+1 (or TiCi-1Ti-1) variants are observed more frequently than TiCi+2Ti+2 (or TiCi-2Ti-2) variants. The number of tertiary twin lamellae increases with the applied compressive strain. C1 [Yu, Qin; Jiang, Yanyao] Univ Nevada, Dept Mech Engn, Reno, NV 89557 USA. [Wang, Jian] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. RP Jiang, YY (reprint author), Univ Nevada, Dept Mech Engn, Reno, NV 89557 USA. EM yjiang@unr.edu; wangj6@lanl.gov RI Jiang, Yanyao/H-1816-2012; Wang, Jian/F-2669-2012 OI Jiang, Yanyao/0000-0002-1977-4669; Wang, Jian/0000-0001-5130-300X FU National Science Foundation [1126582]; Office of Basic Energy Sciences, Project FWP under US DOE [06SCPE401, W-7405-ENG-36]; Los Alamos National Laboratory Directed Research and Development ER grant [20140450ER] FX Y. Jiang acknowledges support by the National Science Foundation (1126582). Q.Y. and J.W. were supported by Office of Basic Energy Sciences, Project FWP 06SCPE401, under US DOE Contract No W-7405-ENG-36. J.W. also thanks for support from Los Alamos National Laboratory Directed Research and Development ER grant 20140450ER. NR 24 TC 1 Z9 1 U1 3 U2 14 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0950-0839 EI 1362-3036 J9 PHIL MAG LETT JI Philos. Mag. Lett. PD APR 3 PY 2015 VL 95 IS 4 BP 194 EP 201 DI 10.1080/09500839.2015.1022621 PG 8 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Applied; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA CP3EB UT WOS:000359758900002 ER PT J AU Ziemkiewicz, MP Neumark, DM Gessner, O AF Ziemkiewicz, Michael P. Neumark, Daniel M. Gessner, Oliver TI Ultrafast electronic dynamics in helium nanodroplets SO INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY LA English DT Review DE exciplexes; solvated Rydberg atoms; helium nanodroplets; ultrafast dynamics; superfluid; photoassociation; electronic relaxation ID LIQUID-HELIUM; SUPERFLUID-HELIUM; EXCITED-STATES; EXCESS ELECTRONS; SURFACE-BARRIER; RYDBERG STATES; LARGE DROPLETS; SMALL CLUSTERS; HE DROPLETS; GAS ATOMS AB Helium nanodroplets have emerged as a test bed for the study of isolated quantum liquids and as an ideal matrix for trapping atoms and molecules in a weakly interacting, cryogenic environment. Their high transparency at visible and infrared wavelengths facilitates the study of dissolved species with traditional spectroscopy techniques. At photon energies above ~21eV, however, the droplets themselves begin to absorb to form complex excited states that have proven a challenge for both experiment and theory. A variety of frequency- and time-domain methods have been used to characterise electronically excited droplet states and their relaxation channels. This review focuses on a recent series of time-domain experimental studies that have revealed several phenomena such as interband relaxation dynamics within the droplet environment, and provided deeper insight into previously detected relaxation channels, including the ejection of Rydberg atoms (He*) and molecules ( [GRAPHICS] ), the dynamics of highly excited droplet states, and photoassociation to produce strongly-bound excimer species (such as [GRAPHICS] ). A brief outline of corresponding ab initio efforts for the theoretical description of electronically excited He droplet states and their relaxation dynamics will also be given. C1 [Ziemkiewicz, Michael P.; Neumark, Daniel M.; Gessner, Oliver] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Ultrafast Xray Sci Lab, Berkeley, CA 94720 USA. [Ziemkiewicz, Michael P.; Neumark, Daniel M.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. RP Gessner, O (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Ultrafast Xray Sci Lab, Berkeley, CA 94720 USA. EM ogessner@lbl.gov RI Neumark, Daniel/B-9551-2009 OI Neumark, Daniel/0000-0002-3762-9473 FU U.S. Department of Energy, Office of Basic Energy Sciences, Chemical Sciences, Geosciences and Biosciences Division [DEAC02-05CH11231] FX This work was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Chemical Sciences, Geosciences and Biosciences Division, through Contract No. DEAC02-05CH11231. NR 100 TC 3 Z9 3 U1 8 U2 33 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND SN 0144-235X EI 1366-591X J9 INT REV PHYS CHEM JI Int. Rev. Phys. Chem. PD APR 3 PY 2015 VL 34 IS 2 BP 239 EP 267 DI 10.1080/0144235X.2015.1051353 PG 29 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA CM0JM UT WOS:000357364200001 ER PT J AU Easterling, R AF Easterling, Robert TI Schilling, M., and Doi, J. (2014), "A Coverage Probability Approach to Finding an Optimal Binomial Confidence Procedure," The American Statistician, 68, 133-145: Comment by Easterling and Reply. There's Nothing Wrong With Clopper-Pearson Binomial Confidence Limits SO AMERICAN STATISTICIAN LA English DT Letter C1 [Easterling, Robert] Sandia Natl Labs, Livermore, CA 94550 USA. NR 4 TC 0 Z9 0 U1 0 U2 1 PU AMER STATISTICAL ASSOC PI ALEXANDRIA PA 732 N WASHINGTON ST, ALEXANDRIA, VA 22314-1943 USA SN 0003-1305 EI 1537-2731 J9 AM STAT JI Am. Stat. PD APR 3 PY 2015 VL 69 IS 2 BP 154 EP 155 DI 10.1080/00031305.2015.1019646 PG 2 WC Statistics & Probability SC Mathematics GA CL5TK UT WOS:000357023700014 ER PT J AU Wei, XL Li, B Wang, W AF Wei, Xiaoliang Li, Bin Wang, Wei TI Porous Polymeric Composite Separators for Redox Flow Batteries SO POLYMER REVIEWS LA English DT Review DE redox flow battery, vanadium, porous separator, polymeric composite, capacity fade, pressure regulation ID CATION-EXCHANGE MEMBRANES; RESEARCH-AND-DEVELOPMENT; ENERGY-STORAGE; PHASE-INVERSION; ASYMMETRIC MEMBRANES; MICROPOROUS SEPARATORS; SOLUBLE LEAD(II); PVDF MEMBRANES; VANADIUM; CELL AB Currently, the most commonly used membranes in redox flow batteries (RFB) are ion-exchange membranes. In particular, in all vanadium flow battery systems (VRB), perfluorinated polymers such as Nafion (R) are widely used, owing to their high proton conductivity and chemical stability; however, the extremely high cost of currently available membranes has limited the commercialization of VRB technology. Recently, low-cost porous polymeric composite separators (e.g., polytetrafluoroethylene [PTFE]/silica), as an alternative to traditional ion-exchange membranes, have attracted a great deal of interest because of their significantly lower cost. Porous separators prepared from various polymer materials and inorganic fillers have demonstrated comparable electrochemical performances to that of Nafion (R) in flow battery tests with different redox chemistries. This paper provides a review of porous separators for flow battery applications. In addition to discussions of separator material selection and preparation methods, we also emphasize the electrochemical performance of various flow battery systems, especially the capacity fade mechanism that is closely related to ion-transport across porous separator. C1 [Wei, Xiaoliang; Li, Bin; Wang, Wei] Pacific NW Natl Lab, Richland, WA 99354 USA. RP Wang, W (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99354 USA. EM wei.wang@pnnl.gov RI Wang, Wei/F-4196-2010 OI Wang, Wei/0000-0002-5453-4695 FU U.S. Department of Energy's (DOE's) Office of Electricity Delivery and Energy Reliability (OE) [57558] FX The authors would like to acknowledge financial support by the U.S. Department of Energy's (DOE's) Office of Electricity Delivery and Energy Reliability (OE) (under Contract No. 57558). Pacific Northwest National Laboratory is a multi-program national laboratory operated by Battelle for DOE. NR 91 TC 8 Z9 8 U1 31 U2 128 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA SN 1558-3724 EI 1558-3716 J9 POLYM REV JI Polym. Rev. PD APR 3 PY 2015 VL 55 IS 2 SI SI BP 247 EP 272 DI 10.1080/15583724.2015.1011276 PG 26 WC Polymer Science SC Polymer Science GA CH4YT UT WOS:000354041000003 ER PT J AU Kim, YS Lee, KS AF Kim, Yu Seung Lee, Kwan-Soo TI Fuel Cell Membrane Characterizations SO POLYMER REVIEWS LA English DT Review DE direct methanol fuel cells; alkaline membrane fuel cells; proton exchange membrane fuel cells; characterization; polymer electrolyte; Nafion ID PROTON-EXCHANGE MEMBRANES; POLYMER-ELECTROLYTE MEMBRANES; OPEN-CIRCUIT VOLTAGE; WATER TRANSPORT-PROPERTIES; ETHER SULFONE) COPOLYMERS; AC-IMPEDANCE SPECTROSCOPY; SPIN-RESONANCE SPECTRA; IONOMER THIN-FILM; NAFION MEMBRANES; ELECTROOSMOTIC DRAG AB Polymer electrolyte membranes (PEMs) play a crucial role for use in major polymer-based fuel cell applications. Key PEM properties such as ion conductivity, reactant permeability, and chemical/physical stability are strongly influenced by the chemical structure and processing conditions of PEMs. This paper presents the property measurement techniques of PEMs using stand-alone membranes and membrane electrode assembly (MEA) configurations. PEM properties such as ion exchange capacity, water uptake, ion conductivity, gas/liquid permeability, and chemical/physical stability are discussed with emphasis on measurement techniques. In addition, the measurement techniques for polymer electrolyte in the catalyst layer are briefly discussed. This review may give some insight to polymer scientists when novel PEM materials are designed, prepared, screened, or fine-tuned for advanced fuel cell systems. C1 [Kim, Yu Seung; Lee, Kwan-Soo] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM USA. RP Kim, YS (reprint author), Los Alamos Natl Lab, Mat Phys & Applicat, Mail Stop D429, Los Alamos, NM 87545 USA. EM yskim@lanl.gov OI Lee, Kwan Soo/0000-0002-5315-3487 FU U.S. Department of Energy Fuel Cell Technologies Program; U.S. Department of Energy [DE-AC52-06NA25396] FX The authors at LANL thank the U.S. Department of Energy Fuel Cell Technologies Program (Program Manager: Dr. Nancy Garland) for supporting this work. Los Alamos National Laboratory is operated for the U.S. Department of Energy by Los Alamos National Security LLC under Contract DE-AC52-06NA25396. NR 222 TC 7 Z9 7 U1 15 U2 140 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA SN 1558-3724 EI 1558-3716 J9 POLYM REV JI Polym. Rev. PD APR 3 PY 2015 VL 55 IS 2 SI SI BP 330 EP 370 DI 10.1080/15583724.2015.1011275 PG 41 WC Polymer Science SC Polymer Science GA CH4YT UT WOS:000354041000006 ER PT J AU Haberl, B Guthrie, M Sinogeikin, SV Shen, GY Williams, JS Bradby, JE AF Haberl, Bianca Guthrie, Malcolm Sinogeikin, Stanislav V. Shen, Guoyin Williams, James S. Bradby, Jodie E. TI Thermal evolution of the metastable r8 and bc8 polymorphsofsilicon SO HIGH PRESSURE RESEARCH LA English DT Article DE pressure-induced transitions; silicon; in situ annealing; metastable polymorphs ID HIGH-PRESSURE PHASE; CRYSTAL-STRUCTURE; RAMAN-SCATTERING; SILICON; GERMANIUM; SI; INDENTATION; GE; AMORPHIZATION; TRANSITION AB The kinetics of two metastable polymorphs of silicon under thermal annealing was investigated. These phases with body-centered cubic bc8 and rhombohedral r8 structures can be formed upon pressure release from metallic silicon. In this study, these metastable polymorphs were formed by two different methods, via point loading and in a diamond anvil cell (DAC). Upon thermal annealing different transition pathways were detected. In the point loading case, the previously reported Si-XIII formed and was confirmed as a new phase with an as-yet-unidentified structure. In the DAC case, bc8-Si transformed to the hexagonal-diamond structure at elevated pressure, consistent with previous studies at ambient pressure. In contrast, r8-Si transformed directly to diamond-cubic Si at a temperature of [GRAPHICS] . These data were used to construct diagrams of the metastability regimes of the polymorphs formed in a DAC and may prove useful for potential technological applications of these metastable polymorphs. C1 [Haberl, Bianca; Williams, James S.; Bradby, Jodie E.] Australian Natl Univ, Res Sch Phys & Engn, Dept Elect Mat Engn, Canberra, ACT 0200, Australia. [Guthrie, Malcolm] Carnegie Inst Sci, Geophys Lab, Washington, DC 20015 USA. [Sinogeikin, Stanislav V.; Shen, Guoyin] Carnegie Inst Sci, HPCAT, Geophys Lab, Argonne, IL 60439 USA. RP Haberl, B (reprint author), Oak Ridge Natl Lab, Chem & Engn Mat Div, Oak Ridge, TN 37831 USA. EM bianca.haberl@gmail.com RI Bradby, Jodie/A-8963-2009; Haberl, Bianca/F-9058-2011 OI Bradby, Jodie/0000-0002-9560-8400; Haberl, Bianca/0000-0002-7391-6031 FU Australian Research Council (ARC); ARC Future Fellowship; EFree, an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Basic Energy Sciences [DE-SC0001057]; Alvin M. Weinberg Fellowship (ORNL); Spallation Neutron Source (ORNL) - U.S. Department of Energy, Office of Basic Energy Sciences; DOE-NNSA [DE-NA0001974]; DOE-BES [DE-FG02-99ER45775, DE-AC02-06CH11357]; NSF [EAR-1128799]; DOE [DE-FG02-94ER14466] FX This work was supported by funding from the Australian Research Council (ARC). JEB is supported by an ARC Future Fellowship. Work by MG was fully supported by EFree, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences under Award No. DE-SC0001057. BH acknowledges current funding through an Alvin M. Weinberg Fellowship (ORNL) and the Spallation Neutron Source (ORNL), sponsored by the U.S. Department of Energy, Office of Basic Energy Sciences. HPCAT operations are supported by DOE-NNSA under Award No. DE-NA0001974 and DOE-BES under Award No. DE-FG02-99ER45775, with partial instrumentation funding by NSF. Use of the COMPRES-GSECARS gas loading system was supported by COMPRES under NSF Cooperative Agreement EAR 11-57758 and by GSECARS through NSF grant EAR-1128799 and DOE grant DE-FG02-94ER14466. APS is supported by DOE-BES, under Contract No. DE-AC02-06CH11357. NR 52 TC 9 Z9 9 U1 3 U2 28 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND SN 0895-7959 EI 1477-2299 J9 HIGH PRESSURE RES JI High Pressure Res. PD APR 3 PY 2015 VL 35 IS 2 BP 99 EP 116 DI 10.1080/08957959.2014.1003555 PG 18 WC Physics, Multidisciplinary SC Physics GA CG7SB UT WOS:000353504100001 ER PT J AU Hamada, MS Hemphill, GM Hackenberg, RE AF Hamada, M. S. Hemphill, G. M. Hackenberg, R. E. TI Combined Analysis of Accelerated Fixed Stress Lab and Varying Stress Field Data SO Quality Engineering LA English DT Article DE step stress acceleration; prediction interval; cumulative damage; Bayesian inference AB This article performs a combined analysis of lab and field data. The lab data are obtained by testing the specimens at high but fixed temperatures. The specimens in the field are subjected to a varying temperature profile. We use an accelerated aging model for the lab data and a cumulative damage version of this model for the field data. A Bayesian analysis provides the necessary quantities to compute prediction intervals for specimens in the field for many years into the future. C1 [Hamada, M. S.; Hemphill, G. M.] Los Alamos Natl Lab, Stat Sci Grp, Los Alamos, NM 87545 USA. [Hackenberg, R. E.] Los Alamos Natl Lab, Mat Technol Met Grp, Los Alamos, NM 87545 USA. RP Hamada, MS (reprint author), Los Alamos Natl Lab, Stat Sci Grp, Mail Stop F600, Los Alamos, NM 87545 USA. EM hamada@lanl.gov OI Hackenberg, Robert/0000-0002-0380-5723 NR 8 TC 0 Z9 0 U1 1 U2 2 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA SN 0898-2112 EI 1532-4222 J9 QUAL ENG JI Qual. Eng. PD APR 3 PY 2015 VL 27 IS 2 BP 139 EP 143 DI 10.1080/08982112.2014.920508 PG 5 WC Engineering, Industrial; Statistics & Probability SC Engineering; Mathematics GA CG7TI UT WOS:000353507600001 ER PT J AU Picard, RR Hamada, MS Hemphill, GM Hackenberg, RE AF Picard, R. R. Hamada, M. S. Hemphill, G. M. Hackenberg, R. E. TI Accounting for Nonrandomly Sampled Data in Nonlinear Regression SO Quality Engineering LA English DT Article DE ranked set sampling; mixture distribution; Bayesian inference; ranking error; order statistics ID PHASE-CHANGE; KINETICS AB We analyze data that are "cherry picked" (i.e., nonrandomly sampled) from a population and are then used for regression modeling and prediction. Nonrandom data are encountered in numerous situations, and the application of standard statistical methods developed for random samples can easily lead to incorrect conclusions. A case study is presented to illustrate the related issues, as well as the repercussions of erroneously ignoring the nonrandom sampling. C1 [Picard, R. R.; Hamada, M. S.; Hemphill, G. M.] Los Alamos Natl Lab, Stat Sci Grp, Los Alamos, NM 87545 USA. [Hackenberg, R. E.] Los Alamos Natl Lab, Mat Technol Met Grp, Los Alamos, NM 87545 USA. RP Hamada, MS (reprint author), Los Alamos Natl Lab, Stat Sci Grp, Mail Stop F600, Los Alamos, NM 87545 USA. EM hamada@lanl.gov OI Hackenberg, Robert/0000-0002-0380-5723 NR 19 TC 0 Z9 0 U1 0 U2 3 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA SN 0898-2112 EI 1532-4222 J9 QUAL ENG JI Qual. Eng. PD APR 3 PY 2015 VL 27 IS 2 BP 168 EP 176 DI 10.1080/08982112.2014.933979 PG 9 WC Engineering, Industrial; Statistics & Probability SC Engineering; Mathematics GA CG7TI UT WOS:000353507600004 ER PT J AU Diamond, MI Cai, SR Boudreau, A Carey, CJ Lyle, N Pappu, RV Swamidass, SJ Bissell, M Piwnica-Worms, H Shao, J AF Diamond, Marc I. Cai, Shirong Boudreau, Aaron Carey, Clifton J., Jr. Lyle, Nicholas Pappu, Rohit V. Swamidass, S. Joshua Bissell, Mina Piwnica-Worms, Helen Shao, Jieya TI Subcellular Localization and Ser-137 Phosphorylation Regulate Tumor-suppressive Activity of Profilin-1 SO JOURNAL OF BIOLOGICAL CHEMISTRY LA English DT Article ID BREAST-CANCER CELLS; NUCLEAR ACTIN; PANCREATIC-CANCER; IN-VITRO; APOPTOSIS; PROLIFERATION; TRANSCRIPTION; EXPRESSION; CARCINOMA; TUMORIGENICITY AB The actin-binding protein profilin-1 (Pfn1) inhibits tumor growth and yet is also required for cell proliferation and survival, an apparent paradox. We previously identified Ser-137 of Pfn1 as a phosphorylation site within the poly-L-proline (PLP) binding pocket. Here we confirm that Ser-137 phosphorylation disrupts Pfn1 binding to its PLP-containing ligands with little effect on actin binding. We find in mouse xenografts of breast cancer cells that mimicking Ser-137 phosphorylation abolishes cell cycle arrest and apoptotic sensitization by Pfn1 and confers a growth advantage to tumors. This indicates a previously unrecognized role of PLP binding in Pfn1 antitumor effects. Spatial restriction of Pfn1 to the nucleus or cytoplasm indicates that inhibition of tumor cell growth by Pfn1 requires its nuclear localization, and this activity is abolished by a phosphomimetic mutation on Ser-137. In contrast, cytoplasmic Pfn1 lacks inhibitory effects on tumor cell growth but rescues morphological and proliferative defects of PFN1 null mouse chondrocytes. These results help reconcile seemingly opposed cellular effects of Pfn1, provide new insights into the antitumor mechanism of Pfn1, and implicate Ser-137 phosphorylation as a potential therapeutic target for breast cancer. C1 [Diamond, Marc I.] Univ Texas SW Med Ctr Dallas, Ctr Alzheimers & Neurodegenerat Dis, Dallas, TX 75390 USA. [Cai, Shirong; Piwnica-Worms, Helen] Washington Univ, Dept Cell Biol & Physiol, Sch Med, St Louis, MO 63110 USA. [Cai, Shirong; Piwnica-Worms, Helen] Univ Texas MD Anderson Canc Ctr, Dept Canc Biol, Houston, TX 77230 USA. [Boudreau, Aaron] Univ Calif San Francisco, Helen Diller Family Comprehens Canc Ctr, Dept Lab Med, San Francisco, CA 94143 USA. [Carey, Clifton J., Jr.; Swamidass, S. Joshua] Washington Univ, Sch Med, Dept Pathol & Immunol, Div Lab & Genom Med, St Louis, MO 63110 USA. [Lyle, Nicholas; Pappu, Rohit V.] Washington Univ, Dept Biomed Engn, St Louis, MO 63130 USA. [Bissell, Mina] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. [Shao, Jieya] Washington Univ, Sch Med, Dept Internal Med, Breast Oncol Program,Div Oncol, St Louis, MO 63110 USA. RP Shao, J (reprint author), Washington Univ, Sch Med, Dept Internal Med, Breast Oncol Program,Div Oncol, 660 S Euclid Ave,Campus Box 8069, St Louis, MO 63110 USA. EM jshao1@dom.wustl.edu RI Piwnica-Worms, Helen/C-5214-2012 FU Neuroscience Blueprint Core National Institutes of Health [P30 NS057105]; National Institutes of Health Grant NCI Cancer Center Support Grant [P30 CA91842]; National Institutes of Health [P50 CA94056]; P30 Neuroscience Blueprint Interdisciplinary Center [P30 NS057105]; Children's Discovery Institute FX We thank Dr. Byron Hann for the MDA-MB-231 cell line stably expressing the tri-modal reporter fusion, Dr. Ralph T Bottcher and Dr. Reinhard Fassler for providing the PFN1 null chondrocytes, Dr. Eric Campeau for the pLenti-CMV/TO-Neo-DEST (685-3) destination vector, Dr. Sofia Origanti for scientific advice, Dr. Mingjie Li and Nada Husic for assisting in lentiviral production, Dr. William Eades for assistance with flow cytometry and analysis, Gary London and Dr. Kris Hyrc for assistance with confocal and whole-slide imaging, and Dr. Dyche Mullins and Dr. Brad Zuchero for the PLP-conjugated Sepharose beads. The Hope Center Viral Vectors Core is supported by Neuroscience Blueprint Core National Institutes of Health Grant P30 NS057105 (to Washington University). The Siteman Cancer Center is supported in part by National Institutes of Health Grant NCI Cancer Center Support Grant P30 CA91842. The Molecular Imaging Center is supported in part by National Institutes of Health P50 CA94056 (to Washington University). The Hope Center Alafi Neuroimaging Core is supported by a P30 Neuroscience Blueprint Interdisciplinary Center Core award to Washington University (P30 NS057105). The RNAi consortium at the Genome Institute of Washington University is supported by the Children's Discovery Institute. NR 42 TC 2 Z9 2 U1 1 U2 1 PU AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA SN 0021-9258 EI 1083-351X J9 J BIOL CHEM JI J. Biol. Chem. PD APR 3 PY 2015 VL 290 IS 14 BP 9075 EP 9086 DI 10.1074/jbc.M114.619874 PG 12 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA CF0BI UT WOS:000352207100031 PM 25681442 ER PT J AU Jiang, CL Stefanini, AM Esbensen, H Rehm, KE Almaraz-Calderon, S Avila, ML Back, BB Bourgin, D Corradi, L Courtin, S Fioretto, E Galtarossa, F Goasduff, A Haas, F Mazzocco, MM Montanari, D Montagnoli, G Mijatovic, T Sagaidak, R Santiago-Gonzalez, D Scarlassara, F Strano, EE Szilner, S AF Jiang, C. L. Stefanini, A. M. Esbensen, H. Rehm, K. E. Almaraz-Calderon, S. Avila, M. L. Back, B. B. Bourgin, D. Corradi, L. Courtin, S. Fioretto, E. Galtarossa, F. Goasduff, A. Haas, F. Mazzocco, M. M. Montanari, D. Montagnoli, G. Mijatovic, T. Sagaidak, R. Santiago-Gonzalez, D. Scarlassara, F. Strano, E. E. Szilner, S. TI Fusion reactions of Ni-58,Ni-64+Sn-124 SO PHYSICAL REVIEW C LA English DT Article ID HEAVY-ION FUSION; SUBBARRIER ENERGIES; CROSS-SECTIONS; NEAR-BARRIER; HINDRANCE; CHANNELS; FISSION; SYSTEM; NI+SN AB Measurements of fusion excitation functions of Ni-58 + Sn-124 and Ni-64 + Sn-124 are extended towards lower energy to cross sections of 1 mu b and are compared to detailed coupled-channels calculations. The calculations clearly show the importance of including transfer reactions in a coupled-channels treatment for such heavy systems. This result is different from the conclusion made in a previous article which claimed that the influence of transfer on fusion is not important for fusion reactions of Ni + Sn. In the energy region studied in this experiment no indication of fusion hindrance has been observed, which is consistent with a systematic study of this behavior. C1 [Jiang, C. L.; Esbensen, H.; Rehm, K. E.; Almaraz-Calderon, S.; Avila, M. L.; Back, B. B.; Santiago-Gonzalez, D.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. [Stefanini, A. M.; Corradi, L.; Fioretto, E.; Galtarossa, F.] Ist Nazl Fis Nucl, Lab Nazl Legnaro, I-35020 Legnaro, Padova, Italy. [Bourgin, D.; Courtin, S.; Haas, F.; Montanari, D.] IPHC, F-67037 Strasbourg 2, France. [Bourgin, D.; Courtin, S.; Haas, F.; Montanari, D.] Univ Strasbourg, IN2P3, CNRS, F-67037 Strasbourg 2, France. [Goasduff, A.] IN2P3, CNRS, CSNSM, F-91405 Orsay, France. [Goasduff, A.] Univ Paris 11, F-91405 Orsay, France. [Mazzocco, M. M.; Montagnoli, G.; Scarlassara, F.; Strano, E. E.] Univ Padua, Dipartimento Fis & Astron, IT-35131 Padua, Italy. [Mazzocco, M. M.; Montagnoli, G.; Scarlassara, F.; Strano, E. E.] INFN, Sez Padova, IT-35131 Padua, Italy. [Mijatovic, T.; Szilner, S.] Rudjer Boskovic Inst, HR-10002 Zagreb, Croatia. [Sagaidak, R.] Joint Inst Nucl Res, RU-141980 Dubna, Russia. [Santiago-Gonzalez, D.] Louisiana State Univ, Dept Phys & Astron, Baton Rouge, LA 70803 USA. RP Jiang, CL (reprint author), Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. EM jiang@phy.anl.gov RI Goasduff, Alain/F-1749-2016 OI Goasduff, Alain/0000-0003-3453-3297 FU US Department of Energy, Office of Science, Office of Nuclear Physics [DE-AC02-06CH11357]; European Union Seventh Framework Programme FP7 [262010-ENSAR]; P210 Excellence Laboratory FX We want to thank the staff of the XTU Tandem for providing the excellent high-energy 58Ni and 64Ni beams. This work was supported by the US Department of Energy, Office of Science, Office of Nuclear Physics, under Contract No. DE-AC02-06CH11357, and the European Union Seventh Framework Programme FP7/2007-2013 under Grant No. 262010-ENSAR. A.G. was partially supported by the P210 Excellence Laboratory. NR 46 TC 8 Z9 8 U1 0 U2 9 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9985 EI 2469-9993 J9 PHYS REV C JI Phys. Rev. C PD APR 3 PY 2015 VL 91 IS 4 AR 044602 DI 10.1103/PhysRevC.91.044602 PG 7 WC Physics, Nuclear SC Physics GA CE8WQ UT WOS:000352125200001 ER PT J AU Cholis, I Hooper, D Linden, T AF Cholis, Ilias Hooper, Dan Linden, Tim TI A critical reevaluation of radio constraints on annihilating dark matter SO PHYSICAL REVIEW D LA English DT Article ID SAGITTARIUS-A-ASTERISK; MASSIVE BLACK-HOLE; GAMMA-RAY SOURCE; CENTRAL 0.5 PC; GALACTIC-CENTER; STELLAR POPULATIONS; PULSAR POPULATION; DISCOVERY; MAGNETAR; NUCLEUS AB A number of groups have employed radio observations of the Galactic center to derive stringent constraints on the annihilation cross section of weakly interacting dark matter. In this paper, we show that electron energy losses in this region are likely to be dominated by inverse Compton scattering on the interstellar radiation field, rather than by synchrotron, considerably relaxing the constraints on the dark matter annihilation cross section compared to previous works. Strong convective winds, which are well motivated by recent observations, may also significantly weaken synchrotron constraints. After taking these factors into account, we find that radio constraints on annihilating dark matter are orders of magnitude less stringent than previously reported, and are generally weaker than those derived from current gamma-ray observations. C1 [Cholis, Ilias; Hooper, Dan] Fermilab Natl Accelerator Lab, Ctr Particle Astrophys, Batavia, IL 60510 USA. [Hooper, Dan] Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. [Linden, Tim] Univ Chicago, Kavli Inst Cosmol Phys, Chicago, IL 60637 USA. RP Cholis, I (reprint author), Fermilab Natl Accelerator Lab, Ctr Particle Astrophys, Batavia, IL 60510 USA. OI Cholis, Ilias/0000-0002-3805-6478 FU U.S. Department of Energy; National Aeronautics and Space Administration [PF3-140110] FX We thank an anonymous referee and Farhad Yusef-Zadeh for comments concerning the application of the limits from [28] to this paper. This work has been supported by the U.S. Department of Energy. T. L. is supported by the National Aeronautics and Space Administration through Einstein Postdoctoral Fellowship Award No. PF3-140110. NR 38 TC 13 Z9 13 U1 0 U2 0 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2470-0010 EI 2470-0029 J9 PHYS REV D JI Phys. Rev. D PD APR 3 PY 2015 VL 91 IS 8 AR 083507 DI 10.1103/PhysRevD.91.083507 PG 6 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA CE8WU UT WOS:000352125600003 ER PT J AU Moroni, GF Estrada, J Paolini, EE Cancelo, G Tiffenberg, J Molina, J AF Fernandez Moroni, Guillermo Estrada, Juan Paolini, Eduardo E. Cancelo, Gustavo Tiffenberg, Javier Molina, Jorge TI Charge coupled devices for detection of coherent neutrino-nucleus scattering SO PHYSICAL REVIEW D LA English DT Article ID HIGH-RESISTIVITY SILICON; NOBEL LECTURE; CCD; SEARCH; NOISE AB In this article the feasibility of using charge coupled devices (CCD) to detect low-energy neutrinos through their coherent scattering with nuclei is analyzed. The detection of neutrinos through this standard model process has been elusive because of the small energy deposited in such interaction. Typical particle detectors have thresholds of a few keV, and most of the energy deposition expected from coherent scattering is well below this level. The CCD detectors discussed in this paper can operate at a threshold of approximately 30 eV, making them ideal for observing this signal. On a CCD array of 500 g located next to a power nuclear reactor the number of coherent scattering events expected is about 3000 events/year. Our results shows that a detection with a confidence level of 99% can be reached within 16 days of continuous operation; with the current 52 g detector prototype this time lapse extends to five months. C1 [Fernandez Moroni, Guillermo] Consejo Nacl Invest Cient & Tecn, RA-1033 Buenos Aires, DF, Argentina. [Fernandez Moroni, Guillermo; Paolini, Eduardo E.] Univ Nacl Sur, RA-8000 Bahia Blanca, Buenos Aires, Argentina. [Fernandez Moroni, Guillermo; Estrada, Juan; Cancelo, Gustavo; Tiffenberg, Javier] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Paolini, Eduardo E.] Comis Invest Cient Prov Buenos Aires, RA-1900 La Plata, Buenos Aires, Argentina. [Molina, Jorge] Univ Nacl Asuncion, Asuncion 2160, Paraguay. RP Moroni, GF (reprint author), Consejo Nacl Invest Cient & Tecn, C1033AAJ, RA-1033 Buenos Aires, DF, Argentina. FU Fermi National Accelerator Laboratory, Consejo Nacional de Investigaciones Cientificas y Tecnicas, Universidad Nacional del Sur; Comision de Investigaciones Cientificas Provincia Buenos Aires FX The authors wish to thank Dr. Tom Ferbel, University of Rochester, for his review of an early draft and his many suggestions, and the financial support from Fermi National Accelerator Laboratory, Consejo Nacional de Investigaciones Cientificas y Tecnicas, Universidad Nacional del Sur and Comision de Investigaciones Cientificas Provincia Buenos Aires. NR 32 TC 5 Z9 5 U1 0 U2 1 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 EI 1550-2368 J9 PHYS REV D JI Phys. Rev. D PD APR 3 PY 2015 VL 91 IS 7 AR 072001 DI 10.1103/PhysRevD.91.072001 PG 9 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA CE8WR UT WOS:000352125300001 ER PT J AU Pitschmann, M Seng, CY Roberts, CD Schmidt, SM AF Pitschmann, Mario Seng, Chien-Yeah Roberts, Craig D. Schmidt, Sebastian M. TI Nucleon tensor charges and electric dipole moments SO PHYSICAL REVIEW D LA English DT Article ID GENERALIZED PARTON DISTRIBUTIONS; VIRTUAL COMPTON-SCATTERING; QUARK-DIQUARK MODEL; SYMMETRY-BREAKING; SPIN STRUCTURE; CONTINUUM-QCD; JEFFERSON LAB; FORM-FACTORS; HADRONS; PHYSICS AB A symmetry-preserving Dyson-Schwinger equation treatment of a vector-vector contact interaction is used to compute dressed-quark-core contributions to the nucleon sigma-term and tensor charges. The latter enable one to directly determine the effect of dressed-quark electric dipole moments (EDMs) on neutron and proton EDMs. The presence of strong scalar and axial-vector diquark correlations within ground-state baryons is a prediction of this approach. These correlations are active participants in all scattering events and thereby modify the contribution of the singly represented valence quark relative to that of the doubly represented quark. Regarding the proton sigma-term and that part of the proton mass which owes to explicit chiral symmetry breaking, with a realistic d-u mass splitting, the singly represented d quark contributes 37% more than the doubly represented u quark; and in connection with the proton's tensor charges, delta(T)u, delta(T)d, the ratio delta(T)d/delta(T)u is 18% larger than anticipated from simple quark models. Of particular note, the size of delta(T)d is a sensitive measure of the strength of dynamical chiral symmetry breaking; and dTd measures the amount of axial-vector diquark correlation within the proton, vanishing if such correlations are absent. C1 [Pitschmann, Mario] Tech Univ Wien, Atominst, A-1020 Vienna, Austria. [Seng, Chien-Yeah] Univ Massachusetts, Amherst Ctr Fundamental Interact, Dept Phys, Amherst, MA 01003 USA. [Roberts, Craig D.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. [Schmidt, Sebastian M.] Forschungszentrum Julich, Inst Adv Simulat, D-52425 Julich, Germany. [Schmidt, Sebastian M.] JARA, D-52425 Julich, Germany. RP Pitschmann, M (reprint author), Tech Univ Wien, Atominst, Stadionallee 2, A-1020 Vienna, Austria. FU Austrian "Fonds zur Frderung der Wissenschaftlichen Forschung"(FWF) [I689-N16]; U.S. Department of Energy, Office of Science, Office of Nuclear Physics [DE-SC0011095, DE-AC02-06CH11357]; Forschungszentrum Julich Gmbh FX We thank Jian-ping Chen, Ian Cloet, Haiyan Gao, Michael Ramsey-Musolf, Jorge Segovia, Ross Young, and Shu-sheng Xu for insightful comments. C. D. R. acknowledges support of an International Fellow Award from the Helmholtz Association. Work otherwise supported by Austrian "Fonds zur Frderung der Wissenschaftlichen Forschung"(FWF) under Contract No. I689-N16; U.S. Department of Energy, Office of Science, Office of Nuclear Physics, under Contracts No. DE-SC0011095 and No. DE-AC02- 06CH11357; and Forschungszentrum Julich GmbH. NR 111 TC 11 Z9 11 U1 2 U2 5 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2470-0010 EI 2470-0029 J9 PHYS REV D JI Phys. Rev. D PD APR 3 PY 2015 VL 91 IS 7 AR 074004 DI 10.1103/PhysRevD.91.074004 PG 22 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA CE8WR UT WOS:000352125300004 ER PT J AU Weiland, C Sterbinsky, GE Rumaiz, AK Hellberg, CS Woicik, JC Zhu, SB Schlom, DG AF Weiland, Conan Sterbinsky, George E. Rumaiz, Abdul K. Hellberg, C. Stephen Woicik, Joseph C. Zhu, Shaobo Schlom, Darrell G. TI Stoichiometry dependence of potential screening at La(1-delta) Al(1+delta)O3/SrTiO3 interfaces SO PHYSICAL REVIEW B LA English DT Article ID ANGULAR-DISTRIBUTION PARAMETERS; RAY PHOTOELECTRON-SPECTROSCOPY; AUGMENTED-WAVE METHOD; RANGE 100-5000 EV; OXIDE INTERFACES; CONDUCTIVITY; MECHANISM; SURFACES; SPECTRA AB Hard x-ray photoelectron spectroscopy (HAXPES) and variable kinetic energy x-ray photoelectron spectroscopy (VKE-XPS) analyses have been performed on ten-unit-cell-thick La(1-delta)Al(1+delta)O3 films, with La: Al ratios of 1.1, 1.0, and 0.9, deposited on SrTiO3. Only Al-rich films are known to have a conductive interface. VKE-XPS, coupled with maximum entropy analysis, shows significant differences in the compositional depth profile among the Al-rich, La-rich, and stoichiometric films: significant La enrichment at the interface is observed in the La-rich and stoichiometric films, while the Al-rich film shows little to no intermixing. Additionally, the La-rich and stoichiometric films show a high concentration of Al at the surface, which is not observed in the Al-rich film. HAXPES valence band (VB) analysis shows a broadening of the VB for the Al-rich sample relative to the stoichiometric and La-rich samples. This broadening is consistent with an electric field across the Al-rich film. These results are consistent with a defect-driven electronic reconstruction. C1 [Weiland, Conan; Woicik, Joseph C.] NIST, Gaithersburg, MD 20899 USA. [Sterbinsky, George E.; Rumaiz, Abdul K.] Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. [Hellberg, C. Stephen] Naval Res Lab, Ctr Computat Mat Sci, Washington, DC 20375 USA. [Zhu, Shaobo; Schlom, Darrell G.] Cornell Univ, Dept Mat Sci & Engn, Ithaca, NY 14853 USA. [Schlom, Darrell G.] Cornell Univ, Kavli Inst Nanoscale Sci, Ithaca, NY 14853 USA. RP Weiland, C (reprint author), NIST, Gaithersburg, MD 20899 USA. EM rumaiz@bnl.gov RI Weiland, Conan/K-4840-2012 FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-98CH10886]; Office of Naval Research through the Naval Research Laboratory; AFOSR [FA6550-10-1-0524] FX Use of the National Synchrotron Light Source, Brookhaven National Laboratory, was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. The authors would like to thank Dr. Scott Chambers at Pacific Northwest National Laboratory for useful discussions. C.H. acknowledges support from the Office of Naval Research through the Naval Research Laboratory's Basic Research Program. Computations were performed at the AFRL and ERDC DoD Major Shared Resource Centers. Work at Cornell was supported by the AFOSR under Grant No. FA6550-10-1-0524. NR 38 TC 2 Z9 2 U1 1 U2 22 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD APR 3 PY 2015 VL 91 IS 16 AR 165103 DI 10.1103/PhysRevB.91.165103 PG 9 WC Physics, Condensed Matter SC Physics GA CE8WP UT WOS:000352125100001 ER PT J AU Battaile, CC Emery, JM Brewer, LN Boyce, BL AF Battaile, Corbett C. Emery, John M. Brewer, Luke N. Boyce, Brad L. TI Crystal plasticity simulations of microstructure-induced uncertainty in strain concentration near voids in brass SO PHILOSOPHICAL MAGAZINE LA English DT Article DE microstructure; texture; plastic deformation; finite element analysis; defects ID DEFORMATION AB The uncertainty in mechanical response near a cylindrical hole in polycrystalline alpha brass was simulated as a function of variations in the crystallographic orientations of the grains near the hole. A total of 4 hole sizes were examined, including the case of a microstructure without a hole, and 45 simulations were performed for each case (yielding 180 simulations total) to acquire statistical data. For a hole larger than the grain size, the deformation resembles the homogenous solution but with perturbations due to the local microstructural environment. For a hole approximately equal to or smaller than the grain size, the deformation deviates substantially from the continuum behaviour, and depends strongly on the local microstructural environment surrounding the hole. Each population of simulations was analysed statistically to determine the effect of micro structural variability on strain localization near each of the four defect sizes. The coefficient of variation in the maximum plastic strain around microstructure-scale holes is about 37%, and the largest values of plastic strain are about twice those in the absence of microstructure. These results have significant implications for analyses of the margin of failure due to defects of this class (e.g. voids or small bolt holes). C1 [Battaile, Corbett C.; Emery, John M.; Boyce, Brad L.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Brewer, Luke N.] Naval Postgrad Sch, Monterey, CA 93943 USA. RP Battaile, CC (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM ccbatta@sandia.gov OI Emery, John /0000-0001-6671-4952 FU US Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors wish to thank Bonnie B McKenzie and Joel P McDonald for their valuable contributions to this work. Sandia National Laboratories is a multi-programme laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the US Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 10 TC 2 Z9 2 U1 0 U2 10 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1478-6435 EI 1478-6443 J9 PHILOS MAG JI Philos. Mag. PD APR 3 PY 2015 VL 95 IS 10 BP 1069 EP 1079 DI 10.1080/14786435.2015.1009958 PG 11 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Applied; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA CE7YW UT WOS:000352058900003 ER PT J AU Hamada, MS Mitchell, BL Necker, CT AF Hamada, M. S. Mitchell, B. L. Necker, C. T. TI On uncertainty of a proportion from a stratified random sample of a small population SO JOURNAL OF APPLIED STATISTICS LA English DT Article DE frequentist; hypergeometric distribution; variance; Clopper-Pearson; simultaneousinference; upper confidence bound; Bayesian ID CONFIDENCE AB This article considers the uncertainty of a proportion based on a stratified random sample of a small population. Using the hypergeometric distribution, a Clopper-Pearson type upper confidence bound is presented. Another frequentist approach that uses the estimated variance of the proportion estimator is also considered as well as a Bayesian alternative. These methods are demonstrated with an illustrative example. Some aspects of planning, that is, the impact of specified strata sample sizes, on uncertainty are studied through a simulation study. C1 [Hamada, M. S.; Mitchell, B. L.; Necker, C. T.] Los Alamos Natl Lab, Los Alamos, NM USA. RP Hamada, MS (reprint author), Los Alamos Natl Lab, Los Alamos, NM USA. EM hamada@lanl.gov FU US Department of Energy [DE-AC52-06NA25396] FX This material is published by permission of the Los Alamos National Laboratory, operated by Los Alamos National Security LLC for the US Department of Energy under Contract No. DE-AC52-06NA25396. The US Government retains for itself, and others acting on its behalf, a paid-up, non-exclusive, and irrevocable worldwide license in said article to reproduce, prepare derivative works, distribute copies to the public, and perform publicly and display publicly, by or on behalf of the Government. NR 5 TC 0 Z9 0 U1 0 U2 5 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0266-4763 EI 1360-0532 J9 J APPL STAT JI J. Appl. Stat. PD APR 3 PY 2015 VL 42 IS 4 BP 828 EP 833 DI 10.1080/02664763.2014.987651 PG 6 WC Statistics & Probability SC Mathematics GA CA2YM UT WOS:000348772000002 ER PT J AU Lampimaki, M Schreiber, S Zelenay, V Krepelova, A Birrer, M Axnanda, S Mao, BH Liu, Z Bluhm, H Ammann, M AF Lampimaeki, Markus Schreiber, Sepp Zelenay, Veronika Krepelova, Adela Birrer, Mario Axnanda, Stephanus Mao, Baohua Liu, Zhi Bluhm, Hendrik Ammann, Markus TI Exploring the Environmental Photochemistry on the TiO2(110) Surface in Situ by Near Ambient Pressure X-ray Photoelectron Spectroscopy SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID ATMOSPHERIC CHEMISTRY; OXIDE SURFACES; UV-IRRADIATION; PHOTOCATALYTIC ACTIVITY; LABORATORY PROXIES; ADSORBED NITRATE; TIO2 SURFACES; MINERAL DUST; NITROUS-ACID; WATER AB Heterogeneous reactions of nitrogen oxides on metal oxide surfaces have been suggested to play a significant role in environmental chemistry, physics, and engineering. Many of the metal oxide compounds found among atmospheric mineral dust particles are inherently semiconducting substrates. Due to their low band gap, they are effective photoactive materials in the environmentally relevant ultraviolet (UVA) range of solar radiation. Here, we have studied nitrogen oxide species evolution and photochemistry on TiO2(110) surfaces in the context of atmospheric chemistry by means of near ambient pressure X-ray photoelectron spectroscopy (AP-XPS) coupled with a 375 nm UV-laser module. In the presence of molecular O-2 only, changes in TiO2 surface potential under UV irradiation were observed, attributed to band flattening. Under humid conditions, a significant increase in the BE range attributed to surface hydroxyl groups was observed, which may be the basis for the light-induced superhydrophilicity observed elsewhere with titania-based nanomaterials. The formation of surface nitrite and nitrate was observed after exposure to NO2 in the dark. Core-level metal cation, O, and N XPS spectra were measured at elevated pressures of O-2, NO2, and H2O. By selective UV irradiation of only the XPS measurement spot on the sample, we obtained differential information on the surface chemical state on the UV-irradiated compared to dark reference spots. Upon UV irradiation, increased oxidation of NO2 was observed, while in turn a substantial increase of a reduced nitrate species possibly from electron transfer to nitrate and of a further reduced nitrogen species was observed during exposure to UV-radiation. The effect of surface hydroxylation and the involvement of carbon-containing surface compounds in the formation of nitrogenated organic species are emphasized. C1 [Lampimaeki, Markus; Schreiber, Sepp; Zelenay, Veronika; Krepelova, Adela; Birrer, Mario; Ammann, Markus] Paul Scherrer Inst, Lab Radiochem & Environm Chem, CH-5232 Villigen, Switzerland. [Axnanda, Stephanus; Mao, Baohua; Liu, Zhi] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Bluhm, Hendrik] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Ammann, M (reprint author), Paul Scherrer Inst, Lab Radiochem & Environm Chem, CH-5232 Villigen, Switzerland. EM markus.ammann@psi.ch RI Liu, Zhi/B-3642-2009; Ammann, Markus/E-4576-2011; OI Liu, Zhi/0000-0002-8973-6561; Ammann, Markus/0000-0001-5922-9000; Lampimaki, Markus/0000-0003-1990-6155 FU Swiss National Science Foundation [130175, 149492]; U.S. Department of Energy at Lawrence Berkeley National Laboratory [DE-AC02-05CH11231]; Division of Chemical Sciences, Geosciences, and Biosciences of the U.S. Department of Energy at Lawrence Berkeley National Laboratory [DE-AC02-05CH11231]; National Natural Science Foundation of China [11227902] FX This work was supported by the Swiss National Science Foundation (grants no. 130175 and 149492) (M.L. and M.A.). The Advanced Light Source and beamline 9.3.2 are supported by the Director, Office of Science, Office of Basic Energy Sciences of the U.S. Department of Energy at Lawrence Berkeley National Laboratory under Contract No. DE-AC02-05CH11231. H.B. acknowledges support from the Division of Chemical Sciences, Geosciences, and Biosciences of the U.S. Department of Energy at Lawrence Berkeley National Laboratory under Contract No. DE-AC02-05CH11231. B.H.M. is partially supported by National Natural Science Foundation of China (grant no. 11227902). NR 65 TC 7 Z9 7 U1 12 U2 67 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD APR 2 PY 2015 VL 119 IS 13 BP 7076 EP 7085 DI 10.1021/jp511340n PG 10 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA CF1SZ UT WOS:000352329500017 ER PT J AU Feng, XF Wu, J Bell, AT Salmeron, M AF Feng, Xiaofeng Wu, Jason Bell, Alexis T. Salmeron, Miguel TI An Atomic-Scale View of the Nucleation and Growth of Graphene Islands on Pt Surfaces SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID SCANNING-TUNNELING-MICROSCOPY; CHEMICAL-VAPOR-DEPOSITION; EPITAXIAL GRAPHENE; CARBON CLUSTERS; METAL-SURFACES; LARGE-AREA; PT(111); FILMS; EDGE; GRAPHITE AB We study the nucleation and growth of epitaxial graphene on Pt(111) surfaces at the atomic level using scanning tunneling microscopy (STM). Graphene nucleation occurs both near Pt step edges and on Pt terraces, producing hexagonally shaped islands with atomically sharp zigzag edges. Graphene interacts strongly with Pt substrate during growth, by etching and replacement of Pt atoms from step edges, which results in faceting of the Pt steps. The favorable lattice orientations of graphene islands are found to be parallel to those of the Pt substrate, but other orientations are still possible. Grain boundaries are formed when two graphene islands merge with different lattice orientations. Improved growth conditions such as smaller nucleation density and higher growth rate can produce high-quality graphene film with larger grain sizes. C1 [Feng, Xiaofeng; Salmeron, Miguel] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Feng, Xiaofeng; Salmeron, Miguel] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Wu, Jason; Bell, Alexis T.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. RP Salmeron, M (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM mbsalmeron@lbl.gov RI Feng, Xiaofeng/D-2978-2012; OI Feng, Xiaofeng/0000-0002-9473-2848; Bell, Alexis/0000-0002-5738-4645 FU Office of Basic Energy Sciences, Division of Materials Sciences and Engineering of the U.S. DOE [DE-AC02-05CH11231] FX This work was supported by the Office of Basic Energy Sciences, Division of Materials Sciences and Engineering of the U.S. DOE, under Contract No. DE-AC02-05CH11231. NR 47 TC 6 Z9 6 U1 9 U2 53 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD APR 2 PY 2015 VL 119 IS 13 BP 7124 EP 7129 DI 10.1021/jp512163n PG 6 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA CF1SZ UT WOS:000352329500022 ER PT J AU Sung, W Wang, W Lee, J Vaknin, D Kim, D AF Sung, Woongmo Wang, Wenjie Lee, Jonggwan Vaknin, David Kim, Doseok TI Specificity and Variation of Length Scale over Which Monovalent Halide Ions Neutralize a Charged Interface SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID AIR-WATER-INTERFACE; FREQUENCY VIBRATIONAL SPECTROSCOPY; LANGMUIR MONOLAYERS; GENERATION SPECTROSCOPY; AIR/WATER INTERFACE; SURFACE-TENSION; ACID; ANIONS; ELECTROLYTES; TEMPERATURE AB We report on halide ion (Cl-, Br-, I-) adsorption from the subphase water to a cationic Langmuir monolayer consisting of 1,2-dipalmitoyl-3-trimethylammonium-propane (DPTAP) molecules at the air/water interface. Reductions in the water OH signal of sum-frequency spectra and the surface pressure of the pA isotherm follow the order of the anion size, indicating preferable adsorption of the larger anions to better screen the surface charge of the DPTAP monolayer. Complementary X-ray fluorescence measurements of DPTAP on Cl- and I- reveal that the integrated number of adsorbed ions within the probing depth (6-8 nm) is the same for both ions. Incorporating the above outcomes leads to the contrasting adsorption structures that the larger halide anions (I-) are directly adsorbed to the headgroup strata, while the Cl- ions form a more diffusive distribution contiguous to the monolayer. Our study shows that the length scale over which ions neutralize a charged interface varies significantly and specifically even for monovalent ions. C1 [Sung, Woongmo; Lee, Jonggwan; Kim, Doseok] Sogang Univ, Dept Phys, Seoul 121742, South Korea. [Wang, Wenjie; Vaknin, David] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. [Wang, Wenjie; Vaknin, David] Iowa State Univ, Dept Phys, Ames, IA 50011 USA. RP Kim, D (reprint author), Sogang Univ, Dept Phys, Seoul 121742, South Korea. EM doseok@sogang.ac.kr FU National Research Foundation [2011-0017435]; Sogang University [201419008.01]; U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering [DE-AC02-07CH11358] FX This research is supported by the National Research Foundation Grant No. 2011-0017435 and Sogang University Research Grant of 2014 (201419008.01). Research at Ames Laboratory is supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, under Contract DE-AC02-07CH11358. NR 46 TC 3 Z9 3 U1 1 U2 13 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD APR 2 PY 2015 VL 119 IS 13 BP 7130 EP 7137 DI 10.1021/jp512233g PG 8 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA CF1SZ UT WOS:000352329500023 ER PT J AU Klaus, S Cai, Y Louie, MW Trotochaud, L Bell, AT AF Klaus, Shannon Cai, Yun Louie, Mary W. Trotochaud, Lena Bell, Alexis T. TI Effects of Fe Electrolyte Impurities on Ni(OH)(2)/NiOOH Structure and Oxygen Evolution Activity SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID NICKEL-OXIDE ELECTRODES; ALKALINE WATER ELECTROLYSIS; SITU RAMAN-SPECTROSCOPY; ELECTROCHEMICAL EVOLUTION; HYDROXIDE ELECTRODES; OXIDATION CATALYSIS; FILM ELECTRODES; IRON; ELECTROCATALYSTS; BEHAVIOR AB Ni-(oxy)hydroxide-based materials are promising earth-abundant catalysts for electrochemical water oxidation in basic media. Recent findings demonstrate that incorporation of trace Fe impurities from commonly used KOH electrolytes significantly improves oxygen evolution reaction (OER) activity over NiOOH electrocatalysts. Because nearly all previous studies detailing structural differences between alpha-Ni(OH)(2)/gamma-NiOOH and beta-Ni(OH)(2)/beta-NiOOH were completed in unpurified electrolytes, it is unclear whether these structural changes are unique to the aging phase transition in the Ni-(oxy)hydroxide matrix or if they arise fully or in part from inadvertent Fe incorporation. Here, we report an investigation of the effects of Fe incorporation on structureactivity relationships in Ni-(oxy)hydroxide. Electrochemical, in situ Raman, X-ray photoelectron spectroscopy, and electrochemical quartz crystal microbalance measurements were employed to investigate Ni(OH)(2) thin films aged in Fe-free and unpurified (reagent-grade) 1 M KOH (<1 ppm Fe). We find that Ni films aged in unpurified electrolyte can incorporate >= 20% Fe after 5 weeks of aging, and the maximum catalyst activity is comparable to that reported for optimized Ni1-xFexOOH catalysts. Conversely, Fe-free Ni(OH)(2) films exhibit a substantially lower activity and higher Tafel slope for the OER. Films aged in Fe-free electrolyte are predominantly disordered beta-Ni(OH)(2)/beta-NiOOH if maintained below 0.7 V vs Hg/HgO in 1 M KOH and will overcharge to form a mixture of gamma- and beta-NiOOH above this potential. Fe-containing Ni(OH)(2) films evidence a lesser extent of beta-Ni(OH)(2) formation and instead exhibit NiOOH structural changes in accordance with the formation of a Ni-Fe-layered double hydroxide phase. Furthermore, turnover frequency calculations indicate that Fe is the active site within this phase, and above similar to 11% Fe content, a separate, Fe-rich phase forms. These findings are the first to demonstrate the in situ changes in the catalyst structure resulting from the incorporation of Fe electrolyte impurities within Ni-(oxy)hydroxide, providing direct evidence that a NiFe layered double (oxy)hydroxide (LDH) phase is critical for high OER activity. C1 [Bell, Alexis T.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Joint Ctr Artificial Photosynth, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. RP Bell, AT (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Joint Ctr Artificial Photosynth, Berkeley, CA 94720 USA. EM bell@cchem.berkeley.edu FU Office of Science of the U.S. Department of Energy [DE-SC0004993] FX This material is based upon work performed by the Joint, Center for Artificial Photosynthesis, a DOE Energy Innovation Hub, supported through the Office of Science of the U.S. Department of Energy under Award No. DE-SC0004993. The authors gratefully acknowledge Eric Granlund (University of California, Berkeley, College of Chemistry) for Raman electrochemical cell fabrication, as well as James Wu and Doug Jamieson (Lawrence Berkeley National Laboratory, Materials Science Division) for RDE fabrication. The authors also thank Elena Kreimer (University of California, Berkeley, College of Chemistry) for assistance with elemental analysis training, as well as Jason Cooper and Ian Sharp (Joint Center for Artificial Photsynthesis) for XPS assistance. NR 51 TC 75 Z9 76 U1 67 U2 300 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD APR 2 PY 2015 VL 119 IS 13 BP 7243 EP 7254 DI 10.1021/acs.jpcc.5b00105 PG 12 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA CF1SZ UT WOS:000352329500035 ER PT J AU Wu, ZL Mann, AKP Li, MJ Overbury, SH AF Wu, Zili Mann, Amanda K. P. Li, Meijun Overbury, Steven H. TI Spectroscopic Investigation of Surface-Dependent Acid Base Property of Ceria Nanoshapes SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID TRANSFORM INFRARED-SPECTROSCOPY; TEMPERATURE CO OXIDATION; ADSORBED PROBE MOLECULES; CEO2 NANOCRYSTALS; ROOM-TEMPERATURE; OXIDE CATALYSTS; METAL-OXIDES; SELECTIVE DEHYDRATION; ELECTRONIC-STRUCTURE; AU/SIO2 CATALYST AB In addition to their well-known redox character, the acidbase property is another interesting aspect of ceria-based catalysts. Herein, the effect of surface structure on the acidbase property of ceria was studied in detail by utilizing ceria nanocrystals with different morphologies (cubes, octahedra, and rods) that exhibit crystallographically well-defined surface facets. The nature, type, strength, and amount of acid and base sites on these ceria nanoshapes were investigated via in situ IR spectroscopy combined with various probe molecules. Pyridine adsorption shows the presence of Lewis acid sites (Ce cations) on the ceria nanoshapes. These Lewis acid sites are relatively weak and similar in strength among the three nanoshapes according to the probing by both pyridine and acetonitrile. Two types of basic sites, hydroxyl groups and surface lattice oxygen are present on the ceria nanoshapes, as probed by CO2 adsorption. CO2 and chloroform adsorption indicate that the strength and amount of the Lewis base sites are shape dependent: rods > cubes > octahedra. The weak and strong surface dependence of the acid and base sites, respectively, are a result of interplay between the surface structure dependent coordination unsaturation status of the Ce cations and O anions and the amount of defect sites on the three ceria nanoshapes. Furthermore, it was found that the nature of the acidbase sites of ceria can be impacted by impurities, such as Na and P residues that result from their use as structure-directing reagent in the hydrothermal synthesis of the ceria nanocrystals. This observation calls for precaution in interpreting the catalytic behavior of nanoshaped ceria where trace impurities may be present. C1 [Wu, Zili; Mann, Amanda K. P.; Li, Meijun; Overbury, Steven H.] Oak Ridge Natl Lab, Chem Sci Div, Oak Ridge, TN 37831 USA. [Wu, Zili; Overbury, Steven H.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Wu, ZL (reprint author), Oak Ridge Natl Lab, Chem Sci Div, Oak Ridge, TN 37831 USA. EM wuz1@ornl.gov RI Wu, Zili/F-5905-2012; Overbury, Steven/C-5108-2016 OI Wu, Zili/0000-0002-4468-3240; Overbury, Steven/0000-0002-5137-3961 FU U.S. Department of Energy, Office of Science, Chemical Sciences, Geosciences, and Biosciences Division; UT-Battelle, LLC [DE-AC05-00OR22725]; U.S. Department of Energy; Department of Energy FX The work was supported by the U.S. Department of Energy, Office of Science, Chemical Sciences, Geosciences, and Biosciences Division. Part of the work including the DRIFTS study was conducted at the Center for Nanophase Materials Sciences, which is a DOE Office of Science User Facility. We are grateful for Dr. David Mullins for providing the structure models of the three ceria surfaces presented in Figure 1. Notice: This manuscript has been authored by UT-Battelle, LLC under Contract No. DE-AC05-00OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a nonexclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. The Department of Energy will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan (http://energy.gov/downloads/doe-public-access-plan). NR 68 TC 16 Z9 16 U1 19 U2 101 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD APR 2 PY 2015 VL 119 IS 13 BP 7340 EP 7350 DI 10.1021/acs.jpcc.5b00859 PG 11 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA CF1SZ UT WOS:000352329500044 ER PT J AU Lynch, J Giannini, C Cooper, JK Loiudice, A Sharp, ID Buonsanti, R AF Lynch, Jared Giannini, Cinzia Cooper, Jason K. Loiudice, Anna Sharp, Ian D. Buonsanti, Raffaella TI Substitutional or Interstitial Site-Selective Nitrogen Doping in TiO2 Nanostructures SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID DOPED TITANIUM-DIOXIDE; CDS/ZNS CORE/SHELL NANOCRYSTALS; RAY PHOTOELECTRON-SPECTROSCOPY; VISIBLE-LIGHT PHOTOCATALYSIS; TUNABLE INFRARED-ABSORPTION; SEMICONDUCTOR NANOCRYSTALS; WATER OXIDATION; OXIDE NANOCRYSTALS; ANATASE; SURFACE AB Herein, we report a colloidal wet-chemical approach enabling control on dopant concentration and location in a nanocrystal host lattice. Growth-doping and nucleation-doping, driven by primary and tertiary amines, respectively, were identified as predominant doping mechanisms responsible for the introduction of nitrogen impurities in interstitial and substitutional sites in highly branched rutile TiO2 nanostructures. High-resolution X-ray photoelectron spectroscopy was used to distinguish the two nitrogen occupational lattice sites and, in combination with UVvis absorption spectroscopy, to investigate the impact of the nitrogen impurities on the optoelectronic properties. The implementation of the nitrogen-doped titania nanostructures in photoelectrodes for water oxidation suggests that these atomically defined building blocks can function as a platform to investigate the impact of the nitrogen occupational sites on the photocatalytic properties. By deliberately choosing precursors and reaction conditions, instead of relying on the most common high temperature annealing of preformed metal oxide in ammonia, we emphasize the importance of understanding the chemistry behind doping to achieve an unprecedented level of control on effective dopant introduction and, therefore, property tunability. C1 [Lynch, Jared; Cooper, Jason K.; Loiudice, Anna; Sharp, Ian D.; Buonsanti, Raffaella] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint Ctr Artificial Photosynth, Berkeley, CA 94720 USA. [Lynch, Jared; Cooper, Jason K.; Loiudice, Anna; Buonsanti, Raffaella] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Giannini, Cinzia] Natl Res Council Italy, Ist Crystallog, I-70126 Bari, Italy. [Sharp, Ian D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Buonsanti, R (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint Ctr Artificial Photosynth, Berkeley, CA 94720 USA. EM rbuonsanti@lbl.gov RI Sharp, Ian/I-6163-2015; Foundry, Molecular/G-9968-2014 OI Sharp, Ian/0000-0001-5238-7487; FU Office of Science of the U.S. Department of Energy [DE-SC0004993]; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH1123] FX This material is based upon work performed by the Joint Center for Artificial Photosynthesis, a DOE Energy Innovation Hub, supported through the Office of Science of the U.S. Department of Energy under Award Number DE-SC0004993. We thank Dr. S. Aloni for his assistance in the high resolution TEM measurements performed under the Molecular Foundry user program and Dr. L. Trotochaud and Dr. F. Toma for useful discussions. Work at the Molecular Foundry was supported by the Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract No. DE-AC02-05CH1123. NR 72 TC 14 Z9 14 U1 8 U2 53 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD APR 2 PY 2015 VL 119 IS 13 BP 7443 EP 7452 DI 10.1021/jp512775s PG 10 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA CF1SZ UT WOS:000352329500054 ER PT J AU Dau, PD Gibson, JK AF Dau, Phuong D. Gibson, John K. TI Halide Abstraction from Halogenated Acetate Ligands by Actinyls: A Competition between Bond Breaking and Bond Making SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID PHASE COORDINATION-COMPLEXES; GAS-PHASE; ELECTRONIC-STRUCTURE; FLUORIDE COMPLEXES; AQUEOUS-SOLUTIONS; CRYSTAL-STRUCTURE; URANYL; PLUTONYL; DISSOCIATION; CHEMISTRY AB Transfer of halogen atoms from halogenated acetate ligands, CX3CO2 (X = F, Cl, Br), to actinyls, AnO(2)(2+) (An = U, Np, Pu) is stimulated by collision-induced dissociation (CID) in a quadrupole ion trap. CID of [AnO(2)(CF3CO2)(3)](-) complexes results exclusively in F atom transfer, concomitant with elimination of CF2CO2, to produce [(CF3CO2)(2)AnO(2)F](-), [(CF3CO2)AnO(2)F(2)](-), and [AnO(2)F(3)](-). This contrasts with CID of transition metal fluoroacetates for which CO2-elimination to produce organometallics is an important pathway, a disparity that can be attributed to the differing bond dissociation energies (BDEs) of the created metalcarbon and metal-fluorine bonds. The dominant pathway for CID of [AnO(2)(CF3CO2)(CCl3CO2)-(CBr3CO2)](-) is Br-atom transfer to produce [(CF3CO2)(CCl3CO2)AnO(2)Br](-). The preferential formation of bromides, despite that the BDEs of An-F bonds are substantially greater than those of An-Br bonds, is attributed to the offsetting effect of higher BDEs for C-F versus C-Br bonds. The results for the trihaloacetates are similar for uranyl, neptunyl and plutonyl, indicating that for all three the An-X bond dissociation energies are sufficiently high that X atom transfer is overwhelmingly dominant. CID of [UO2(CH2XCO2)(2)(CX3CO2)](-) (X = F, Cl, Br) resulted in F-transfer only from CH2XCO2, but Cl- and Br-transfer from both CH2XCO2 and CX3CO2, a manifestation of the characteristic increase in BDE[C-F] in CHx-nFn species as n increases; the overall thermochemistry determines the observed CID processes, providing clear distinctions between fluorides and chlorides/bromides. The results of this work reveal the propensity of the actinides to form strong bonds with halogens, and suggest that there is not a large variation in actinyl-halogen BDEs between uranyl, neptunyl, and plutonyl. C1 [Dau, Phuong D.; Gibson, John K.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Gibson, JK (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. EM jkgibson@lbl.gov FU U.S. Department of Energy, Office of Basic Energy Sciences, Heavy Element Chemistry Program, at LBNL [DE-AC02-05CH11231] FX This work was fully supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Heavy Element Chemistry Program, at LBNL under Contract No. DE-AC02-05CH11231. NR 60 TC 2 Z9 2 U1 4 U2 22 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD APR 2 PY 2015 VL 119 IS 13 BP 3218 EP 3224 DI 10.1021/acs.jpca.5b00952 PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA CF1TU UT WOS:000352331600008 PM 25766197 ER PT J AU Attah, IK Platt, SP Meot-Ner, M El-Shall, MS Peverati, R Head-Gordon, M AF Attah, Isaac K. Platt, Sean P. Meot-Ner (Mautner), Michael El-Shall, M. Samy Peverati, Roberto Head-Gordon, Martin TI What Is the Structure of the Naphthalene-Benzene Heterodimer Radical Cation? Binding Energy, Charge De localization, and Unexpected Charge-Transfer Interaction in Stacked Dimer and Trimer Radical Cations SO JOURNAL OF PHYSICAL CHEMISTRY LETTERS LA English DT Article ID PHOTODISSOCIATION SPECTROSCOPY; GAS-PHASE; DENSITY FUNCTIONALS; TRANSFER COMPLEXES; BONDING ENERGIES; EXCITED-STATES; CLUSTER IONS; PI-SYSTEMS; DELOCALIZATION; ASSOCIATION AB The binding energy of the naphthalene(+center dot)(benzene) heterodimer cation has been determined to be 7.9 +/- 1 kcal/mol for C10H8+center dot(C6H6) and 8.1 +/- 1 kcal/mol for C10H8+center dot(C6D6) by equilibrium thermochemical measurements using the mass-selected drift cell technique. A second benzene molecule binds to the C10H8+center dot(C6D6) dimer with essentially the same energy (8.4 +/- 1 kcal/mol), suggesting that the two benzene molecules are stacked on opposite sides of the naphthalene cation in the (C6D6)C10H8+center dot(C6D6) heterotrimer. The lowest-energy isomers of the C10H8+center dot(C6D6) and (C6D6)C10H8+center dot(C6D6) dimer and trimer calculated using the M11/cc-pVTZ method have parallel stacked structures with enthalpies of binding (-Delta H degrees) of 8.4 and 9.0 kcal/mol, respectively, in excellent agreement with the experimental values. The stacked face-to-face class of isomers is calculated to have substantial charge-transfer stabilization of about 45% of the total interaction energy despite the large difference between the ionization energies of benzene and naphthalene. Similarly, significant delocalization of the positive charge is found among all three fragments of the (C6D6)C10H8+center dot(C6D6) heterotrimer, thus leaving only 46% of the total charge on the central naphthalene moiety. This unexpectedly high charge-transfer component results in activating two benzene molecules in the naphthalene(+center dot)(benzene)(2) heterotrimer cation to associate with a third benzene molecule at 219 K to form a benzene trimer cation and a neutral naphthalene molecule. The global minimum of the C10H8+center dot(C6H6)(2) heterotrimer is found to be the one where the naphthalene cation is sandwiched between two benzene molecules. It is remarkable, and rather unusual, that the binding energy of the second benzene molecule is essentially the same as that of the first. This is attributed to the enhanced charge-transfer interaction in the stacked trimer radical cation. C1 [Attah, Isaac K.; Platt, Sean P.; Meot-Ner (Mautner), Michael; El-Shall, M. Samy] Virginia Commonwealth Univ, Dept Chem, Richmond, VA 23284 USA. [Peverati, Roberto; Head-Gordon, Martin] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Peverati, Roberto; Head-Gordon, Martin] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP El-Shall, MS (reprint author), Virginia Commonwealth Univ, Dept Chem, Box 2006, Richmond, VA 23284 USA. EM mselshal@vcu.edu; mhg@cchem.berkeley.edu RI El-Shall, M. Samy/K-8954-2012; Attah, Isaac/A-3872-2016; OI El-Shall, M. Samy/0000-0002-1013-4948; Peverati, Roberto/0000-0001-7774-9923 FU National Science Foundation [CHE-0911146, CHE-1363342] FX This work was supported by the National Science Foundation through Grant CHE-0911146 (VCU) and Grant CHE-1363342 (UCB). NR 44 TC 7 Z9 7 U1 3 U2 32 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1948-7185 J9 J PHYS CHEM LETT JI J. Phys. Chem. Lett. PD APR 2 PY 2015 VL 6 IS 7 BP 1111 EP 1118 DI 10.1021/jz502438x PG 8 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Atomic, Molecular & Chemical SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CF1TS UT WOS:000352331400003 PM 26262958 ER PT J AU Ayache, M Lux, SF Kostecki, R AF Ayache, Maurice Lux, Simon Franz Kostecki, Robert TI IR Near-Field Study of the Solid Electrolyte Interphase on a Tin Electrode SO JOURNAL OF PHYSICAL CHEMISTRY LETTERS LA English DT Article ID FILM; SPECTROSCOPY; MICROSCOPY; ABSORPTION; BATTERIES; CARBONATE; ANODE AB There has been a dearth of suitable techniques for studying the chemical composition of solid electrolyte interphase (SEI) on Li-ion negative electrodes at a resolution of its basic building blocks' length scale. Infrared apertureless near-field scanning optical microscopy (IR aNSOM) is an emerging tool in the chemical characterization of interfacial layers on the nanometer scale. This work demonstrates an IR aNSOM imaging of the SEI layer on a model Sn electrode. IR aNSOM images reveal significant chemical contrast variations tied to specific topographic features and possible corresponding distribution of lithium carbonate and lithium ethylene dicarbonate on the Sn electrode surface. C1 [Ayache, Maurice; Lux, Simon Franz; Kostecki, Robert] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Energy Storage & Distributed Resources Div, Berkeley, CA 94720 USA. RP Kostecki, R (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Energy Storage & Distributed Resources Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM r_kostecki@lbl.gov FU Office of Vehicle Technologies of the U.S. Department of Energy under Advanced Battery Materials Research (BMR) Program [DE-AC02-05CH11231] FX This work was supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies of the U.S. Department of Energy under contract no. DE-AC02-05CH11231 under the Advanced Battery Materials Research (BMR) Program. NR 21 TC 3 Z9 3 U1 5 U2 29 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1948-7185 J9 J PHYS CHEM LETT JI J. Phys. Chem. Lett. PD APR 2 PY 2015 VL 6 IS 7 BP 1126 EP 1129 DI 10.1021/acs.jpclett.5b00263 PG 4 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Atomic, Molecular & Chemical SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CF1TS UT WOS:000352331400005 PM 26262960 ER PT J AU Allendorf, MD Foster, ME Leonard, F Stavila, V Feng, PL Doty, FP Leong, K Ma, EY Johnston, SR Talin, AA AF Allendorf, Mark D. Foster, Michael E. Leonard, Francois Stavila, Vitalie Feng, Patrick L. Doty, F. Patrick Leong, Kirsty Ma, Eric Yue Johnston, Scott R. Talin, A. Alec TI Guest-Induced Emergent Properties in Metal-Organic Frameworks SO JOURNAL OF PHYSICAL CHEMISTRY LETTERS LA English DT Article ID COPPER ACETATE MONOHYDRATE; CHARGE-TRANSFER; ELECTRON-TRANSFER; COORDINATION POLYMERS; ENERGY-TRANSFER; MIXED-VALENCY; THIN-FILM; PORE-SIZE; TRANSITION; CONDUCTIVITY AB Metal-organic frameworks (MOFs) are crystalline nanoporous materials comprised of organic electron donors linked to metal ions by strong coordination bonds. Applications such as gas storage and separations are currently receiving considerable attention, but if the unique properties of MOFs could be extended to electronics, magnetics, and photonics, the impact on material science would greatly increase. Recently, we obtained "emergent properties," such as electronic conductivity and energy transfer, by infiltrating MOF pores with "guest molecules that interact with the framework electronic structure. In this Perspective, we define a path to emergent properties based on the Guest@MOF concept, using zinc-carboxylate and copper-paddlewheel MOFs for illustration. Energy transfer and light harvesting are discussed for zinc carboxylate frameworks infiltrated with triplet scavenging organometallic compounds and thiophene- and fullerene-infiltrated MOF-177. In addition, we discuss the mechanism of charge transport in TCNQ:infiltrated HKUST-1, the first MOF with electrical conductivity approaching conducting organic polymers. These examples show that guest molecules in MOF pores should be considered not merely as impurities or analytes to be sensed but also as an important aspect of rational design. C1 [Allendorf, Mark D.; Foster, Michael E.; Leonard, Francois; Stavila, Vitalie; Feng, Patrick L.; Doty, F. Patrick; Leong, Kirsty; Talin, A. Alec] Sandia Natl Labs, Livermore, CA 94551 USA. [Ma, Eric Yue; Johnston, Scott R.] Stanford Univ, Dept Appl Phys, Stanford, CA 94305 USA. RP Allendorf, MD (reprint author), Sandia Natl Labs, Livermore, CA 94551 USA. EM mdallen@sandia.gov OI Ma, Eric Yue/0000-0002-0539-1501; Johnston, Scott/0000-0002-8055-311X FU Sandia Laboratory Directed Research and Development (LDRD) Program; U.S. Department of Energy SunShot Initiative [DE-FOA-0000990-1634]; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was supported by the Sandia Laboratory Directed Research and Development (LDRD) Program and the U.S. Department of Energy SunShot Initiative under award number DE-FOA-0000990-1634. Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 81 TC 27 Z9 27 U1 25 U2 147 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1948-7185 J9 J PHYS CHEM LETT JI J. Phys. Chem. Lett. PD APR 2 PY 2015 VL 6 IS 7 BP 1182 EP 1195 DI 10.1021/jz5026883 PG 14 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Atomic, Molecular & Chemical SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CF1TS UT WOS:000352331400015 PM 26262970 ER PT J AU Kumara, C Gagnon, KJ Dass, A AF Kumara, Chanaka Gagnon, Kevin J. Dass, Amala TI X-ray Crystal Structure of Au38-xAgx(SCH2CH2Ph)(24) Alloy Nanomolecules SO JOURNAL OF PHYSICAL CHEMISTRY LETTERS LA English DT Article ID THIOLATE-PROTECTED AU-38; ELECTRONIC-STRUCTURE; LIGAND-EXCHANGE; THEORETICAL-ANALYSIS; CIRCULAR-DICHROISM; GOLD NANOCLUSTERS; MASS-SPECTROMETRY; CLUSTER COMPOUNDS; QUANTUM CLUSTERS; METAL-CLUSTERS AB Herein, we report the X-ray crystallographic structure of a 38-metal atom Au-Ag alloy nanomoleafle. The structure of monometallic Au-38(SR)(24) consists of 2 central Au atoms and 21 Au atoms forming a bi-icosahedral core protected by 6 dimeric and 3 monomeric units. In Au38-xAgx(SR)(24),where x ranges from 1 to S, the silver atoms are selectively incorporated into the Aun bi-icosahedral core. Within the Au-21 core, the silver atoms preferentially occupy nine selected locations: (a) the two vertex edges, three atoms on each edge and six atoms total, and (b) the middle face-shared three-atom ring, adding to a total of nine locations. X-ray crystallography yielded a composition of Au34.04Ag3.96(SCH2CH2Ph)(24). The crystal structure of the alloy nanomolecule can be described in terms of shells as Au-2@Au17.04Ag3.(96)@ 6X [SR-Au-SR-Au-SR] 3X [SR-Au-SR-]. C1 [Kumara, Chanaka; Dass, Amala] Univ Mississippi, Dept Chem & Biochem, Oxford, MS 38677 USA. [Gagnon, Kevin J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Dass, A (reprint author), Univ Mississippi, Dept Chem & Biochem, 322 Coulter Hall, Oxford, MS 38677 USA. EM amal@olemiss.edu FU NSF [CHE-1255519]; Office of Science, Office of Basic Energy Sciences of the U.S. Department of Energy [DE-AC02-05CH11231] FX C.K. and A.D. acknowledge support from NSF CHE-1255519. We thank Christine Aikens for helpful discussions, Henry Valle for assistance with crystal screening, Rangana Warshamanage for guidance on initial crystallization setups, and the SCrALS for preliminary crystallographic data. 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. CCDC number is 1038715. NR 37 TC 22 Z9 22 U1 6 U2 39 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1948-7185 J9 J PHYS CHEM LETT JI J. Phys. Chem. Lett. PD APR 2 PY 2015 VL 6 IS 7 BP 1223 EP 1228 DI 10.1021/acs.jpclett.5b00270 PG 6 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Atomic, Molecular & Chemical SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CF1TS UT WOS:000352331400021 PM 26262976 ER PT J AU Ismail, A Schwienhorst, R Virzi, JS Walker, DGE AF Ismail, Ahmed Schwienhorst, Reinhard Virzi, Joseph S. Walker, Devin G. E. TI Deconstructed transverse mass variables SO PHYSICAL REVIEW D LA English DT Article ID ELECTROWEAK SYMMETRY-BREAKING; STANDARD MODEL; PP COLLISIONS; ATLAS DETECTOR; QUARK; SEARCH; SUPERSYMMETRY; CONDENSATION; HIERARCHY; DYNAMICS AB Traditional searches for R-parity conserving natural supersymmetry (SUSY) require large transverse mass and missing energy cuts to separate the signal from large backgrounds. SUSY models with compressed spectra inherently produce signal events with small amounts of missing energy that are hard to explore. We use this difficulty to motivate the construction of "deconstructed" transverse mass variables which are designed preserve information on both the norm and direction of the missing momentum. We demonstrate the effectiveness of these variables in searches for the pair production of supersymmetric top-quark partners which subsequently decay into a final state with an isolated lepton, jets and missing energy. We show that the use of deconstructed transverse mass variables extends the accessible compressed spectra parameter space beyond the region probed by traditional methods. The parameter space can further be expanded to neutralino masses that are larger than the difference between the stop and top masses. In addition, we also discuss how these variables allow for novel searches of single stop production, in order to directly probe unconstrained stealth stops in the small stop-and neutralino-mass regime. We also demonstrate the utility of these variables for generic gluino and stop searches in all-hadronic final states. Overall, we demonstrate that deconstructed transverse variables are essential to any search wanting to maximize signal separation from the background when the signal has undetected particles in the final state. C1 [Ismail, Ahmed] Argonne Natl Lab, Argonne, IL 60439 USA. [Ismail, Ahmed; Walker, Devin G. E.] SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA. [Ismail, Ahmed] Univ Illinois, Chicago, IL 60607 USA. [Schwienhorst, Reinhard] Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA. [Virzi, Joseph S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Phys, Berkeley, CA 94720 USA. RP Ismail, A (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. FU Department of Energy [DE-AC02-06CH11357, DE-AC02-76SF00515, DE-FG02-12ER41811]; United States National Science Foundation [PHY-0952729]; Ford Foundation via the National Academies of the Sciences; National Science Foundation [NSF-PHY-0705682]; LHC Theory Initiative FX We thank S. Chivukula, L. Dixon, H.-C. Fang, S. El Hedri, J. Hewett, I. Hinchliffe, M. Peskin, T. Rizzo, E. Simmons, M. Shapiro and J.-H. Yu for useful discussions. We thank A. Schwartzman for his contributions to early drafts of this work. A. I. is supported by the Department of Energy under Grants No. DE-AC02-06CH11357, No. DE-AC02-76SF00515 and No. DE-FG02-12ER41811. The work of R. S. is supported in part by the United States National Science Foundation under Grant No. PHY-0952729. D. W. is supported by Department of Energy under Grant No. DE-AC02-76SF00515 and in part by a grant from the Ford Foundation via the National Academies of the Sciences as well as the National Science Foundation under Grant No. NSF-PHY-0705682, the LHC Theory Initiative. NR 65 TC 5 Z9 5 U1 0 U2 6 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 EI 1550-2368 J9 PHYS REV D JI Phys. Rev. D PD APR 2 PY 2015 VL 91 IS 7 AR 074002 DI 10.1103/PhysRevD.91.074002 PG 21 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA CE9HV UT WOS:000352155800002 ER PT J AU Petrov, AA Pokorski, S Wells, JD Zhang, ZK AF Petrov, Alexey A. Pokorski, Stefan Wells, James D. Zhang, Zhengkang TI Role of low-energy observables in precision Higgs boson analyses SO PHYSICAL REVIEW D LA English DT Article ID NONRELATIVISTIC SUM-RULES; HEAVY-QUARK MASSES; ATLAS DETECTOR; LHC; QCD; CHARM AB A conventional approach to precision calculations of Higgs boson observables uses quark masses m(c) and m(b) as inputs. However, quark masses are single numbers that hide a variety of low-energy data from which they are extracted, and also hide the various sources of theoretical uncertainties and correlations with additional input parameters such as as alpha(s). Higher-precision calculations, which are needed to give meaning to future measurements, require more direct engagement with the low-energy data in a global analysis. We present an initial calculation in this direction, which illustrates the procedure and reveals some of the theory uncertainties that challenge subpercent determinations of Higgs boson partial widths. C1 [Petrov, Alexey A.] Wayne State Univ, Dept Phys & Astron, Detroit, MI 48201 USA. [Petrov, Alexey A.; Wells, James D.; Zhang, Zhengkang] Univ Michigan, Dept Phys, Michigan Ctr Theoret Phys, Ann Arbor, MI 48109 USA. [Petrov, Alexey A.] Fermilab Natl Accelerator Lab, Dept Theoret Phys, Batavia, IL 60510 USA. [Pokorski, Stefan] Univ Warsaw, Inst Theoret Phys, PL-02093 Warsaw, Poland. RP Petrov, AA (reprint author), Wayne State Univ, Dept Phys & Astron, Detroit, MI 48201 USA. OI Zhang, Zhengkang/0000-0001-8305-5581 FU DOE [DE-SC0011719]; National Science Center in Poland [DEC-2012/05/B/ST2/02597, DEC-2012/04/A/ST2/00099]; U.S. Department of Energy [DE-SC0007983]; Fermilab's Intensity Frontier Fellowship; URA Visiting Scholar Award [14-S-23]; United States Department of Energy [DE-AC02-07CH11359] FX We thank J. Shigemitsu for useful discussions. J. D. W. and Z. Z. are supported in part by the DOE under Grant No. DE-SC0011719. S. P. is supported by the National Science Center in Poland under the research Grants No. DEC-2012/05/B/ST2/02597 and No. DEC-2012/04/A/ST2/00099. A. A. P. is grateful to Fermilab's Theory Group for their hospitality. A. A. P. is supported in part by the U.S. Department of Energy under Contract No. DE-SC0007983, Fermilab's Intensity Frontier Fellowship, and URA Visiting Scholar Award No. 14-S-23. Fermilab is operated by Fermi Research Alliance, LLC, under Contract No. DE-AC02-07CH11359 with the United States Department of Energy. NR 52 TC 8 Z9 8 U1 0 U2 3 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2470-0010 EI 2470-0029 J9 PHYS REV D JI Phys. Rev. D PD APR 2 PY 2015 VL 91 IS 7 AR 073001 DI 10.1103/PhysRevD.91.073001 PG 10 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA CE9HV UT WOS:000352155800001 ER PT J AU Zorn, JA Wang, Q Fujimura, E Barros, T Kuriyan, J AF Zorn, Julie A. Wang, Qi Fujimura, Eric Barros, Tiago Kuriyan, John TI Crystal Structure of the FLT3 Kinase Domain Bound to the Inhibitor Quizartinib (AC220) SO PLOS ONE LA English DT Article ID RECEPTOR TYROSINE KINASES; DRUG DISCOVERY; JUXTAMEMBRANE DOMAIN; STI-571 INHIBITION; AUTOINHIBITION; COMPLEX; CONFORMATIONS; LEUKEMIA; FIELD; MODE AB More than 30% of acute myeloid leukemia (AML) patients possess activating mutations in the receptor tyrosine kinase FMS-like tyrosine kinase 3 or FLT3. A small-molecule inhibitor of FLT3 (known as quizartinib or AC220) that is currently in clinical trials appears promising for the treatment of AML. Here, we report the co-crystal structure of the kinase domain of FLT3 in complex with quizartinib. FLT3 with quizartinib bound adopts an "Abl-like" inactive conformation with the activation loop stabilized in the "DFG-out" orientation and folded back onto the kinase domain. This conformation is similar to that observed for the uncomplexed intracellular domain of FLT3 as well as for related receptor tyrosine kinases, except for a localized induced fit in the activation loop. The co-crystal structure reveals the interactions between quizartinib and the active site of FLT3 that are key for achieving its high potency against both wild-type FLT3 as well as a FLT3 variant observed in many AML patients. This co-complex further provides a structural rationale for quizartinib-resistance mutations. C1 [Zorn, Julie A.; Wang, Qi; Fujimura, Eric; Barros, Tiago; Kuriyan, John] Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. [Zorn, Julie A.; Wang, Qi; Barros, Tiago; Kuriyan, John] Univ Calif Berkeley, Calif Inst Quantitat Biosci, Berkeley, CA 94720 USA. [Barros, Tiago; Kuriyan, John] Univ Calif Berkeley, Howard Hughes Med Inst, Berkeley, CA 94720 USA. [Kuriyan, John] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Kuriyan, John] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Kuriyan, J (reprint author), Univ Calif Berkeley, Dept Mol & Cell Biol, 229 Stanley Hall, Berkeley, CA 94720 USA. EM kuriyan@berkeley.edu RI Barros, Tiago/B-8455-2014 OI Barros, Tiago/0000-0002-9807-7625 FU National Institutes of Health National Cancer Institute [F32 CA177087-02]; Cancer Research Institute; Howard Hughes Medical Institute FX JAZ is supported by a postdoctoral fellowship from the National Institutes of Health National Cancer Institute (F32 CA177087-02). QW is supported by an Irvington Institute postdoctoral fellowship from the Cancer Research Institute. JK and TB are funded by Howard Hughes Medical Institute. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. NR 39 TC 9 Z9 9 U1 0 U2 17 PU PUBLIC LIBRARY SCIENCE PI SAN FRANCISCO PA 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA SN 1932-6203 J9 PLOS ONE JI PLoS One PD APR 2 PY 2015 VL 10 IS 4 AR UNSP e0121177 DI 10.1371/journal.pone.0121177 PG 15 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CE9BS UT WOS:000352139000040 PM 25837374 ER PT J AU Stalker, L Boreham, C Underschultz, J Freifeld, B Perkins, E Schacht, U Sharma, S AF Stalker, Linda Boreham, Chris Underschultz, Jim Freifeld, Barry Perkins, Ernie Schacht, Ulrike Sharma, Sandeep TI Application of tracers to measure, monitor and verify breakthrough of sequestered CO2 at the CO2CRC Otway Project, Victoria, Australia SO CHEMICAL GEOLOGY LA English DT Article DE Otway Stage 1 Project; Carbon storage; Geosequestration; Depleted reservoir; Tracers; Gas geochemistry ID DEPLETED GAS-FIELD; CARBON-DIOXIDE; INJECTION; STORAGE; SEQUESTRATION; RESERVOIR; GEOCHEMISTRY; LEAKAGE; WATER; USA AB At the Cooperative Research Centre for Greenhouse Gas Technology's (CO2CRC) field site in the Otway Basin of Victoria, Australia, investigations into the storage of CO2-rich gas in a depleted hydrocarbon gas field have been conducted in the Waarre C reservoir. The injected gas from the nearby Buttress field contained 75 mol% CO2, 21 mol% CH4 with the remaining balance being a mixture of wet hydrocarbons, condensate and nitrogen. Chemical tracers (sulphur hexafluoride, SF6; krypton, Kr; perdeuterated methane, CD4) were added on the basis of literature surveys and small volume trials at the Frio II Brine experiment in Texas. The aim of the project was to measure, monitor and verify the presence of injected CO2 in a depleted gas field and that the arrival of tracers was a major component of demonstrating breakthrough of CO2 at the monitoring well, Naylor-1. The paper focuses on methods developed for the injection, recovery and analysis of samples collected at the Naylor-1 well. Results of tracer analysis compare well with other data collected (including pH and density measurements) to demonstrate breakthrough. A slip-stream injection system was designed to deliver the tracers mixed with the CO2-rich gas into the subsurface at the CRC-1 well. The tracers were added to the gas stream 17 days after the start of injection (CO2 injection commenced 18th March, 2008) into the depleted natural gas field at Naylor. A U-tube system was used to retrieve the samples from the Naylor-1 monitoring well. Collected gas and formation water samples were analysed in detail for gas composition, tracers, isotopes (C-13 CO2 mainly) and inorganic geochemistry for the broader project. The tracer results confirm that CO2 breakthrough at the monitoring well occurred within the predicted times. However the interval between samples taken from the U-tubes was too coarse to resolve detailed differences in arrival times between the CO2 and tracers. Of the three tracers used, SF6 provided the clearest evidence of breakthrough at U-tube 2. Kr, because of its abundance in air, and its potential to be present in the subsurface, was more prone to contamination and had higher background levels prior to breakthrough. CD4 was expected to provide some more unique data based on the presence of abundant CH4 in the reservoir interval. With hindsight, larger volumes should have been injected to facilitate comparisons with the other tracers and add value to the data set. The test of CD4 however acted as a suitable proof of concept that CD4 could be used in such a high background of CH4. Further work is ongoing to generate data for partition coefficients between supercritical CO2, CH4 and water under the injection conditions. (C) 2015 Elsevier B.V. All rights reserved. C1 [Stalker, Linda; Boreham, Chris; Underschultz, Jim; Perkins, Ernie; Schacht, Ulrike; Sharma, Sandeep] CO2CRC, Canberra, ACT 2601, Australia. [Stalker, Linda] CSIRO, Bentley, WA 6102, Australia. [Boreham, Chris] Geosci Australia, Canberra, ACT 2601, Australia. [Underschultz, Jim] Univ Queensland, Sustainable Minerals Inst, Brisbane, Qld 4072, Australia. [Freifeld, Barry] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Perkins, Ernie] Alberta Innovates, Carbon Convers Capture & Storage, Edmonton, AB T6N 1E4, Canada. [Schacht, Ulrike] Univ Adelaide, Australian Sch Petr, Adelaide, SA 5005, Australia. [Sharma, Sandeep] Carbon Projects Pty Ltd, Perth, WA, Australia. RP Stalker, L (reprint author), CSIRO, POB 1130, Bentley, WA 6102, Australia. EM linda.stalker@csiro.au; chris.boreham@ga.gov.au; j.underschultz@uq.edu.au; bmfreifeld@lbl.gov; ernie.perkins@albertainnovates.ca; Ulrike.schacht@adelaide.edu.au; sharmass@bigpond.com RI Freifeld, Barry/F-3173-2010; Underschultz, Jim/N-1496-2013 OI Underschultz, Jim/0000-0003-2151-1478 FU Commonwealth of Australia; DOE [DE-AC02-05CH11231] FX The authors thank the CO2CRC for sponsoring this research and acknowledge the funding provided by the Commonwealth of Australia and industry sponsors through the CO2CRC Program. LS would also like to thank the Australian Academy of Science for support to visit LBNL as a part of writing up this work. Funding for Berkeley Laboratory participation (BF) in the Otway Project was provided by the National Energy Technology Laboratory, US Department of Energy, Office of Fossil Energy, under DOE Contract Number DE-AC02-05CH11231. Se Gong and Stephen Sestak of CSIRO are thanked for their efforts in improving the analytical method and tracer results by GCMS, while Jennifer van Holst and Peter G. Cook of CSIRO are thanked for performing, giving access and aiding in the analysis of samples by GC-ECD. Jonathan Ennis-King of CSIRO and CO2CRC is thanked with providing the timing modelling. We would also like to thank some IEA reviewers for comments on an early draft of the paper. We would also like to thank Matt Myers (CSIRO) and Bernhard Mayer (University of Calgary) for providing critical reviews of this manuscript. NR 36 TC 5 Z9 5 U1 1 U2 12 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0009-2541 EI 1878-5999 J9 CHEM GEOL JI Chem. Geol. PD APR 2 PY 2015 VL 399 BP 2 EP 19 DI 10.1016/j.chemgeo.2014.12.006 PG 18 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA CE8IR UT WOS:000352086100002 ER PT J AU Black, JR Carroll, SA Haese, RR AF Black, Jay R. Carroll, Susan A. Haese, Ralf R. TI Rates of mineral dissolution under CO2 storage conditions SO CHEMICAL GEOLOGY LA English DT Article DE Mineral dissolution rates; Geochemical modelling; CO2 storage ID SOLUTION SATURATION STATE; AQUEOUS NACL SOLUTIONS; CARBON-DIOXIDE; DEGREES-C; FORSTERITE DISSOLUTION; KAOLINITE DISSOLUTION; CHLORITE DISSOLUTION; CHEMICAL AFFINITY; WEATHERING RATES; SURFACE-AREA AB Evaluating the potential of a sedimentary basin reservoir to securely store CO2 benefits from a comprehensive understanding of the geochemical reactions that take place once CO2 is injected into a formation. In particular, models that predict the transport and reaction of CO2 within a reservoir require a definition of the types of reactions affected by enhanced levels of CO2 and how the kinetics of these reactions will affect a heterogeneous mineralogy and formation waters within a reservoir over time. In this review we evaluate rate models used to describe mineral dissolution kinetics and compare the range in values reported for the kinetic parameters used to describe the reactivity of various minerals relevant to mainly siliciclastic reservoirs. Parameters that have a significant impact on model results include the reactive surface area of a mineral, the apparent activation energies used to extrapolate reaction rates to the temperatures of potential storage reservoirs (c. 50-125 degrees C) and the in-situ pH of formation waters with elevated concentrations of dissolved CO2. The variation in reported values for these parameters can lead to predicted rates that span many orders of magnitude for a given mineral. Despite these uncertainties recent success with geochemical models has been made by applying a Monte Carlo approach to optimise the kinetic parameters for minerals where robust thermodynamic and kinetic data do not exist. (C) 2014 Elsevier B.V. All rights reserved. C1 [Black, Jay R.; Haese, Ralf R.] CO2CRC, Cooperat Res Ctr Greenhouse Gas Technol, Barton, ACT, Australia. [Black, Jay R.; Haese, Ralf R.] Univ Melbourne, Peter Cook Ctr CCS Res, Sch Earth Sci, Melbourne, Vic 3010, Australia. [Carroll, Susan A.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Black, JR (reprint author), Univ Melbourne, Peter Cook Ctr CCS Res, Sch Earth Sci, Melbourne, Vic 3010, Australia. EM jay.black@unimelb.edu.au RI Black, Jay/K-3705-2013 OI Black, Jay/0000-0003-1872-9345 FU Commonwealth of Australia; State governments; US DOE Fossil Energy Carbon Storage Program; U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX The authors thank the Cooperative Research Centre for Greenhouse Gas Technologies, CO2CRC, for sponsoring this research and acknowledge the funding provided by the Commonwealth of Australia, State governments, industry and academic partners through the CO2CRC Program. Thanks to members of the CO2CRC for scientific discussions. Carroll acknowledges the support from the US DOE Fossil Energy Carbon Storage Program. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 125 TC 4 Z9 4 U1 8 U2 37 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0009-2541 EI 1878-5999 J9 CHEM GEOL JI Chem. Geol. PD APR 2 PY 2015 VL 399 BP 134 EP 144 DI 10.1016/j.chemgeo.2014.09.020 PG 11 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA CE8IR UT WOS:000352086100010 ER PT J AU Wu, SF Buckley, S Schaibley, JR Feng, LF Yan, JQ Mandrus, DG Hatami, F Yao, W Vuckovic, J Majumdar, A Xu, XD AF Wu, Sanfeng Buckley, Sonia Schaibley, John R. Feng, Liefeng Yan, Jiaqiang Mandrus, David G. Hatami, Fariba Yao, Wang Vuckovic, Jelena Majumdar, Arka Xu, Xiaodong TI Monolayer semiconductor nanocavity lasers with ultralow thresholds SO NATURE LA English DT Article ID MOS2; TRANSITION; DIODES; WSE2 AB Engineering the electromagnetic environment of a nanometre-scale light emitter by use of a photonic cavity can significantly enhance its spontaneous emission rate, through cavity quantum electrodynamics in the Purcell regime. This effect can greatly reduce the lasing threshold of the emitter(1-5), providing a low-threshold laser system with small footprint, low power consumption and ultrafast modulation. An ultralow-threshold nanoscale laser has been successfully developed by embedding quantum dots into a photonic crystal cavity (PCC)(6-8). However, several challenges impede the practical application of this architecture, including the randompositions and compositional fluctuations of the dots(7), extreme difficulty in current injection(8), and lack of compatibility with electronic circuits(7,8). Here we report a new lasing strategy: an atomically thin crystalline semiconductor-that is, a tungsten diselenide monolayer-is non-destructively and deterministically introduced as a gain medium at the surface of a pre-fabricated PCC. A continuous-wave nanolaser operating in the visible regime is thereby achieved with an optical pumping threshold as low as 27 nanowatts at 130 kelvin, similar to the value achieved in quantum-dot PCC lasers(7). The key to the lasing action lies in the monolayer nature of the gain medium, which confines direct-gap excitons to within one nanometre of the PCC surface. The surface-gain geometry gives unprecedented accessibility and hence the ability to tailor gain properties via external controls such as electrostatic gating and current injection, enabling electrically pumped operation. Our scheme is scalable and compatible with integrated photonics for on-chip optical communication technologies. C1 [Wu, Sanfeng; Schaibley, John R.; Feng, Liefeng; Xu, Xiaodong] Univ Washington, Dept Phys, Seattle, WA 98195 USA. [Buckley, Sonia; Vuckovic, Jelena] Stanford Univ, Ginzton Lab, Stanford, CA 94305 USA. [Feng, Liefeng] Tianjin Univ, Dept Appl Phys, Tianjin 300072, Peoples R China. [Yan, Jiaqiang; Mandrus, David G.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Yan, Jiaqiang; Mandrus, David G.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Mandrus, David G.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Hatami, Fariba] Humboldt Univ, Dept Phys, D-12489 Berlin, Germany. [Yao, Wang] Univ Hong Kong, Dept Phys, Hong Kong, Hong Kong, Peoples R China. [Yao, Wang] Univ Hong Kong, Ctr Theoret & Computat Phys, Hong Kong, Hong Kong, Peoples R China. [Majumdar, Arka] Univ Washington, Dept Elect Engn, Seattle, WA 98195 USA. [Xu, Xiaodong] Univ Washington, Dept Mat Sci & Engn, Seattle, WA 98195 USA. RP Xu, XD (reprint author), Univ Washington, Dept Phys, Seattle, WA 98195 USA. EM arka@uw.edu; xuxd@uw.edu RI Yao, Wang/C-1353-2008; Wu, Sanfeng/L-1323-2016 OI Yao, Wang/0000-0003-2883-4528; Wu, Sanfeng/0000-0002-6227-6286 FU AFOSR [FA9550-14-1-0277]; NSF [ECS-9731293]; State of Washington through the University of Washington Clean Energy Institute; Presidential Early Award for Scientists and Engineers (PECASE) [N00014-08-1-0561]; Stanford Graduate Fellowship; US DoE, BES, Materials Sciences and Engineering Division; European Commission [FP7-ICT-2013-613024-GRASP]; [NSF-EFRI-1433496] FX We thank C. Dodson for helping with reflection measurements of nanocavities. This work was mainly supported by AFOSR (FA9550-14-1-0277). A.M. is supported by NSF-EFRI-1433496. Photonic crystal fabrication was performed in part at the Stanford Nanofabrication Facility of NNIN supported by the NSF under grant no. ECS-9731293, and at the Stanford Nano Center. S.W. was partially supported by the State of Washington through the University of Washington Clean Energy Institute. S.B. and J.V. were supported by the Presidential Early Award for Scientists and Engineers (PECASE) administered through the Office of Naval Research, under grant number N00014-08-1-0561. S.B. was also supported by a Stanford Graduate Fellowship. J.Y. and D.G.M. were supported by US DoE, BES, Materials Sciences and Engineering Division. F.H. acknowledges support from the European Commission (FP7-ICT-2013-613024-GRASP). NR 31 TC 118 Z9 119 U1 59 U2 374 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 0028-0836 EI 1476-4687 J9 NATURE JI Nature PD APR 2 PY 2015 VL 520 IS 7545 BP 69 EP U142 DI 10.1038/nature14290 PG 8 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CE7NE UT WOS:000352027700038 PM 25778703 ER PT J AU Chen, CC van Veenendaal, M Devereaux, TP Wohlfeld, K AF Chen, Cheng-Chien van Veenendaal, Michel Devereaux, Thomas P. Wohlfeld, Krzysztof TI Fractionalization, entanglement, and separation: Understanding the collective excitations in a spin-orbital chain SO PHYSICAL REVIEW B LA English DT Article ID ONE-DIMENSIONAL SRCUO2; HEISENBERG ANTIFERROMAGNETIC CHAIN; CLUSTER PERTURBATION-THEORY; T-J MODEL; HUBBARD-MODEL; GROUND-STATE; DYNAMICS; SYSTEMS; FIELD; DEGENERACY AB Using a combined analytical and numerical approach, we study the collective spin and orbital excitations in a spin-orbital chain under a crystal field. Irrespective of the crystal-field strength, these excitations can be universally described by fractionalized fermions. The fractionalization phenomenon persists and contrasts strikingly with the case of a spin chain, where fractionalized spinons cannot be individually observed but confined to form magnons in a strong magnetic field. In the spin-orbital chain, each of the fractional quasiparticles carries both spin and orbital quantum numbers, and the two variables are always entangled in the collective excitations. Our result further shows that the recently reported separation phenomenon occurs when crystal fields fully polarize the orbital degrees of freedom. In this case, however, the spinon and orbiton dynamics are decoupled solely because of a redefinition of the spin and orbital quantum numbers. C1 [Chen, Cheng-Chien; van Veenendaal, Michel] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [van Veenendaal, Michel] No Illinois Univ, Dept Phys, De Kalb, IL 60115 USA. [Devereaux, Thomas P.; Wohlfeld, Krzysztof] Stanford Inst Mat & Energy Sci, SLAC Natl Lab, Menlo Pk, CA 94025 USA. [Devereaux, Thomas P.; Wohlfeld, Krzysztof] Stanford Univ, Menlo Pk, CA 94025 USA. [Wohlfeld, Krzysztof] Univ Warsaw, Fac Phys, Inst Theoret Phys, PL-02093 Warsaw, Poland. RP Chen, CC (reprint author), Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. FU Aneesur Rahman Postdoctoral Fellowship at Argonne National Laboratory (ANL) [DE-AC02-06CH11357]; DOE Office of Basic Energy Sciences (BES) Award [DE-FG02-03ER46097]; NIU Institute for Nanoscience, Engineering and Technology; DOE-BES Division of Materials Sciences and Engineering (DMSE) [DE-AC02-76SF00515]; Polish National Science Center [2012/04/A/ST3/00331]; ANL X-ray Science Division Visitor Program; DOE-BES-DMSE Computational Materials Science Network program [DE-FG02-08ER46540]; U.S. DOE [DE-AC02-05CH11231] FX The authors acknowledge discussion with Bruce Normand, Zheng-Xin Liu, Joseph Maciejko, Andrzej M. Oles, Rajiv Singh, Tsezar Seman, and Hong-Hao Tu. C.C.C. is supported by the Aneesur Rahman Postdoctoral Fellowship at Argonne National Laboratory (ANL), operated by the U.S. Department of Energy (DOE) Contract No. DE-AC02-06CH11357. M.v.V is supported by the DOE Office of Basic Energy Sciences (BES) Award No. DE-FG02-03ER46097 and the NIU Institute for Nanoscience, Engineering and Technology. K.W. and T.P.D. acknowledge support from the DOE-BES Division of Materials Sciences and Engineering (DMSE) under Contract No. DE-AC02-76SF00515 (Stanford/SIMES). K.W. acknowledges support from the Polish National Science Center under Project No. 2012/04/A/ST3/00331. K.W. is also grateful for support from the ANL X-ray Science Division Visitor Program. The collaboration was supported by the DOE-BES-DMSE Computational Materials Science Network program under Contract No. DE-FG02-08ER46540. This work utilized computational resources at NERSC, supported by the U.S. DOE Contract No. DE-AC02-05CH11231. NR 72 TC 6 Z9 6 U1 3 U2 13 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD APR 2 PY 2015 VL 91 IS 16 AR 165102 DI 10.1103/PhysRevB.91.165102 PG 10 WC Physics, Condensed Matter SC Physics GA CE9DE UT WOS:000352143000001 ER PT J AU Fan, ZS Liang, C AF Fan, Zhaosheng Liang, Chao TI Significance of microbial asynchronous anabolism to soil carbon dynamics driven by litter inputs SO SCIENTIFIC REPORTS LA English DT Article ID ORGANIC-MATTER; THEORETICAL-MODEL; CLIMATE-CHANGE; NITROGEN; DECOMPOSITION; RESPIRATION; COMMUNITIES; MECHANISMS; BIOMASS; MINERALIZATION AB Soil organic carbon (SOC) plays an important role in the global carbon cycle. However, it remains largely unknown how plant litter inputs impact magnitude, composition and source configuration of the SOC stocks over long term through microbial catabolism and anabolism, mostly due to uncoupled research on litter decomposition and SOC formation. This limits our ability to predict soil system responses to changes in land-use and climate. Here, we examine how microbes act as a valve controlling carbon sequestrated from plant litters versus released to the atmosphere in natural ecosystems amended with plant litters varying in quantity and quality. We find that litter quality - not quantity - regulates long-term SOC dynamics under different plausible scenarios. Long-term changes in bulk SOC stock occur only when the quality of carbon inputs causes asynchronous change in a microbial physiological trait, defined as "microbial biosynthesis acceleration" (MBA). This is the first theoretical demonstration that the response of the SOC stocks to litter inputs is critically determined by the microbial physiology. Our work suggests that total SOC at an equilibrium state may be an intrinsic property of a given ecosystem, which ultimately is controlled by the asynchronous MBA between microbial functional groups. C1 [Fan, Zhaosheng; Liang, Chao] Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. [Liang, Chao] Chinese Acad Sci, Inst Appl Ecol, State Key Lab Forest & Soil Ecol, Shenyang 110164, Peoples R China. RP Liang, C (reprint author), Argonne Natl Lab, Biosci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM cliang823@gmail.com FU U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research, Climate and Environmental Science Division [DE-AC02-06CH11357]; "Strategic Priority Research Program-China Soil Microbiome Initiative: Function and Regulation of Soil - Microbial Systems" of the Chinese Academy of Sciences [XDB15010303] FX We thank M. Warren, C. Xu, T. Balser, R. Jackson and J. Tiedje for discussions during the early development of the ideas and concepts behind this model. Particularly, we would like to thank J. Jastrow for the constructive comments and suggestions to improve the manuscript. This work was supported by the U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research, Climate and Environmental Science Division under contract DE-AC02-06CH11357 and the "Strategic Priority Research Program-China Soil Microbiome Initiative: Function and Regulation of Soil - Microbial Systems" of the Chinese Academy of Sciences (No. XDB15010303). NR 47 TC 1 Z9 1 U1 6 U2 49 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2045-2322 J9 SCI REP-UK JI Sci Rep PD APR 2 PY 2015 VL 5 AR 9575 DI 10.1038/srep09575 PG 7 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CE8NL UT WOS:000352099600001 PM 25849864 ER PT J AU Sridharan, V DeBardeleben, N Blanchard, S Ferreira, KB Stearley, J Shalf, J Gurumurthi, S AF Sridharan, Vilas DeBardeleben, Nathan Blanchard, Sean Ferreira, Kurt B. Stearley, Jon Shalf, John Gurumurthi, Sudhanva TI Memory Errors in Modern Systems SO ACM SIGPLAN NOTICES LA English DT Article; Proceedings Paper CT 20th International Conference on Architectural Support for Programming Languages and Operating Systems (ASPLOS) CY MAR 14-18, 2015 CL Istanbul, TURKEY SP ACM SIGARCH, ACM SIGOPS, ACM SIGPLAN DE Field studies; Large-scale systems; Reliability ID INDUCED SOFT ERRORS AB Several recent publications have shown that hardware faults in the memory subsystem are commonplace. These faults are predicted to become more frequent in future systems that contain orders of magnitude more DRAM and SRAM than found in current memory subsystems. These memory subsystems will need to provide resilience techniques to tolerate these faults when deployed in high-performance computing systems and data centers containing tens of thousands of nodes. Therefore, it is critical to understand the efficacy of current hardware resilience techniques to determine whether they will be suitable for future systems. In this paper, we present a study of DRAM and SRAM faults and errors from the field. We use data from two leadership-class high-performance computer systems to analyze the reliability impact of hardware resilience schemes that are deployed in current systems. Our study has several key findings about the efficacy of many currently-deployed reliability techniques such as DRAM ECC, DDR address/command parity, and SRAM ECC and parity. We also perform a methodological study, and find that counting errors instead of faults, a common practice among researchers and data center operators, can lead to incorrect conclusions about system reliability. Finally, we use our data to project the needs of future large-scale systems. We find that SRAM faults are unlikely to pose a significantly larger reliability threat in the future, while DRAM faults will be a major concern and stronger DRAM resilience schemes will be needed to maintain acceptable failure rates similar to those found on today's systems. C1 [Sridharan, Vilas] RAS Architecture, Moscow, Russia. [Gurumurthi, Sudhanva] Adv Micro Devices Inc, AMD Res, Boxboro, MA USA. [DeBardeleben, Nathan; Blanchard, Sean] Los Alamos Natl Lab, Ultrascale Syst Res Ctr, Los Alamos, NM USA. [Ferreira, Kurt B.; Stearley, Jon] Sandia Natl Labs, Scalable System Software, POB 5800, Albuquerque, NM 87185 USA. [Shalf, John] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Natl Energy Res Sci Comp Ctr, Berkeley, CA 94720 USA. RP Sridharan, V (reprint author), RAS Architecture, Moscow, Russia. EM vilas.sridharan@amd.com; ndebard@lanl.gov; seanb@lanl.gov; kbferre@sandia.gov; jrstear@sandia.gov; jshalf@lbl.gov; sudhanva.gurumurthi@amd.com FU U.S. Department of Energy [DE-FC02-06ER25750]; United States Department of Energy [DE-AC04-94AL85000]; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX A portion of this work was performed at the Ultrascale Systems Research Center (USRC) at Los Alamos National Laboratory, supported by the U.S. Department of Energy contract DE-FC02-06ER25750. The publication has been assigned the LANL identifier LA-UR-14-26219.; 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. The publication has been assigned the Sandia identifier SAND2014-16515J; A portion of this work used resources of the National Energy Research Scientific Computing Center supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 34 TC 1 Z9 1 U1 0 U2 0 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 2 PENN PLAZA, STE 701, NEW YORK, NY 10121-0701 USA SN 0362-1340 EI 1558-1160 J9 ACM SIGPLAN NOTICES JI ACM Sigplan Not. PD APR PY 2015 VL 50 IS 4 BP 297 EP 310 DI 10.1145/2694344.2694348 PG 14 WC Computer Science, Software Engineering SC Computer Science GA DE8GW UT WOS:000370874900021 ER PT J AU Vecharynski, E AF Vecharynski, Eugene TI A generalization of Saad's bound on harmonic Ritz vectors of Hermitian matrices SO LINEAR ALGEBRA AND ITS APPLICATIONS LA English DT Article DE Interior eigenvalue; Eigenvector; Harmonic Rayleigh-Ritz; Ritz vector; Condition number; Preconditioning; Eigensolver; A priori bound ID EIGENVALUE PROBLEMS; APPROXIMATIONS; EIGENSOLVER; PROJECTION AB We prove a Saad's type bound for harmonic Ritz vectors of a Hermitian matrix. The new bound reveals a dependence of the harmonic Rayleigh Ritz procedure on the condition number of a shifted problem operator. Several practical implications are discussed. In particular, the bound motivates incorporation of preconditioning into the harmonic Rayleigh Ritz scheme. (C) 2016 Elsevier Inc. All rights reserved. C1 [Vecharynski, Eugene] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA. RP Vecharynski, E (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM eugene.vecharynski@gmail.com NR 20 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 0024-3795 EI 1873-1856 J9 LINEAR ALGEBRA APPL JI Linear Alg. Appl. PD APR 1 PY 2015 VL 494 BP 219 EP 235 DI 10.1016/j.laa.2016.01.013 PG 17 WC Mathematics, Applied; Mathematics SC Mathematics GA DE8MZ UT WOS:000370891400013 ER PT J AU Chen, WB Schmidt, M Tian, WH Samatova, NF Zhang, SH AF Chen, Wenbin Schmidt, Matthew Tian, Wenhong Samatova, Nagiza F. Zhang, Shaohong TI An efficient algorithm for pairwise local alignment of protein interaction networks SO JOURNAL OF BIOINFORMATICS AND COMPUTATIONAL BIOLOGY LA English DT Article DE Network alignment; conserved functional modules; graph optimization; graph theory ID FUNCTIONAL MODULES; GENE ONTOLOGY; TOOL; IDENTIFICATION; COMPLEXES; YEAST AB Recently, researchers seeking to understand, modify, and create beneficial traits in organisms have looked for evolutionarily conserved patterns of protein interactions. Their conservation likely means that the proteins of these conserved functional modules are important to the trait's expression. In this paper, we formulate the problem of identifying these conserved patterns as a graph optimization problem, and develop a fast heuristic algorithm for this problem. We compare the performance of our network alignment algorithm to that of the MaWISh algorithm [Koyuturk M, Kim Y, Topkara U, Subramaniam S, Szpankowski W, Grama A, Pairwise alignment of protein interaction networks, J Comput Biol 13(2): 182-199, 2006.], which bases its search algorithm on a related decision problem formulation. We find that our algorithm discovers conserved modules with a larger number of proteins in an order of magnitude less time. The protein sets found by our algorithm correspond to known conserved functional modules at comparable precision and recall rates as those produced by the MaWISh algorithm. C1 [Chen, Wenbin; Zhang, Shaohong] Guangzhou Univ, Dept Comp Sci, Guangzhou Higher Educ Mega Ctr, 230 Wai Huan Xi Rd, Guangzhou 510006, Guangdong, Peoples R China. [Chen, Wenbin] Fudan Univ, Shanghai Key Lab Intelligent Informat Proc, Shanghai 200433, Peoples R China. [Chen, Wenbin] Nanjing Univ, State Key Lab Novel Software Technol, Nanjing 210093, Jiangsu, Peoples R China. [Samatova, Nagiza F.] N Carolina State Univ, Dept Comp Sci, Raleigh, NC 27695 USA. [Samatova, Nagiza F.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. [Tian, Wenhong] Univ Elect & Technol China, Dept Comp Sci, Chengdu 610054, Sichuan, Peoples R China. RP Chen, WB (reprint author), Guangzhou Univ, Dept Comp Sci, Guangzhou Higher Educ Mega Ctr, 230 Wai Huan Xi Rd, Guangzhou 510006, Guangdong, Peoples R China. EM cwb2011@gzhu.edu.cn FU U.S. Department of Energy (Office of Advanced Scientific Computing Research, Office of Science); Laboratory Directed Research and Development Program of Oak Ridge National Laboratory; LLC U.S. D.O.E. [DEAC05-00OR22725]; National Natural Science Foundation of China (NSFC) [11271097]; Shanghai Key Laboratory of Intelligent Information Processing [IIPL-2011-001]; State Key Laboratory for Novel Software Technology, Nanjing University [KFKT2012B01]; Guangzhou Education Bureau [2012A074]; National Natural Science Foundation of China [61202273]; Department of Education in Guangdong province [2013KJCX0144] FX This research has been supported by the "Exploratory Data Intensive Computing for Complex Biological Systems" project from U.S. Department of Energy (Office of Advanced Scientific Computing Research, Office of Science). The work of NFS was also sponsored by the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory. Oak Ridge National Laboratory is managed by UT-Battelle for the LLC U.S. D.O.E. under contract no. DEAC05-00OR22725.; Wenbin Chen's research has been supported by the National Natural Science Foundation of China (NSFC) under Grant No. 11271097, the project IIPL-2011-001 from Shanghai Key Laboratory of Intelligent Information Processing, and the project KFKT2012B01 from State Key Laboratory for Novel Software Technology, Nanjing University, the research projects of Guangzhou Education Bureau under Grant No. 2012A074. Shaohong Zhang' research has been supported by National Natural Science Foundation of China under Grant No. 61202273 and a grant from the Department of Education in Guangdong province under project No. 2013KJCX0144. NR 24 TC 0 Z9 0 U1 1 U2 1 PU IMPERIAL COLLEGE PRESS PI LONDON PA 57 SHELTON ST, COVENT GARDEN, LONDON WC2H 9HE, ENGLAND SN 0219-7200 EI 1757-6334 J9 J BIOINF COMPUT BIOL JI J. Bioinform. Comput. Biol. PD APR PY 2015 VL 13 IS 2 AR 1550003 DI 10.1142/S0219720015500031 PG 14 WC Biochemical Research Methods; Computer Science, Interdisciplinary Applications; Mathematical & Computational Biology SC Biochemistry & Molecular Biology; Computer Science; Mathematical & Computational Biology GA DD2MA UT WOS:000369755400003 PM 25477149 ER PT J AU Nguyen, MC Zhao, X Wang, CZ Ho, KM AF Manh Cuong Nguyen Zhao, Xin Wang, Cai-Zhuang Ho, Kai-Ming TI First-principles study of direct and narrow band gap semiconducting beta-CuGaO2 SO MATERIALS RESEARCH EXPRESS LA English DT Article DE semiconducting oxides; solar cell materials; band gap; Gibbs free energy ID AUGMENTED-WAVE METHOD; CUGAO2 AB Semiconducting oxides have attracted much attention due to their great stability in air or water and the abundance of oxygen. Recent success in synthesizing a metastable phase of CuGaO2 with direct narrow band gap opens up new applications of semiconducting oxides as absorber layer for photovoltaics. Using first -principles density functional theory calculations, we investigate the thermodynamic and mechanical stabilities as well as the structural and electronic properties of the beta-CuGaO2 phase. Our calculations show that the beta-CuGaO2 structure is dynamically and mechanically stable. The energy band gap is confirmed to be direct at the F point of Brillouin zone. The optical absorption occurs right at the band gap edge and the density of states near the valance band maximum is large, inducing an intense absorption of light as observed in experiment. C1 [Manh Cuong Nguyen] Iowa State Univ, Ames Lab, US DOE, Ames, IA 50011 USA. Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. RP Nguyen, MC (reprint author), Iowa State Univ, Ames Lab, US DOE, Ames, IA 50011 USA. EM mcnguyen@ameslab.gov RI Nguyen, Manh Cuong/G-2783-2015; OI Nguyen, Manh Cuong/0000-0001-8027-9029; Zhao, Xin/0000-0002-3580-512X NR 27 TC 1 Z9 1 U1 0 U2 7 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 2053-1591 J9 MATER RES EXPRESS JI Mater. Res. Express PD APR PY 2015 VL 2 IS 4 AR 045902 DI 10.1088/2053-1591/2/4/045902 PG 6 WC Materials Science, Multidisciplinary SC Materials Science GA DD6AY UT WOS:000370007300030 ER PT J AU Chamoun, M Hertzberg, BJ Gupta, T Davies, D Bhadra, S Van Tassell, B Erdonmez, C Steingart, DA AF Chamoun, Mylad Hertzberg, Benjamin J. Gupta, Tanya Davies, Daniel Bhadra, Shoham Van Tassell, Barry Erdonmez, Can Steingart, Daniel A. TI Hyper-dendritic nanoporous zinc foam anodes SO NPG ASIA MATERIALS LA English DT Article ID ALKALINE ELECTROLYTES; KINETIC-ANALYSIS; DEPOSITION; BEHAVIOR; MORPHOLOGY; BATTERY; ELECTRODEPOSITION; MECHANISM; EVOLUTION; CAPACITY AB The low cost, significant reduction potential and relative safety of the zinc electrode is a common hope for a reductant in secondary batteries, but it is limited mainly to primary implementation due to shape change. In this work, we exploit such shape change for the benefit of static electrodes through the electrodeposition of hyper-dendritic nanoporous zinc foam. Electrodeposition of zinc foam resulted in nanoparticles formed on secondary dendrites in a three-dimensional network with a particle size distribution of 54.1-96.0 nm. The nanoporous zinc foam contributed to highly oriented crystals, high surface area and more rapid kinetics in contrast to conventional zinc in alkaline mediums. The anode material presented had a utilization of similar to 88% at full depth-of-discharge (DOD) at various rates indicating a superb rate capability. The rechargeability of Zn-0/Zn2+ showed significant capacity retention over 100 cycles at a 40% DOD to ensure that the dendritic core structure was imperforated. The dendritic architecture was densified upon charge-discharge cycling and presented superior performance compared with bulk zinc electrodes. C1 [Chamoun, Mylad; Erdonmez, Can] Brookhaven Natl Lab, Sustainable Energy Technol Dept, Upton, NY 11973 USA. [Chamoun, Mylad; Hertzberg, Benjamin J.; Gupta, Tanya; Davies, Daniel; Steingart, Daniel A.] Princeton Univ, Dept Mech & Aerosp Engn, Andlinger Ctr Energy & Environm, D428 EQuad, Princeton, NJ 08544 USA. [Bhadra, Shoham] Princeton Univ, Andlinger Ctr Energy & Environm, Dept Elect Engn, Princeton, NJ 08544 USA. [Van Tassell, Barry] CUNY, Dept Chem Engn, New York, NY 10021 USA. [Chamoun, Mylad] Stockholm Univ, Dept Mat & Environm Chem, Arrhenius Lab, S-10691 Stockholm, Sweden. RP Steingart, DA (reprint author), Princeton Univ, Dept Mech & Aerosp Engn, Andlinger Ctr Energy & Environm, D428 EQuad, Princeton, NJ 08544 USA. EM steingart@princeton.edu OI Steingart, Daniel/0000-0002-8184-9641 FU National Science Foundation [1402872]; Department of Energy Advanced Research Projects Agency for Energy Award [DE-AR0000400]; Laboratory Directed Research and Development Program of Brookhaven National Laboratory (LDRD BNL) [DE-AC02-98CH 10866]; US Department of Energy FX This work was partially supported in part by the National Science Foundation No. 1402872 and the Department of Energy Advanced Research Projects Agency for Energy Award DE-AR0000400. C Erdonmez and M Chamoun were partially supported by Laboratory Directed Research and Development Program of Brookhaven National Laboratory (LDRD BNL) Under Contract No. DE-AC02-98CH 10866 with the US Department of Energy. We would like to thank Dr Josh Gallaway for stimulating discussion on the nature of the diffusion layer at the limiting current, as well as Ms. Alla Zamarayeva for encouragement to studying the electrochemical properties of this curious morphology. NR 34 TC 8 Z9 8 U1 4 U2 8 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 1884-4049 EI 1884-4057 J9 NPG ASIA MATER JI NPG Asia Mater. PD APR PY 2015 VL 7 AR e178 DI 10.1038/am.2015.32 PG 8 WC Materials Science, Multidisciplinary SC Materials Science GA DD3JI UT WOS:000369818000002 ER PT J AU Armato, SG Hadjiiski, L Tourassi, GD Drukker, K Giger, ML Li, F Redmond, G Farahani, K Kirby, JS Clarke, LP AF Armato, Samuel G., III Hadjiiski, Lubomir Tourassi, Georgia D. Drukker, Karen Giger, Maryellen L. Li, Feng Redmond, George Farahani, Keyvan Kirby, Justin S. Clarke, Laurence P. TI LUNGx Challenge for computerized lung nodule classification: reflections and lessons learned SO JOURNAL OF MEDICAL IMAGING LA English DT Editorial Material ID TOMOGRAPHY SCANS; AIDED DETECTION; PERFORMANCE; ALGORITHMS; SCHEMES C1 [Armato, Samuel G., III; Drukker, Karen; Giger, Maryellen L.; Li, Feng] Univ Chicago, Dept Radiol, Chicago, IL 60637 USA. [Hadjiiski, Lubomir] Univ Michigan, Dept Radiol, Ann Arbor, MI 48109 USA. [Tourassi, Georgia D.] Oak Ridge Natl Lab, Hlth Data Sci Inst, Biomed Sci & Engn Ctr, Oak Ridge, TN 37831 USA. [Redmond, George; Farahani, Keyvan; Clarke, Laurence P.] NCI, Div Canc Treatment & Diag, Canc Imaging Program, Bethesda, MD 20892 USA. [Kirby, Justin S.] Leidos Biomed Res Inc, Canc Imaging Program, Frederick Natl Lab Canc Res, Frederick, MD 21702 USA. RP Armato, SG (reprint author), Univ Chicago, Dept Radiol, MC 2026 5841 S Maryland Ave, Chicago, IL 60637 USA. EM s-armato@uchicago.edu FU CCR NIH HHS [HHSN261200800001C]; NCI NIH HHS [HHSN261200800001E] NR 12 TC 7 Z9 7 U1 1 U2 5 PU SPIE-SOC PHOTO-OPTICAL INSTRUMENTATION ENGINEERS PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98225 USA SN 2329-4302 EI 2329-4310 J9 J MED IMAGING JI J. Med. Imaging PD APR-JUN PY 2015 VL 2 IS 2 AR 020103 PG 5 WC Radiology, Nuclear Medicine & Medical Imaging SC Radiology, Nuclear Medicine & Medical Imaging GA CZ1ES UT WOS:000366849300002 PM 26158094 ER PT J AU Wu, CQ Lin, XY Yu, DY Xu, W Li, L AF Wu, Chase Qishi Lin, Xiangyu Yu, Dantong Xu, Wei Li, Li TI End-to-End Delay Minimization for Scientific Workflows in Clouds under Budget Constraint SO IEEE TRANSACTIONS ON CLOUD COMPUTING LA English DT Article DE Scientific workflows; workflow scheduling; cloud computing ID ENVIRONMENTS; PERFORMANCE AB Next-generation e-Science features large-scale, compute-intensive workflows of many computing modules that are typically executed in a distributed manner. With the recent emergence of cloud computing and the rapid deployment of cloud infrastructures, an increasing number of scientific workflows have been shifted or are in active transition to cloud environments. As cloud computing makes computing a utility, scientists across different application domains are facing the same challenge of reducing financial cost in addition to meeting the traditional goal of performance optimization. We develop a prototype generic workflow system by leveraging existing technologies for a quick evaluation of scientific workflow optimization strategies. We construct analytical models to quantify the network performance of scientific workflows using cloud-based computing resources, and formulate a task scheduling problem to minimize the workflow end-to-end delay under a user-specified financial constraint. We rigorously prove that the proposed problem is not only NP-complete but also non-approximable. We design a heuristic solution to this problem, and illustrate its performance superiority over existing methods through extensive simulations and real-life workflow experiments based on proof-of-concept implementation and deployment in a local cloud testbed. C1 [Wu, Chase Qishi; Lin, Xiangyu] Univ Memphis, Dept Comp Sci, Memphis, TN 38152 USA. [Yu, Dantong; Xu, Wei; Li, Li] Brookhaven Natl Lab, Computat Sci Ctr, Upton, NY 11973 USA. RP Wu, CQ (reprint author), Univ Memphis, Dept Comp Sci, Memphis, TN 38152 USA. EM chase.wu@memphis.edu; xlin@memphis.edu; dtyu@bnl.gov; wxu@bnl.gov; lili@bnl.gov NR 37 TC 2 Z9 2 U1 0 U2 1 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 2168-7161 J9 IEEE TRANS CLOUD COM JI IEEE Trans. Cloud Comput. PD APR-JUN PY 2015 VL 3 IS 2 BP 169 EP 181 DI 10.1109/TCC.2014.2358220 PG 13 WC Computer Science, Software Engineering SC Computer Science GA CY1LJ UT WOS:000366167500008 ER PT J AU Canini, L Koh, C Cotler, SJ Zhao, X Uprichard, SL Haynes-Williams, V Winters, MA Subramanya, G Cooper, SL Pinto, P Wolff, E Bishop, R Han, MAT Kleiner, DE Keskin, O Idilman, R Yurdaydin, C Glenn, JS Heller, T Dahari, H AF Canini, L. Koh, C. Cotler, S. J. Zhao, X. Uprichard, S. L. Haynes-Williams, V. Winters, M. A. Subramanya, G. Cooper, S. L. Pinto, P. Wolff, E. Bishop, R. Han, M. A. Than Kleiner, D. E. Keskin, O. Idilman, R. Yurdaydin, C. Glenn, J. S. Heller, T. Dahari, H. TI UNDERSTANDING HEPATITIS DELTA VIRUS AND HBsAg KINETICS DURING TREATMENT WITH PRENYLATION INHIBITOR LONAFARNIB VIA MATHEMATICAL MODELING SO JOURNAL OF HEPATOLOGY LA English DT Meeting Abstract CT 50th International Liver Congress of the European-Association-for-the-Study-of-the-Liver CY APR 22-26, 2015 CL Vienna, AUSTRIA SP European Assoc Study Liver C1 [Canini, L.; Cotler, S. J.; Uprichard, S. L.; Subramanya, G.; Dahari, H.] Loyola Univ, Med Ctr, Div Hepatol, Program Expt & Theoret Modeling, Maywood, IL 60153 USA. [Canini, L.] Univ Edinburgh, Ctr Immun Infect & Evolut, Edinburgh, Midlothian, Scotland. [Koh, C.; Haynes-Williams, V.; Han, M. A. Than; Heller, T.] NIDDK, Translat Hepatol Unit, Liver Dis Branch, Bethesda, MD 20892 USA. [Zhao, X.] NIDDK, Off Director, NIH, Bethesda, MD 20892 USA. [Winters, M. A.; Glenn, J. S.] Stanford Sch Med, Dept Med, Div Gastroenterol & Hepatol, Stanford, CA USA. [Winters, M. A.; Glenn, J. S.] Stanford Sch Med, Dept Microbiol & Immunol, Stanford, CA USA. [Cooper, S. L.] Calif Pacific Med Ctr, Div Hepatol, San Francisco, CA USA. [Pinto, P.] NCI, Urol Oncol Branch, NIH, Bethesda, MD 20892 USA. [Wolff, E.] NICHHD, Unit Reprod & Regenerat Med, Bethesda, MD 20892 USA. [Bishop, R.] NEI, Consult Serv Sect, Bethesda, MD 20892 USA. [Kleiner, D. E.] NCI, Lab Pathol, NIH, Bethesda, MD 20892 USA. [Keskin, O.; Idilman, R.; Yurdaydin, C.] Ankara Univ, Dept Gastroenterol, TR-06100 Ankara, Turkey. [Dahari, H.] Los Alamos Natl Lab, Theoret Biol & Biophys Grp, Los Alamos, NM USA. EM harel.dahari@gmail.com NR 0 TC 0 Z9 0 U1 1 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-8278 EI 1600-0641 J9 J HEPATOL JI J. Hepatol. PD APR PY 2015 VL 62 SU 2 MA LP36 BP S281 EP S282 PG 2 WC Gastroenterology & Hepatology SC Gastroenterology & Hepatology GA CS3IZ UT WOS:000361967600190 ER PT J AU Schulze, K Imbeaud, S Letouze, E Alexandrov, LB Calderaro, J Rebouissou, S Couchy, G Meiller, C Soysouvanh, F Calatayud, AL Pinyol, R Pelletier, L Balabaud, C Laurent, A Blanc, JF Mazzaferro, V Calvo, F Villanueva, A Nault, JC Bioulac-Sage, P Stratton, MR Llovet, JM Zucman-Rossi, J AF Schulze, K. Imbeaud, S. Letouze, E. Alexandrov, L. B. Calderaro, J. Rebouissou, S. Couchy, G. Meiller, C. Soysouvanh, F. Calatayud, A. -L. Pinyol, R. Pelletier, L. Balabaud, C. Laurent, A. Blanc, J. -F. Mazzaferro, V. Calvo, F. Villanueva, A. Nault, J. -C. Bioulac-Sage, P. Stratton, M. R. Llovet, J. M. Zucman-Rossi, J. TI EXOME SEQUENCING OF 243 LIVER TUMORS IDENTIFIES NEW MUTATIONAL SIGNATURES AND POTENTIAL THERAPEUTIC TARGETS SO JOURNAL OF HEPATOLOGY LA English DT Meeting Abstract CT 50th International Liver Congress of the European-Association-for-the-Study-of-the-Liver CY APR 22-26, 2015 CL Vienna, AUSTRIA SP European Assoc Study Liver C1 [Schulze, K.; Imbeaud, S.; Letouze, E.; Calderaro, J.; Rebouissou, S.; Couchy, G.; Meiller, C.; Soysouvanh, F.; Calatayud, A. -L.; Pelletier, L.; Calvo, F.; Nault, J. -C.; Zucman-Rossi, J.] IUH, UMR Genom Fonct Tumeurs Solides 1162, INSERM, Paris, France. [Schulze, K.; Imbeaud, S.; Letouze, E.; Calderaro, J.; Rebouissou, S.; Couchy, G.; Meiller, C.; Soysouvanh, F.; Calatayud, A. -L.; Pelletier, L.; Calvo, F.; Nault, J. -C.; Zucman-Rossi, J.] Univ Paris 05, Fac Med, Paris, France. [Schulze, K.; Imbeaud, S.; Letouze, E.; Calderaro, J.; Rebouissou, S.; Couchy, G.; Meiller, C.; Soysouvanh, F.; Calatayud, A. -L.; Pelletier, L.; Calvo, F.; Nault, J. -C.; Zucman-Rossi, J.] Univ Paris 13, Sorbonne Paris Cite, UFR SMBH, Paris, France. [Schulze, K.; Imbeaud, S.; Letouze, E.; Calderaro, J.; Rebouissou, S.; Couchy, G.; Meiller, C.; Soysouvanh, F.; Calatayud, A. -L.; Pelletier, L.; Calvo, F.; Nault, J. -C.; Zucman-Rossi, J.] Univ Paris Diderot, Paris, France. [Alexandrov, L. B.; Stratton, M. R.] Wellcome Trust Sanger Inst, Canc Genome Project, Hinxton, Cambs, England. [Alexandrov, L. B.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM USA. [Calderaro, J.] CHU Henri Mondor, Dept Pathol, AP HP, Paris, France. [Pinyol, R.; Villanueva, A.; Llovet, J. M.] CIBERehd, Liver Unit, HCC Translat Res Lab, Barcelona Clin Liver Canc Grp,Inst Invest Biomed, Barcelona, Spain. [Pinyol, R.; Llovet, J. M.] Hosp Clin Barcelona, Barcelona, Spain. [Balabaud, C.; Blanc, J. -F.; Bioulac-Sage, P.] Univ Bordeaux, UMR 1053, INSERM, Bordeaux, France. [Laurent, A.] CHU Henri Mondor, Dept Digest & Hepatobiliary Surg, Paris, France. [Laurent, A.] AP HP, UMR 955, INSERM, Paris, France. [Blanc, J. -F.] CHU Bordeaux, Hop St Andre, Dept Hepatol, Paris, France. [Mazzaferro, V.] Fdn Ist Tumori, Dept Liver Surg & Transplant, Milan, Italy. [Nault, J. -C.] Hop Univ Paris Seine St Denis, AP HP, Pole Activite Cancerol Specialisee, Serv Hepatol, Paris, France. [Bioulac-Sage, P.] CHU Bordeaux, Pellegrin Hosp, Dept Pathol, Bordeaux, France. [Llovet, J. M.] Mt Sinai Sch Med, Mt Sinai Liver Canc Program, Div Liver Dis, New York, NY USA. [Llovet, J. M.] Inst Catalana Recerca & Estudis Avancats, Barcelona, Spain. [Zucman-Rossi, J.] Hop Europeen Georges Pompidou, AP HP, Paris, France. EM kschulze@uke.de NR 0 TC 0 Z9 0 U1 0 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-8278 EI 1600-0641 J9 J HEPATOL JI J. Hepatol. PD APR PY 2015 VL 62 SU 2 MA G05 BP S189 EP S189 PG 1 WC Gastroenterology & Hepatology SC Gastroenterology & Hepatology GA CS3IZ UT WOS:000361967600006 ER PT J AU Neppl, S Gessner, O AF Neppl, Stefan Gessner, Oliver TI Time-resolved X-ray photoelectron spectroscopy techniques for the study of interfacial charge dynamics SO JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA LA English DT Article DE X-ray photoelectron spectroscopy; Time-resolved; Femtosecond; Picosecond; Free-electron laser; Synchrotron radiation; Ultrafast charge transfer; Dye-sensitized; Semiconductor interfaces; Transient surface photo-voltage ID PHOTOEMISSION ELECTRON-MICROSCOPY; SURFACE PHOTOVOLTAGE TRANSIENTS; CORE-LEVEL PHOTOEMISSION; SYNCHROTRON-RADIATION; ABSORPTION SPECTROSCOPY; COMBINED LASER; SOURCE DRIVEN; RECOMBINATION; ZNO; PULSES AB X-ray photoelectron spectroscopy (XPS) is one of the most powerful techniques to quantitatively analyze the chemical composition and electronic structure of surfaces and interfaces in a non-destructive fashion. Extending this technique into the time domain has the exciting potential to shed new light On electronic and chemical dynamics at surfaces by revealing transient charge configurations with element- and site-specificity. Here, we describe prospects and challenges that are associated with the implementation of picosecond and femtosecond time-resolved X-ray photoelectron spectroscopy at third-generation synchrotrons and X-ray free-electron lasers, respectively. In particular, we discuss a series of laser-pump/X-ray-probe photoemission experiments performed on semiconductor surfaces, molecule-semiconductor interfaces, and films of semiconductor nanoparticles that demonstrate the high sensitivity of time-resolved XPS to light-induced charge carrier generation, diffusion and recombination within the space charge layers of these materials. Employing the showcase example of photo-induced electronic dynamics in a dye-sensitized semiconductor system, we highlight the unique possibility to probe heterogeneous charge transfer dynamics from both sides of an interface, i.e., from the perspective of the molecular electron donor and the semiconductor acceptor, simultaneously. Such capabilities will be crucial to improve our microscopic understanding of interfacial charge redistribution and associated chemical dynamics, which are at the heart of emerging energy conversion, solar fuel generation, and energy storage technologies. Published by Elsevier B.V. C1 [Neppl, Stefan; Gessner, Oliver] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Ultrafast Xray Sci Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Neppl, S (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Ultrafast Xray Sci Lab, Div Chem Sci, Berkeley, CA 94720 USA. EM sneppl@lbl.gov FU Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231]; Department of Energy Office of Science; Alexander von Humboldt foundation; LCLS; Stanford University through the Stanford Institute for Materials Energy Sciences (SIMES); Lawrence Berkeley National Laboratory (LBNL); University of Hamburg through the BMBF [FSP 301]; Center for Free Electron Laser Science (CFEL) FX We would like to thank Andrey Shavorskiy and Hendrik Bluhm for their excellent support during the implementation of the time-resolved XPS setup at beamline 11.0.2 of the Advanced Light Source (ALS). The ALS 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. OG was supported by the Department of Energy Office of Science Early Career Research Program. SN acknowledges support by the Alexander von Humboldt foundation. Portions of this research were carried out on the SXR Instrument at the Linac Coherent Light Source (LCLS), a division of SLAC National Accelerator Laboratory and an Office of Science user facility operated by Stanford University for the U.S. Department of Energy. The SXR Instrument is funded by a consortium whose membership includes the LCLS, Stanford University through the Stanford Institute for Materials Energy Sciences (SIMES), Lawrence Berkeley National Laboratory (LBNL), University of Hamburg through the BMBF priority program FSP 301, and the Center for Free Electron Laser Science (CFEL). NR 97 TC 3 Z9 3 U1 12 U2 27 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0368-2048 EI 1873-2526 J9 J ELECTRON SPECTROSC JI J. Electron Spectrosc. Relat. Phenom. PD APR PY 2015 VL 200 SI SI BP 64 EP 77 DI 10.1016/j.elspec.2015.03.002 PG 14 WC Spectroscopy SC Spectroscopy GA CT2BS UT WOS:000362607600008 ER PT J AU Bagus, PS Sassi, MJ Rosso, KM AF Bagus, Paul S. Sassi, Michel J. Rosso, Kevin M. TI Intermediate coupling for core-level excited states: Consequences for X-Ray absorption spectroscopy SO JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA LA English DT Article DE XAS; NEXAFS; Dipole selection rules; Intermediate angular momentum coupling ID TRANSITION-METALS; SPECTRA; PHOTOEMISSION; ORBITALS AB The origin of the complex NEXAFS features of X-Ray Absorption, XAS, spectra in transition metal complexes is analyzed and interpreted in terms of the angular momentum coupling of the open shell electrons. Especially for excited configurations where a core-electron is promoted to an open valence shell, the angular momentum coupling is intermediate between the two limits of Russell-Saunders, RS, coupling where spin-orbit splitting of the electron shells is neglected and j-j coupling, where this splitting is taken as dominant. The XAS intensities can be understood in terms of two factors: (1) The dipole selection rules that give the allowed excited RS multiplets and (2) the contributions of these allowed multiplets to the wavefunctions of the intermediate coupled levels. It is shown that the origin of the complex XAS spectra is due to the distribution of the RS allowed multiplets over several different intermediate coupled excited levels. The specific case that is analyzed is the L-2,L-3 edge XAS of an Fe3+ cation, because this cation allows a focus on the angular momentum coupling to the exclusion of other effects; e.g., chemical bonding. Arguments are made that the properties identified for this atomic case are relevant for more complex materials. The analysis is based on the properties of fully relativistic, ab initio, many-body wavefunctions for the initial and final states of the XAS process. The wavefunction properties considered include the composition of the wavefunctions in terms of RS multiplets and the occupations of the spin-orbit split open shells; the latter vividly show whether the coupling is j-j or not. (C) 2015 Elsevier B.V. All rights reserved. C1 [Bagus, Paul S.] Univ N Texas, Dept Chem, Denton, TX 76203 USA. [Sassi, Michel J.; Rosso, Kevin M.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Bagus, PS (reprint author), Univ N Texas, Dept Chem, Denton, TX 76203 USA. EM bagus@unt.edu RI Sassi, Michel/A-6080-2011 OI Sassi, Michel/0000-0003-2582-3735 FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences (CSGB) Division through the Geosciences program at Pacific Northwest National Laboratory FX We acknowledge support from the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences (CSGB) Division through the Geosciences program at Pacific Northwest National Laboratory. NR 34 TC 1 Z9 1 U1 2 U2 10 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0368-2048 EI 1873-2526 J9 J ELECTRON SPECTROSC JI J. Electron Spectrosc. Relat. Phenom. PD APR PY 2015 VL 200 SI SI BP 174 EP 180 DI 10.1016/j.elspec.2015.04.021 PG 7 WC Spectroscopy SC Spectroscopy GA CT2BS UT WOS:000362607600014 ER PT J AU Braun, A Nordlund, D Song, SW Huang, TW Sokaras, D Liu, XS Yang, WL Weng, TC Liu, Z AF Braun, Artur Nordlund, Dennis Song, Seung-Wan Huang, Tzu-Wen Sokaras, Dimosthenis Liu, Xiasong Yang, Wanli Weng, Tsu-Chien Liu, Zhi TI Hard X-rays in-soft X-rays out: An operando piggyback view deep into a charging lithium ion battery with X-ray Raman spectroscopy SO JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA LA English DT Article DE Battery; X-ray Raman; Manganese; Soft X-rays; Operando; Lithium; Lithium ID ABSORPTION-SPECTROSCOPY; NEAR-EDGE; SCATTERING; MANGANESE; SITU; VALENCE; CELL; CATHODES; LIMN2O4; STATES AB For lithium intercalation battery electrodes, understanding of the electronic structure of bulk and surface is essential for their operation and functionality. Soft X-rays are excellent probes for such electronic structure information, but soft X-rays are predominantly surface sensitive and thus cannot probe the bulk. Moreover, soft X-rays hardly permit meaningful in situ and operando studies in battery assemblies. We show here how we penetrate with hard X-rays (>10 key) in situ a lithium cell, containing a manganite-based cathode. Through X-ray Raman spectroscopy we extract the Mn 2p multiplet from the entire cathode material, thus obtaining bulk-sensitive electronic structure information during battery charging and discharging. (C) 2015 Elsevier B.V. All rights reserved. C1 [Braun, Artur; Huang, Tzu-Wen] Empa, Swiss Fed Labs Mat Sci & Technol, Lab High Performance Ceram, CH-8600 Dubendorf, Switzerland. [Nordlund, Dennis; Sokaras, Dimosthenis; Weng, Tsu-Chien] SLAC Natl Accelerator Lab, Stanford Synchrotron Radiat Lightsource, Menlo Pk, CA 94720 USA. [Song, Seung-Wan] Chungnam Natl Univ, Dept Fine Chem Engn & Appl Chem, Taejon 305764, South Korea. [Liu, Xiasong; Yang, Wanli; Liu, Zhi] Ernest Orlando Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Braun, A (reprint author), Empa, Swiss Fed Labs Mat Sci & Technol, Lab High Performance Ceram, CH-8600 Dubendorf, Switzerland. EM artur.braun@alumni.ethz.ch RI Yang, Wanli/D-7183-2011; Nordlund, Dennis/A-8902-2008; OI Yang, Wanli/0000-0003-0666-8063; Nordlund, Dennis/0000-0001-9524-6908; BRAUN, Artur/0000-0002-6992-7774 FU Polish-Swiss Research Project LiBeV [PSPB-080/2010]; Fundamental Materials & Components Technology Developing Program of MKE of Korea FX A.B. is grateful to U. Bergmann (SLAC, LCLS) who inspired this experiment. During preparation of the manuscript, A.B. had financial support from the Polish-Swiss Research Project LiBeV(PSPB-080/2010 Positive Electrode Materials for Li ion Batteries for Electric Vehicles Application) during preparation of this manuscript. Portions of this research were carried out at the Stanford Synchrotron Radiation Lightsource, a national user facility operated by Stanford University on behalf of the U.S. Department of Energy, Office of Basic Energy Sciences. We thank Helmholtz Zentrum Berlin for the allocation of synchrotron radiation beamtime at BESSY II. A.B. thanks U. Hintermuller and E. Pieper (both Empa) for the design and manufacturing of the spectro-electrochemical in situ/operando cell. S.W. Song thanks to the Fundamental Materials & Components Technology Developing Program of MKE of Korea for financial support. NR 25 TC 1 Z9 1 U1 6 U2 21 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0368-2048 EI 1873-2526 J9 J ELECTRON SPECTROSC JI J. Electron Spectrosc. Relat. Phenom. PD APR PY 2015 VL 200 SI SI BP 257 EP 263 DI 10.1016/j.elspec.2015.03.005 PG 7 WC Spectroscopy SC Spectroscopy GA CT2BS UT WOS:000362607600023 ER PT J AU Crumlin, EJ Liu, Z Bluhm, H Yang, WL Guo, JH Hussain, Z AF Crumlin, Ethan J. Liu, Zhi Bluhm, Hendrik Yang, Wanli Guo, Jinghua Hussain, Zahid TI X-ray spectroscopy of energy materials under in situ/operando conditions SO JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA LA English DT Article DE Energy science; X-ray spectroscopy; In situ; Operando ID OXIDE ELECTROCHEMICAL-CELLS; IN-SITU; PHOTOELECTRON-SPECTROSCOPY; EMISSION-SPECTROSCOPY; ABSORPTION SPECTROSCOPY; FUEL-CELLS; ELECTRON-SPECTROSCOPY; SYMMETRY-BREAKING; WATER-INTERFACE; LIQUID WATER AB A perspective and brief review of in situ/operando X-ray spectroscopic techniques with focus on energy materials is presented, including discussion on current status, choice of cells and suitable X-ray energy range. Initial discussion focuses on the scientific advancement achieved using ambient pressure X-ray photoelectron spectroscopy (APXPS) at the solid/gas interface, and then progresses through the techniques evolution to probe the liquid/vapor and the emerging solid/liquid interface. This is followed by an overview of soft X-ray adsorption spectroscopy (sXAS) for energy science using both window and windowless cell configurations. Concluding remarks provide a future outlook for where the authors believe these techniques and class of science will progress toward. (C) 2015 Elsevier B.V. All rights reserved. C1 [Crumlin, Ethan J.; Yang, Wanli; Guo, Jinghua; Hussain, Zahid] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Liu, Zhi] Chinese Acad Sci, Shanghai Inst Microsyst & Informat Technol, State Key Lab Funct Mat Informat, Shanghai 200050, Peoples R China. [Liu, Zhi] ShanghaiTech Univ, Sch Phys Sci & Technol, Shanghai 200031, Peoples R China. [Bluhm, Hendrik] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Hussain, Z (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. EM ejcrumlin@lbl.gov; zhussain@lbl.gov RI Liu, Zhi/B-3642-2009; Yang, Wanli/D-7183-2011 OI Liu, Zhi/0000-0002-8973-6561; Yang, Wanli/0000-0003-0666-8063 FU Office of Energy Research, Office of Basic Energy Sciences of the U.S. Department of Energy [DE-AC02-05CH11231]; National Natural Science Foundation of China [11227902] FX The Advanced Light Source and Beamlines 6.3.1.2, 8.0.1, 9.3.1, 9.3.2, 11.0.2 are supported by the Director, Office of Energy Research, Office of Basic Energy Sciences of the U.S. Department of Energy under contracts No. DE-AC02-05CH11231. Z.L. is partially supported by National Natural Science Foundation of China (No. 11227902). NR 89 TC 7 Z9 7 U1 19 U2 71 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0368-2048 EI 1873-2526 J9 J ELECTRON SPECTROSC JI J. Electron Spectrosc. Relat. Phenom. PD APR PY 2015 VL 200 SI SI BP 264 EP 273 DI 10.1016/j.elspec.2015.06.008 PG 10 WC Spectroscopy SC Spectroscopy GA CT2BS UT WOS:000362607600024 ER PT J AU Liu, YS Glans, PA Chuang, CH Kapilashrami, M Guo, JH AF Liu, Yi-Sheng Glans, Per-Anders Chuang, Cheng-Hao Kapilashrami, Mukes Guo, Jinghua TI Perspectives of in situ/operando resonant inelastic X-ray scattering in catalytic energy materials science SO JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA LA English DT Article DE Soft X-ray spectroscopy; Resonant soft X-ray emission spectroscopy; Resonant inelastic soft X-ray scattering; Energy materials; In situ/operando ID OBLIQUE ANGLE CODEPOSITION; ABSORPTION FINE-STRUCTURE; ELECTRONIC-STRUCTURE; EMISSION-SPECTROSCOPY; FLUORESCENCE SPECTROSCOPY; CORE EXCITONS; COBALT; WATER; SPECTRA; EXCITATION AB Growing environmental concerns have renewed the interest for light induced catalytic reactions to synthesize cleaner chemical fuels from syngas. This, however, requires a sound understanding for the dynamics taking place at molecular level as a result of light - matter interaction. We present herein the principles of soft X-ray resonant emission spectroscopy (RXES) and resonant inelastic scattering (RIXS) and the importance of these spectroscopic techniques in materials science in light of their unique ability to emanate characteristic fingerprints on the geometric structure, chemical bonding charge and spin states in addition to chemical sensitivity. The addition of in situ/operando RXES and RTXS capability offers new opportunities to project important material properties and functionalities under conditions nearly identical to the operational modes. (C) 2015 Elsevier B.V. All rights reserved. C1 [Liu, Yi-Sheng; Glans, Per-Anders; Chuang, Cheng-Hao; Kapilashrami, Mukes; Guo, Jinghua] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Chuang, Cheng-Hao] Tamkang Univ, Dept Phys, Tamsui 250, Taiwan. [Kapilashrami, Mukes] Univ Maryland, Dept Mech Engn, Ctr Engn Concepts Dev, College Pk, MD 20742 USA. [Guo, Jinghua] Univ Calif Santa Cruz, Dept Chem & Biochem, Santa Cruz, CA 95064 USA. RP Guo, JH (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. EM jguo@lbl.gov RI Glans, Per-Anders/G-8674-2016 FU Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231]; U.S. Department of Energy [DE-SC0006931] FX The RIXS instrument development and experimental work has been largely benefit from the collaboration with many co-workers from the Department of Physics, Uppsala University, the ALS, CSD, MSD, and PBD of Lawrence Berkeley National Laboratory, who can be found in the references of this review. The work at 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. MK acknowledges additional U.S. Department of Energy funding support under Contract No. DE-SC0006931 NR 113 TC 5 Z9 5 U1 2 U2 18 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0368-2048 EI 1873-2526 J9 J ELECTRON SPECTROSC JI J. Electron Spectrosc. Relat. Phenom. 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PD APR PY 2015 VL 29 SU 1 MA 715.35 PG 1 WC Biochemistry & Molecular Biology; Biology; Cell Biology SC Biochemistry & Molecular Biology; Life Sciences & Biomedicine - Other Topics; Cell Biology GA CS0BT UT WOS:000361722701123 ER PT J AU McGlone, C Falatach, R Nix, J Al-Abdul-Wahid, S Berberich, J Konkolewicz, D Page, R AF McGlone, Cameron Falatach, Rebecca Nix, Jay Al-Abdul-Wahid, Sameer Berberich, Jason Konkolewicz, Dominik Page, Richard TI Protein gRAFTing: a RAFT Polymerization Strategy for Grafting-to and Grafting-from Proteins SO FASEB JOURNAL LA English DT Meeting Abstract CT Experimental Biology Meeting CY MAR 28-APR 01, 2015 CL Boston, MA SP Amer Assoc Anatomists, Amer Physiol Soc, Amer Soc Biochem & Mol Biol, ASIP, ASN, ASPET C1 [McGlone, Cameron; Al-Abdul-Wahid, Sameer; Konkolewicz, Dominik; Page, Richard] Miami Univ, Dept Chem & Biochem, Oxford, OH 45056 USA. [Falatach, Rebecca; Berberich, Jason] Miami Univ, Dept Chem Paper & Biomed Engn, Oxford, OH 45056 USA. 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PD APR PY 2015 VL 29 SU 1 MA LB166 PG 1 WC Biochemistry & Molecular Biology; Biology; Cell Biology SC Biochemistry & Molecular Biology; Life Sciences & Biomedicine - Other Topics; Cell Biology GA CR6PV UT WOS:000361470500165 ER PT J AU Michalska, K Bigelow, L Endres, M Joachimiak, A AF Michalska, Karolina Bigelow, Lance Endres, Michael Joachimiak, Andrzej TI Three-dimensional Domain Swapping in the alpha Subunit of Tryptophan Synthase SO FASEB JOURNAL LA English DT Meeting Abstract C1 [Michalska, Karolina; Bigelow, Lance; Endres, Michael; Joachimiak, Andrzej] Argonne Natl Lab, Midwest Ctr, Struct Genom Biosci Div, Argonne, IL 60439 USA. [Michalska, Karolina; Joachimiak, Andrzej] Argonne Natl Lab, Struct Biol Ctr, Biosci Div, Argonne, IL 60439 USA. NR 0 TC 0 Z9 0 U1 2 U2 2 PU FEDERATION AMER SOC EXP BIOL PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0892-6638 EI 1530-6860 J9 FASEB J JI Faseb J. PD APR PY 2015 VL 29 SU 1 MA LB215 PG 1 WC Biochemistry & Molecular Biology; Biology; Cell Biology SC Biochemistry & Molecular Biology; Life Sciences & Biomedicine - Other Topics; Cell Biology GA CR6PV UT WOS:000361470500213 ER PT J AU Morais, D Pylro, V Totola, M AF Morais, Daniel Pylro, Victor Totola, Marcos TI Microbial Community Responses to Toxic Hydrocarbon Exposure SO FASEB JOURNAL LA English DT Meeting Abstract C1 [Morais, Daniel; Totola, Marcos] Univ Fed Vicosa, Microbiol, Vicosa, MG, Brazil. [Pylro, Victor] Argonne Natl Lab, Ecol & Evolut, Argonne, IL 60439 USA. NR 0 TC 0 Z9 0 U1 1 U2 1 PU FEDERATION AMER SOC EXP BIOL PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0892-6638 EI 1530-6860 J9 FASEB J JI Faseb J. PD APR PY 2015 VL 29 SU 1 MA LB169 PG 1 WC Biochemistry & Molecular Biology; Biology; Cell Biology SC Biochemistry & Molecular Biology; Life Sciences & Biomedicine - Other Topics; Cell Biology GA CR6PV UT WOS:000361470500168 ER PT J AU Rempe, S Vanegas, J Anishkin, A Rogers, D Sukharev, S AF Rempe, Susan Vanegas, Juan Anishkin, Andriy Rogers, David Sukharev, Sergei TI Active Role of the Substrate During Catalysis by the Therapeutic Enzyme L-Asparaginase II SO FASEB JOURNAL LA English DT Meeting Abstract C1 [Rempe, Susan; Vanegas, Juan] Sandia Natl Labs, Ctr Biol & Mat Sci, Livermore, CA 94550 USA. [Anishkin, Andriy; Sukharev, Sergei] Univ Maryland, Dept Biol, Baltimore, MD USA. [Rogers, David] Univ S Florida, Dept Chem, Tampa, FL 33620 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU FEDERATION AMER SOC EXP BIOL PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0892-6638 EI 1530-6860 J9 FASEB J JI Faseb J. PD APR PY 2015 VL 29 SU 1 MA 573.51 PG 1 WC Biochemistry & Molecular Biology; Biology; Cell Biology SC Biochemistry & Molecular Biology; Life Sciences & Biomedicine - Other Topics; Cell Biology GA CR6PV UT WOS:000361470504250 ER PT J AU Touchette, M Bommineni, G Delle Bovi, R Gadbery, J Metz, T Martin, D Sampson, N Miller, T Tonge, P Seeliger, J AF Touchette, Megan Bommineni, Gopal Delle Bovi, Richard Gadbery, John Metz, Thomas Martin, Dwight Sampson, Nicole Miller, Todd Tonge, Peter Seeliger, Jessica TI Diacyltransferase Activity and Chain Length Specificity of Mtb PapA5 in Synthesis of Alkyl Beta-Diol Lipids SO FASEB JOURNAL LA English DT Meeting Abstract C1 [Touchette, Megan; Bommineni, Gopal; Sampson, Nicole; Tonge, Peter] SUNY Stony Brook, Chem, Stony Brook, NY 11794 USA. [Delle Bovi, Richard; Gadbery, John] SUNY Stony Brook, Biochem & Cellular Biol, Stony Brook, NY 11794 USA. [Metz, Thomas] Pacific NW Natl Lab, Biol Sci, Richland, WA 99352 USA. [Martin, Dwight] SUNY Stony Brook, Prote Ctr, Stony Brook, NY 11794 USA. [Miller, Todd] SUNY Stony Brook, Physiol & Biophys, Stony Brook, NY 11794 USA. [Seeliger, Jessica] SUNY Stony Brook, Pharmacol Sci, Stony Brook, NY 11794 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU FEDERATION AMER SOC EXP BIOL PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0892-6638 EI 1530-6860 J9 FASEB J JI Faseb J. PD APR PY 2015 VL 29 SU 1 MA 573.50 PG 1 WC Biochemistry & Molecular Biology; Biology; Cell Biology SC Biochemistry & Molecular Biology; Life Sciences & Biomedicine - Other Topics; Cell Biology GA CR6PV UT WOS:000361470504249 ER PT J AU Shoemaker, MA Wohlberg, B Koller, J AF Shoemaker, Michael A. Wohlberg, Brendt Koller, Josef TI Atmospheric Density Reconstruction Using Satellite Orbit Tomography SO JOURNAL OF GUIDANCE CONTROL AND DYNAMICS LA English DT Article ID DRAG; MODEL; ACCURACY AB Improved thermospheric neutral density models are required for the reduction of orbit prediction errors for satellites experiencing atmospheric drag. This research describes a new method for estimating density using a tomography-based approach, inspired by X-ray computed tomography from the medical imaging field. The change in specific mechanical energy of the orbit, which is related to the integrated drag acceleration over the orbit, is used as the measurement. Using several such measurements from a number of satellites, one can estimate a spatially resolved multiplicative correction to a reference density model. The problem considered here uses simulated measurements from 50 low-Earth-orbit satellites and solves for the correction factor discretized over 324 grid elements, spanning 300 to 500km altitude. This ill-posed problem is solved using Tikhonov regularization, with the three-dimensional gradient as the regularization operator, resulting in a penalty on the spatial smoothness of the estimated density. Simulation results show that the true time-averaged density can be reconstructed to within approximately 10%, using only assumed ground-based tracking measurements separated over 12h. C1 [Shoemaker, Michael A.; Wohlberg, Brendt; Koller, Josef] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Shoemaker, MA (reprint author), Space Sci & Applicat ISR 1, POB 1663,Mail Stop D466, Los Alamos, NM USA. RI Wohlberg, Brendt/M-7764-2015 OI Wohlberg, Brendt/0000-0002-4767-1843 FU U.S. Department of Energy; Los Alamos National Laboratory Directed Research and Development program FX This work was conducted under the auspices of the U.S. Department of Energy, with support from the Los Alamos National Laboratory Directed Research and Development program. We thank Humberto Godinez and Andrew Walker of the Los Alamos National Laboratory for generating the global ionosphere-thermosphere model and NRLMSISE-00 atmospheric density data used in this study. We also thank David Palmer of the Los Alamos National Laboratory for valuable discussions leading to the insight regarding the specific mechanical energy of the orbit, and Richard Linares of LANL for valuable inputs regarding measurement error. Finally, we thank the two anonymous reviewers for their careful reading and thoughtful comments on this paper. NR 46 TC 0 Z9 0 U1 0 U2 2 PU AMER INST AERONAUTICS ASTRONAUTICS PI RESTON PA 1801 ALEXANDER BELL DRIVE, STE 500, RESTON, VA 22091-4344 USA SN 0731-5090 EI 1533-3884 J9 J GUID CONTROL DYNAM JI J. Guid. Control Dyn. PD APR PY 2015 VL 38 IS 4 BP 685 EP 698 DI 10.2514/1.G000088 PG 14 WC Engineering, Aerospace; Instruments & Instrumentation SC Engineering; Instruments & Instrumentation GA CQ0BZ UT WOS:000360261400013 ER PT J AU Cooke, D Halberkann, M Matzenauer, C Buchholz, B Dreier, R Beseoglu, K Lawton, MT Kim, H Su, H Macdonald, RL Etminan, N AF Cooke, D. Halberkann, M. Matzenauer, C. Buchholz, B. Dreier, R. Beseoglu, K. Lawton, M. T. Kim, H. Su, H. Macdonald, R. L. Etminan, N. TI The age of elastin in human cerebral arteries and cerebral arterio-venous malformations SO INTERNATIONAL JOURNAL OF STROKE LA English DT Meeting Abstract C1 [Cooke, D.] Univ Calif San Francisco, Radiol, San Francisco, CA 94143 USA. [Halberkann, M.; Beseoglu, K.; Etminan, N.] Univ Dusseldorf, Neurosurg, Dusseldorf, Germany. [Matzenauer, C.] Univ Dusseldorf, Forens Med, Dusseldorf, Germany. [Buchholz, B.] Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry, Livermore, CA 94550 USA. [Dreier, R.] Univ Munster, Physiol Chem & Pathobiochem, D-48149 Munster, Germany. [Lawton, M. T.] Univ Calif San Francisco, Neurosurg, San Francisco, CA 94143 USA. [Kim, H.] Univ Calif San Francisco, Anesthesia, San Francisco, CA 94143 USA. [Su, H.] Univ Calif San Francisco, Cerebrovasc Res Ctr, San Francisco, CA 94143 USA. [Macdonald, R. L.] Univ Toronto, Neurosurg, Toronto, ON, Canada. NR 0 TC 0 Z9 0 U1 1 U2 1 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1747-4930 EI 1747-4949 J9 INT J STROKE JI Int. J. Stroke PD APR PY 2015 VL 10 SU 2 SI SI MA ESOC-0958 BP 35 EP 36 PG 2 WC Peripheral Vascular Disease SC Cardiovascular System & Cardiology GA CO6YP UT WOS:000359304000079 ER PT J AU Rivin, O Broide, A Maskova, S Lucas, MS Hen, A Orion, I Salhov, S Shandalov, M Dos Santos, AM Molaison, J Chen, ZQ Halevy, I AF Rivin, Oleg Broide, Amir Maskova, Silvie Lucas, Matthew S. Hen, Amir Orion, Itzhak Salhov, Shai Shandalov, Michael Dos Santos, Antonio Moreira Molaison, Jamie Chen, Zhiqiang Halevy, Itzhak TI High pressure neutron powder diffraction study of Fe1-xCrx with and without hydrogen exposure SO HYPERFINE INTERACTIONS LA English DT Proceedings Paper CT 5th Joint International Conference on Hyperfine Interactions / International Symposium on Nuclear Quadrupole Interactions (HFI/NQI) CY SEP 21-26, 2014 CL Canberra, AUSTRALIA DE High-Pressure; Neutron diffraction; Fe-Cr; Hydrogen exposure AB The crystal structure of Fe1-xCrx(x = 0, 0.2 and 0.4) materials, with and without exposure to Hydrogen, is investigated using neutron powder diffraction under the applied external high-pressure. Above a certain applied pressure, P-C, a structural phase transition, from cubic to hexagonal symmetry, is observed, in agreement with previous x-ray diffraction results. The P-C values exhibit an increase with x increase. The possibility for an evolution of a magnetic structure with pressure, x and Hydrogen exposure, is examined. Finally, a broadening of the angular profile of the (200) reflection (cubic phase) is identified and reported. C1 [Rivin, Oleg; Broide, Amir; Salhov, Shai; Shandalov, Michael; Halevy, Itzhak] Nucl Res Ctr Negev, Dept Phys, IL-84190 Beer Sheva, Israel. [Broide, Amir; Hen, Amir; Orion, Itzhak; Halevy, Itzhak] Ben Gurion Univ Negev, Dept Nucl Engn, IL-84105 Beer Sheva, Israel. [Maskova, Silvie] Charles Univ Prague, Fac Math & Phys, Dept Condensed Matter Phys, CR-12116 Prague 2, Czech Republic. [Lucas, Matthew S.] Air Force Res Lab, Dayton, OH USA. [Hen, Amir] European Commiss, Inst Transuranium Elements, Joint Res Ctr, Fundamental Actinides Res, D-76125 Karlsruhe, Germany. [Dos Santos, Antonio Moreira; Molaison, Jamie] Oak Ridge Natl Lab, Spallat Neutron Source, Oak Ridge, TN USA. [Chen, Zhiqiang] Brookhaven Natl Lab, NSLS, Upton, NY 11973 USA. RP Rivin, O (reprint author), Nucl Res Ctr Negev, Dept Phys, POB 9001, IL-84190 Beer Sheva, Israel. EM drorivin@gmail.com RI dos Santos, Antonio/A-5602-2016 OI dos Santos, Antonio/0000-0001-6900-0816 NR 7 TC 0 Z9 0 U1 1 U2 5 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0304-3843 J9 HYPERFINE INTERACT JI Hyperfine Interact. PD APR PY 2015 VL 230 IS 1-3 BP 29 EP 36 DI 10.1007/s10751-014-1104-x PG 8 WC Physics, Atomic, Molecular & Chemical; Physics, Condensed Matter; Physics, Nuclear SC Physics GA CF0FI UT WOS:000352218000006 ER PT J AU Antipov, SP Baryshev, SV Butler, JE Jing, C Kanareykin, AD Schoessow, P Conde, M Gai, W Power, JG Stoupin, S AF Antipov, S. P. Baryshev, S. V. Butler, J. E. Jing, C. Kanareykin, A. D. Schoessow, P. Conde, M. Gai, W. Power, J. G. Stoupin, S. TI RF breakdown test of diamond-loaded resonator for high gradient wakefield accelerator applications SO DIAMOND AND RELATED MATERIALS LA English DT Article; Proceedings Paper CT New Diamond and Nano Carbons Conference (NDNC-14) CY MAY 25-29, 2014 CL Chicago, IL DE Linac; Wakefield; Diamond; Breakdown; Scanning electron microscopy; X-ray topography AB Dielectric-loaded accelerating structures (DLAs) for wakefield applications are an alternative to conventional corrugated metal structures. These structures have simple geometry, scale up to THz frequencies, and feature higher breakdown threshold. Diamond has been proposed as a loading material for DLAs due to a number of its unique thermal, microwave, and electrical properties. In this paper we report results of a wakefield breakdown test of a single crystal diamond resonator. A large, 72 nC. charge beam with 2.5 mm length, 8.6 kA peak current was transmitted through a diamond-loaded parallel plate resonator, and induced a standing wave with a 70 MV/m electric field strength. One of the diamond plates had a laser cut, 20 mu m wide and 200 mu m deep groove, that provided an additional similar to 5-fold field enhancement at edges of the groove resulting in an electric gradient as high as 0.3 GV/m on the surface of the groove. SEM and x-ray topography analyses before and after the test did not reveal any structural damage to the diamond resonator plates. This corroborates further promotion of diamond for high gradient wakefield acceleration at high repetition rates. (C) 2014 Elsevier B.V. All rights reserved. C1 [Antipov, S. P.; Baryshev, S. V.; Butler, J. E.; Jing, C.; Kanareykin, A. D.; Schoessow, P.] Euclid TechLabs, Bolingbrook, IL 60440 USA. [Conde, M.; Gai, W.; Power, J. G.] Argonne Natl Lab, Div High Energy Phys, Argonne, IL 60439 USA. [Stoupin, S.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Antipov, SP (reprint author), Euclid TechLabs, Bolingbrook, IL 60440 USA. EM s.antipov@euclidtechlabs.com; sergey.v.baryshev@gmail.com RI Butler, James/B-7965-2008 OI Butler, James/0000-0002-4794-7176 FU U.S. DOE [DE-AC02-06CH11357]; Electron Microscopy Center at Argonne National Laboratory, a U.S. Department of Energy Office of Science Laboratory [DE-AC02-06CH11357]; DOE SBIR program [DE-FG02-08ER85033]; Russian Government [14.B25.31.0021]; IAP RAS [14.B25.31.0021] FX We thank Jiahang Shao (Tsinghua University, AWA) for providing us with the Cu sample from his breakdown tests. Use of the Advanced Photon Source, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science by Argonne National Laboratory, was supported by the U.S. DOE under Contract No. DE-AC02-06CH11357. The electron microscopy was accomplished at the Electron Microscopy Center at Argonne National Laboratory, a U.S. Department of Energy Office of Science Laboratory operated under Contract No. DE-AC02-06CH11357 by UChicago Argonne, LLC. Euclid Techlabs acknowledges support from the DOE SBIR program Grant No. DE-FG02-08ER85033. This work was partially supported by Act 220 of the Russian Government (Agreement no. 14.B25.31.0021 with the host organization IAP RAS). NR 8 TC 1 Z9 1 U1 3 U2 12 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-9635 EI 1879-0062 J9 DIAM RELAT MATER JI Diam. Relat. Mat. PD APR PY 2015 VL 54 BP 15 EP 18 DI 10.1016/j.diamond.2014.10.013 PG 4 WC Materials Science, Multidisciplinary SC Materials Science GA CN6RC UT WOS:000358560900004 ER PT J AU Skoog, SA Miller, PR Boehm, RD Sumant, AV Polsky, R Narayan, RJ AF Skoog, Shelby A. Miller, Philip R. Boehm, Ryan D. Sumant, Anirudha V. Polsky, Ronen Narayan, Roger J. TI Nitrogen-incorporated ultrananocrystalline diamond microneedle arrays for electrochemical biosensing SO DIAMOND AND RELATED MATERIALS LA English DT Article; Proceedings Paper CT New Diamond and Nano Carbons Conference (NDNC-14) CY MAY 25-29, 2014 CL Chicago, IL DE Nanocrystalline diamond; Microneedles; Electrochemistry; Biosensor ID NANOCRYSTALLINE DIAMOND; DOPED DIAMOND; THIN-FILMS; RAMAN-SPECTROSCOPY; ELECTRODES; ELECTROOXIDATION; PREDICTION; INTERFACES; OXIDATION; DOPAMINE AB Microneedles are minimally invasive transdermal medical devices that are utilized for various applications, including drug delivery, fluid sampling, micro-dialysis, and electrochemical sensing. These devices are associated with less pain and tissue damage as compared with conventional hypodermic needle-based devices. In this study, we demonstrate fabrication of titanium alloy microneedle arrays with nitrogen-incorporated ultrananocrystalline diamond (N-UNCD) coatings. Microneedles were micromachined from ASTM F136 ELI Ti-6Al-4V alloy, a widely used medical-grade titanium alloy. N-UNCD coatings were deposited on the microneedles using microwave plasma enhanced chemical vapor deposition to enhance mechanical strength, increase hardness, improve biocompatibility, and provide an electrochemically stable surface. The structural and chemical properties of the N-UNCD titanium alloy microneedle arrays were evaluated using scanning electron microscopy and Raman spectroscopy. The mechanical robustness and skin penetration capability of the devices were demonstrated using cadaveric porcine skin. Finally, the electrochemical properties of the N-UNCD electrodes were evaluated: in vitro electrochemical detection of uric acid and dopamine was demonstrated using unmodified N-UNCD electrodes. These results demonstrate the application potential of N-UNCD-coated titanium alloy microneedles for transdermal (C) 2014 Elsevier B.V. All rights reserved. C1 [Skoog, Shelby A.; Miller, Philip R.; Boehm, Ryan D.; Narayan, Roger J.] Univ N Carolina, Joint Dept Biomed Engn, Raleigh, NC USA. [Miller, Philip R.; Polsky, Ronen] Sandia Natl Labs, Dept Riosensors & Nanomat, Albuquerque, NM 87185 USA. [Sumant, Anirudha V.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Narayan, RJ (reprint author), Univ N Carolina, Joint Dept Biomed Engn, 911 Oval Dr,Box 7115, Raleigh, NC 27695 USA. EM roger_narayan@msn.com FU NSF [936110]; U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX One of the authors (SAS) was supported in part by NSF Award #936110. 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 48 TC 9 Z9 9 U1 11 U2 39 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-9635 EI 1879-0062 J9 DIAM RELAT MATER JI Diam. Relat. Mat. PD APR PY 2015 VL 54 BP 39 EP 46 DI 10.1016/j.diamond.2014.11.016 PG 8 WC Materials Science, Multidisciplinary SC Materials Science GA CN6RC UT WOS:000358560900008 ER PT J AU Berman, D Erdemir, A Zinovev, AV Sumant, AV AF Berman, Diana Erdemir, Ali Zinovev, Alexander V. Sumant, Anirudha V. TI Nanoscale friction properties of graphene and graphene oxide SO DIAMOND AND RELATED MATERIALS LA English DT Article; Proceedings Paper CT New Diamond and Nano Carbons Conference (NDNC-14) CY MAY 25-29, 2014 CL Chicago, IL DE AFM lateral force; Friction; Oxidation; Adhesion ID SLIDING STEEL SURFACES; FEW-LAYER GRAPHENE; RAMAN-SPECTROSCOPY; LUBRICANT; ADHESION; AREA; WEAR AB Achieving superlow friction and wear at the micro/nano-scales through the uses of solid and liquid lubricants may allow superior performance and long-lasting operations in a range of micromechanical system including micro-electro mechanical systems (MEMS). Previous studies have indicated that conventional solid lubricants such as highly ordered pyrolitic graphite (HOPG) can only afford low friction in humid environments at micro/macro scales: however, HOPG is not suitable for practical micro-scale applications. In this study, we explored the nano-scale frictional properties of multi-layered graphene films as a potential solid lubricant for such applications. Atomic force microscopy (AFM) measurements have revealed that for high-purity multilayered graphene (7-9 layers), the friction force is significantly lower than what can be achieved by the use of HOPG, regardless of the counterpart AFM tip material. We have demonstrated that the quality and purity of multilayered graphene plays an important role in reducing lateral forces, while oxidation of graphene results in dramatically increased friction values. Also, for the first time, we demonstrated the possibility of achieving ultralow friction for CVD grown single layer graphene on silicon dioxide. This confirms that the deposition process insures a stronger adhesion to substrate and hence enables superior tribological performance than the previously reported mechanical exfoliation processes. (C) 2014 Elsevier B.V. All rights reserved. C1 [Berman, Diana; Sumant, Anirudha V.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [Erdemir, Ali] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA. [Zinovev, Alexander V.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Sumant, AV (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA. EM sumant@anl.gov FU U. S. Department of Energy, Office of Science. Office of Basic Energy Sciences [DE-AC02-06CH11357]; U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division 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. XPS study was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division. The authors are grateful to D. Grierson for helpful discussions. NR 29 TC 11 Z9 11 U1 25 U2 106 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-9635 EI 1879-0062 J9 DIAM RELAT MATER JI Diam. Relat. Mat. PD APR PY 2015 VL 54 BP 91 EP 96 DI 10.1016/j.diamond.2014.10.012 PG 6 WC Materials Science, Multidisciplinary SC Materials Science GA CN6RC UT WOS:000358560900015 ER PT J AU Chen, JZ Wu, DX Walter, E Engelhard, M Bhattacharya, P Pan, HL Shao, YY Gao, F Xiao, J Liu, J AF Chen, Junzheng Wu, Dangxin Walter, Eric Engelhard, Mark Bhattacharya, Priyanka Pan, Huilin Shao, Yuyan Gao, Fei Xiao, Jie Liu, Jun TI Molecular-confinement of polysulfides within mesoscale electrodes for the practical application of lithium sulfur batteries SO NANO ENERGY LA English DT Article DE Nitrogen doped carbon; Sulfur cathode; Multi-walled carbon nanotubes; Thick electrode; Lithium sulfur battery ID AUGMENTED-WAVE METHOD; LI-S BATTERIES; GRAPHENE OXIDE; LONG-LIFE; PERFORMANCE; CATHODE; CARBON; COMPOSITE; FRAMEWORK; GROWTH AB Nitrogen-doped porous carbon (NPC) and multi-wall carbon nanotubes (MWCNT) have been frequently studied to immobilize sulfur in lithium sulfur (Li-S) batteries. However, neither NPC nor MWCNT itself can effectively confine the soluble polysufides if cathode thickness e.g. sulfur loading is increased. In this work, NPC was combined with MWCNTs to construct an integrated host structure to immobilize sulfur at a relevant scale. The function of doped nitrogen atoms was revisited and found to effectively attract sulfur radicals generated during the electrochemical process. The addition of MWCNT facilitated the uniform coating of sulfur nanocomposites to a practically thickness and homogenized the distribution of sulfur particles in the pristine electrodes, while NPC provided sufficient pore volume to trap the dissolved polysulfides species. More importantly, the difficulty of electrode wetting, a critical challenge for thick sulfur cathodes, is also mitigated after the adoption of MWCNT, leading to a high areal capacity of ca. 2.5 mA h/cm(2) with a capacity retention of 81.6% over 100 cycles. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Chen, Junzheng; Wu, Dangxin; Walter, Eric; Engelhard, Mark; Bhattacharya, Priyanka; Pan, Huilin; Shao, Yuyan; Gao, Fei; Xiao, Jie; Liu, Jun] Pacific NW Natl Lab, Joint Ctr Energy Storage Res, Richland, WA 99354 USA. RP Liu, J (reprint author), Pacific NW Natl Lab, Joint Ctr Energy Storage Res, Richland, WA 99354 USA. EM Jun.liu@pnnl.gov RI Pan, Huilin/J-9298-2016; Walter, Eric/P-9329-2016; OI Engelhard, Mark/0000-0002-5543-0812 FU Joint Center for Energy Storage Research (JCESR), an Energy Innovation Hub - U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences (BES); U.S. Department of Energy's Office of Biological and Environmental Research FX This work was supported by the Joint Center for Energy Storage Research (JCESR), an Energy Innovation Hub funded by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences (BES). The EPR, XPS, and SEM analyses were performed in the Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by the U.S. Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory (PNNL). NR 43 TC 11 Z9 11 U1 13 U2 69 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 2211-2855 EI 2211-3282 J9 NANO ENERGY JI Nano Energy PD APR PY 2015 VL 13 BP 267 EP 274 DI 10.1016/j.nanoen.2015.01.031 PG 8 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CN4QI UT WOS:000358414700027 ER PT J AU Chen, CF King, G Dickerson, RM Papin, PA Gupta, S Kellogg, WR Wu, G AF Chen, Ching-Fong King, Graham Dickerson, Robert M. Papin, Pallas A. Gupta, Shiva Kellogg, William R. Wu, Gang TI Oxygen-deficient BaTiO3-x perovskite as an efficient bifunctional oxygen electrocatalyst SO NANO ENERGY LA English DT Article DE Oxygen-deficient; BaTiO3-x; Nanoparticles; Perovskite; Bifunctional catalysts; Oxygen reactions ID NONPRECIOUS METAL CATALYST; NITROGEN-DOPED GRAPHENE; FUEL-CELLS; CATHODE CATALYSTS; REDUCTION REACTION; WATER OXIDATION; PERFORMANCE DURABILITY; NANOSTRUCTURED CARBON; EVOLUTION REACTION; ALKALINE MEDIA AB Perovskite oxide catalysts have emerged as the most promising bifunctional oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) catalysts for electrochemical energy conversion and storage. In this work, a new type of oxygen-deficient BaTiO3-x has been synthesized using a solgel method followed by a reductive heat treatment at 1300 degrees C in vacuum. The prepared perovskite nanoparticles have an average particle size on the order of 100 nm with uniform size distribution. X-ray diffraction shows that this perovskite catalyst consists of a significant amount of hexagonal BaTiO3-x. State-of-the-art IrO2 nanoparticles were also prepared in this work, which were used for reference and has excellent OER activity. Importantly, the oxygen-deficient perovskite catalysts exhibited high catalytic activity simultaneously for the ORR and the OER in alkaline electrolyte. The more challenged OER activity measured with the perovskite exceeds the IrO2 catalyst at relatively low potentials (<1.6 V) evidenced by a much reduced onset potential (1.32 V) and increased current density. In order to clearly elucidate the structure of the oxygen-deficient BaTiO3-x catalysts, X-ray and neutron diffraction experiments were further carried out, indicating that the hexagonal phase in the best performing BaTiO3-x catalyst is oxygen-deficient with a stoichiometry of BaTiO2.76. The oxygen vacancies in the perovskite crystal structure may lead to vastly enhanced electrocatalytic activity toward the ORR and OER. This work demonstrates a new type of highly efficient perovskite bifunctional catalyst for electrochemical energy technologies relying on oxygen electrocatalysis. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Chen, Ching-Fong; King, Graham; Dickerson, Robert M.; Papin, Pallas A.] Los Alamos Natl Lab, Mat Sci & Technol Div, Los Alamos, NM 87545 USA. [Gupta, Shiva; Kellogg, William R.; Wu, Gang] SUNY Buffalo, Dept Chem & Biol Engn, Buffalo, NY 14260 USA. RP Chen, CF (reprint author), Los Alamos Natl Lab, Mat Sci & Technol Div, POB 1663, Los Alamos, NM 87545 USA. EM cchen@lanl.gov; gangwu@buffalo.edu RI King, Graham/E-3632-2010; Wu, Gang/E-8536-2010 OI King, Graham/0000-0003-1886-7254; Wu, Gang/0000-0003-4956-5208 FU New York State Center of Excellence in Materials Informatics; University at Buffalo, SUNY FX G.W. gratefully acknowledge financial support from the New York State Center of Excellence in Materials Informatics and startup funds from the University at Buffalo, SUNY. NR 53 TC 26 Z9 26 U1 31 U2 148 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 2211-2855 EI 2211-3282 J9 NANO ENERGY JI Nano Energy PD APR PY 2015 VL 13 BP 423 EP 432 DI 10.1016/j.nanoen.2015.03.005 PG 10 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CN4QI UT WOS:000358414700044 ER PT J AU Kuttiyiel, KA Choi, Y Hwang, SM Park, GG Yang, TH Su, D Sasaki, K Liu, P Adzic, RR AF Kuttiyiel, Kurian A. Choi, YongMan Hwang, Sun-Mi Park, Gu-Gon Yang, Tae-Hyun Su, Dong Sasaki, Kotaro Liu, Ping Adzic, Radoslav R. TI Enhancement of the oxygen reduction on nitride stabilized pt-M (M=Fe, Co, and Ni) core-shell nanoparticle electrocatalysts SO NANO ENERGY LA English DT Article DE Core-shell nanoparticle; Nitride; Oxygen reduction; Electrocatalysis; Fuel cell; DFT ID FUEL-CELLS; ALLOYS; CATALYSTS; SURFACES; DESIGN; FE AB Given the harsh operating conditions in hydrogen/oxygen fuel cells, the stability of catalysts is one of the critical questions affecting their commercialization. We describe a distinct class of oxygen reduction (ORR) core-shell electrocatalysts comprised of nitride metal cores enclosed by thin Pt shells that is easily synthesized. The synthesis is reproducible and amenable to scale up. Our theoretical analysis and the experimental data indicate that metal nitride nanoparticle cores could significantly enhance the ORR activity as well as the durability of the core-shell catalysts as a consequence of combined geometrical, electronic and segregation effects on the Pt shells. In addition to its fuel cells application, this class of catalysts holds promise to significantly contribute in resolving the problem of platinum scarcity and furthermore indicates the guidelines for future research and development. Published by Elsevier Ltd. C1 [Kuttiyiel, Kurian A.; Sasaki, Kotaro; Liu, Ping; Adzic, Radoslav R.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Su, Dong] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. [Choi, YongMan] SAB Technol Ctr, Riyadh 11551, Saudi Arabia. [Hwang, Sun-Mi; Park, Gu-Gon; Yang, Tae-Hyun] Korea Inst Energy Res, Fuel Cell Res Ctr, Taejon 305343, South Korea. RP Park, GG (reprint author), Korea Inst Energy Res, Fuel Cell Res Ctr, Taejon 305343, South Korea. EM gugon@kier.re.kr; ksasaki@bnl.gov; adzic@bnl.gov RI Su, Dong/A-8233-2013 OI Su, Dong/0000-0002-1921-6683 FU US Department of Energy, Office of Basic Energy Science, Material Science and Engineering Division, Division of Chemical Sciences, Geosciences and Biosciences Division [DE-AC02-98CH10886]; Synchrotron Catalysis Consortium; US Department of Energy [DE-FG02-05ER15688]; KIER's (Korea Institute of Energy Research) Research and Development Program [B4-2423]; National Energy Research Scientific Computing Center [DE-AC02-05CH11231] FX This research was performed at Brookhaven National laboratory under contract DE-AC02-98CH10886 with the US Department of Energy, Office of Basic Energy Science, Material Science and Engineering Division, Division of Chemical Sciences, Geosciences and Biosciences Division. Beam lines X18A at the NSLS are supported in part by the Synchrotron Catalysis Consortium, US Department of Energy Grant no DE-FG02-05ER15688. This work was also conducted under the framework of KIER's (Korea Institute of Energy Research) Research and Development Program (B4-2423). DFT calculations were performed at KAUST Supercomputing Laboratory and the National Energy Research Scientific Computing Center (Contract no. DE-AC02-05CH11231). NR 34 TC 25 Z9 25 U1 35 U2 162 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 2211-2855 EI 2211-3282 J9 NANO ENERGY JI Nano Energy PD APR PY 2015 VL 13 BP 442 EP 449 DI 10.1016/j.nanoen.2015.03.007 PG 8 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CN4QI UT WOS:000358414700046 ER PT J AU Chen, B Zheng, X Yang, M Zhou, Y Kundu, S Shi, J Zhu, K Priya, S AF Chen, Bo Zheng, Xiaojia Yang, Mengjin Zhou, Yuan Kundu, Souvik Shi, Jian Zhu, Kai Priya, Shashank TI Interface band structure engineering by ferroelectric polarization in perovskite solar cells SO NANO ENERGY LA English DT Article DE Ferroelectric polarization; Band structure; Hysteretic behavior; Organometal halide perovskite; Solar cells ID HIGH-PERFORMANCE; PIEZOELECTRIC MATERIALS; THIN-FILMS; HYSTERESIS; EFFICIENCY; CH3NH3PBI3; BIFEO3; SEPARATION; ABSORBER; VOLTAGE AB We demonstrate the presence of ferroelectric domains in CH(3)NH(3)Pb1(3) by piezoresponse force microscopy and quantify the coercive field to the switching of the polarization of ferroelectric CH(3)NH(3)Pb1(3). For CH(3)NH(3)Pb1(3) perovskite solar cell, negative electric poling decreases the net built-in electric field, driving potential and width of depletion region inside the absorber layer, which hinders charge separation and deteriorates photovoltaic performance; while positive poling boosts these electrostatic parameters and therefore improves the charge separation inside the absorber. Low coercive field (8 kV/cm) enables the switching of CH(3)NH(3)Pb1(3) polarization during the current density-voltage (J-V) measurement. Forward scan initially activates the negative poling, whereas reverse scan first activates the positive poling, which can lead to the J-V hysteretic behavior. Comparative analysis with a traditional ferroelectric 0.25BaTiO(3)-0.75BiFeO(3) solar cell is conducted to confirm the impact of ferroelectric polarization and J-V scanning direction on photovoltaic performance. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Chen, Bo; Zheng, Xiaojia; Zhou, Yuan; Kundu, Souvik; Priya, Shashank] Virginia Tech, Ctr Energy Harvesting Mat & Syst, Blacksburg, VA 24061 USA. [Yang, Mengjin; Zhu, Kai] Natl Renewable Energy Lab, Chem & Nanosci Ctr, Golden, CO 80401 USA. [Shi, Jian] Rensselaer Polytech Inst, Dept Mat Sci & Engn, Troy, NY 12180 USA. RP Chen, B (reprint author), Virginia Tech, Ctr Energy Harvesting Mat & Syst, Blacksburg, VA 24061 USA. EM bochen09@vt.edu; kai.zhu@nrel.gov; spriya@vt.edu OI Zheng, Xiaojia/0000-0002-3963-4073; Yang, Mengjin/0000-0003-2019-4298 FU US Army [W15P7T-13-C-A910]; U.S. Department of Energy [DE-AC36-08-GO28308]; U.S. Department of Energy (DOE)SunShot Initiative under the Next Generation Photovoltaics 3 program [DE-FOA-0000990] FX The authors gratefully acknowledge the financial support through US Army under Contract no. W15P7T-13-C-A910. The work at the National Renewable Energy Laboratory was supported by the U.S. Department of Energy under Contract no. DE-AC36-08-GO28308. K.Z. and M.Y. acknowledge the support by the U.S. Department of Energy (DOE)SunShot Initiative under the Next Generation Photovoltaics 3 program (DE-FOA-0000990). NR 52 TC 22 Z9 22 U1 19 U2 118 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 2211-2855 EI 2211-3282 J9 NANO ENERGY JI Nano Energy PD APR PY 2015 VL 13 BP 582 EP 591 DI 10.1016/j.nanoen.2015.03.037 PG 10 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CN4QI UT WOS:000358414700062 ER PT J AU Bommier, C Xu, R Wang, W Wang, XF Wen, D Lu, J Ji, XL AF Bommier, Clement Xu, Rui Wang, Wei Wang, Xingfeng Wen, David Lu, Jun Ji, Xiulei TI Self-activation of cellulose: A new preparation methodology for activated carbon electrodes in electrochemical capacitors SO NANO ENERGY LA English DT Article DE Pyrolysis; Cellulose; Flow rate; Self-activation; Electrochemical capacitor ID X-RAY-DIFFRACTION; PHYSICAL ACTIVATION; CHEMICAL ACTIVATION; PHOSPHORIC-ACID; KOH ACTIVATION; PYROLYSIS CONDITIONS; BIOMASS PYROLYSIS; LITHIUM INSERTION; ENERGY-STORAGE; CO2 ACTIVATION AB Current synthetic methods of biomass-derived activated carbon call for a costly chemical or physical activation process. Herein, we report a simple one-step annealing synthesis yielding a high surface area cellulose-derived activated carbon. We discover that simply varying the flow rate of Argon during pyrolysis enables 'self-activation' reactions that can tune the specific surface areas of the resulting carbon, ranging from 98 m(2)/g to values as high as 2600 m2/g. Furthermore, we, for the first time, observe a direct evolution of H-2 from the pyrolysis, which gives strong evidence towards an in situ self-activation mechanism. Surprisingly, the obtained activated carbon is a crumbled graphene nanostructure composed of interconnected sheets, making it ideal for use in an electrochemical capacitor. The cellulose-derived nanoporous carbon exhibits a capacitance of 132 F g(-1) at 1 A g(-1), a performance comparable to the state-of-the-art activated carbons. This work presents a fundamentally new angle to look at the synthesis of activated carbon, and highlights the importance of a controlled inert gas flow rate during synthesis in general, as its contributions can have a very large impact on the final material properties. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Bommier, Clement; Wang, Wei; Wang, Xingfeng; Wen, David; Ji, Xiulei] Oregon State Univ, Dept Chem, Corvallis, OR 97331 USA. [Xu, Rui; Lu, Jun] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Lu, J (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM junlu@anl.gov; david.ji@oregonstate.edu FU Oregon State University; U.S. Department of Energy from the Vehicle Technologies Office, Department of Energy, Office of Energy Efficiency and Renewable Energy (EERE) [DE-AC0206CH11357]; U.S. Department of Energy [DE-AC02-06CH11357]; National Science Foundation; Murdock Charitable Trust; Oregon Nanoscience and Microtechnology Institute (ONAMI) FX X.J. acknowledges the financial supports from Oregon State University. J.L. thanks the supports by the U.S. Department of Energy under Contract DE-AC0206CH11357 from the Vehicle Technologies Office, Department of Energy, Office of Energy Efficiency and Renewable Energy (EERE). Argonne National Laboratory is operated for the U.S. Department of Energy by UChicago Argonne, LLC, under contract DE-AC02-06CH11357. We are grateful to Professor Douglas A. Keszler for his assistance with the TGA-MS measurements. We thank Dr. Peter Eschbach and Ms. Teresa Sawyer for the SEM measurements in OSU Electron Microscopy Facility funded in part by the National Science Foundation, the Murdock Charitable Trust and the Oregon Nanoscience and Microtechnology Institute (ONAMI). We are thankful to Mr. Joshua Razink for the TEM measurements at the Center for Advanced Materials Characterization at Oregon (CAMCOR). NR 62 TC 8 Z9 8 U1 9 U2 71 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 2211-2855 EI 2211-3282 J9 NANO ENERGY JI Nano Energy PD APR PY 2015 VL 13 BP 709 EP 717 DI 10.1016/j.nanoen.2015.03.022 PG 9 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CN4QI UT WOS:000358414700075 ER PT J AU Polat, BD Eryilmaz, OL Chen, ZH Keles, O Amine, K AF Polat, B. Deniz Eryilmaz, O. Levent Chen, Zonghai Keles, Ozgul Amine, Khalil TI High capacity anode with well-aligned, ordered NISI nano-columnar arrays SO NANO ENERGY LA English DT Article DE Lithium ion batteries; Nano-columns; NiSi thin film; Oblique angle deposition; High-capacity anode ID LITHIUM-ION BATTERIES; CARBON-COATED SILICON; SI THIN-FILM; COMPOSITE ANODE; ELECTROCHEMICAL IMPEDANCE; RECHARGEABLE BATTERIES; SECONDARY BATTERIES; LI; PERFORMANCE; ALLOYS AB In this work, well-aligned and ordered NiSi nano columnar arrays were fabricated using an ion assisted oblique angle deposition technique based on electron beam co-evaporation. It was demonstrated that these NiSi nano columnar arrays were promising high-capacity anode material for next generation lithium-ion batteries. Nano-structured Si films were also deposited and evaluated as anode material under the same experimental conditions for comparison. It was found that the dopant of about 9% wt. Ni in Si nano columns helped to improve the electrical conductivity and the electrochemical performance of the material. The electrochemical characterization showed that the well-aligned nano-columnar porous NiSi thin film delivered a very high reversible capacity (-1100 mA h g (1)) with almost no capacity fade for up to 100 cycles. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Polat, B. Deniz; Keles, Ozgul] Istanbul Tech Univ, Dept Met & Mat Engn, TR-34469 Istanbul, Turkey. [Eryilmaz, O. Levent] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA. [Chen, Zonghai; Amine, Khalil] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Keles, O (reprint author), Istanbul Tech Univ, Dept Met & Mat Engn, TR-34469 Istanbul, Turkey. EM ozgulkeles@itu.edu.tr; amine@anl.gov FU Scientific and Technological Research Council of Turkey (TUBITAK) [110M148] FX This work is a part of the research project 110M148 approved by the Scientific and Technological Research Council of Turkey (TUBITAK). The authors thank Dr. Ali Erdemir and Assoc. Prof ipek Akin for their support in improving the paper; Prof. Dr. Gultekin Colter, Prof. Dr. Mustafa Orgen, Hijseyin Sezer and Sevgin Turkel' for their supports to accomplish in FE-SEM investigations and XRD analyses. NR 46 TC 3 Z9 3 U1 16 U2 37 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 2211-2855 EI 2211-3282 J9 NANO ENERGY JI Nano Energy PD APR PY 2015 VL 13 BP 781 EP 789 DI 10.1016/j.nanoen.2015.03.009 PG 9 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CN4QI UT WOS:000358414700081 ER PT J AU Damon, SA Tardif, RR AF Damon, Scott A. Tardif, Richard R. TI Asthma education: different viewpoints elicited by qualitative and quantitative methods SO JOURNAL OF ASTHMA LA English DT Article DE Asthma Action Plan; clinicians; docStyles; physicians; reimbursement ID PHYSICIAN AB Objective: This project began as a qualitative examination of how asthma education provided by health professionals could be improved. Unexpected qualitative findings regarding the use of Asthma Action Plans and the importance of insurance reimbursement for asthma education prompted further quantitative examination. Methods: Qualitative individual interviews were conducted with primary care physicians in private practice who routinely provide initial diagnoses of asthma and focus groups were conducted with other clinicians in private primary care practices who routinely provide asthma education. Using the DocStyles quantitative tool two questions regarding Asthma Action Plans and insurance reimbursement were asked of a representative sample of physicians and other clinicians. Results: The utility of Asthma Action Plans was questioned in the 2012 qualitative study. Qualitative findings also raised questions regarding whether reimbursement is the barrier to asthma education for patients performed by medical professionals it is thought to be. 2013 quantitative findings show that the majority of clinicians see Asthma Action Plans as useful. The question of whether reimbursement is a barrier to providing asthma education to patients was not resolved by the quantitative data. Conclusions: The majority of clinicians see Asthma Action Plans as a useful tool for patient education. Clinicians had less clear opinions on whether the lack of defined reimbursement codes acted as a barrier to asthma education. The study also provided useful audience data for design of new asthma educational tools developed by CDC. C1 [Damon, Scott A.] Ctr Dis Control, Natl Ctr Environm Hlth, Air Pollut & Resp Hlth Branch, Atlanta, GA 30341 USA. [Tardif, Richard R.] Oak Ridge Associated Univ, Oak Ridge, TN USA. RP Damon, SA (reprint author), Ctr Dis Control, Natl Ctr Environm Hlth, Air Pollut & Resp Hlth Branch, Atlanta, GA 30341 USA. EM scd3@cdc.gov FU Intramural CDC HHS [CC999999] NR 11 TC 1 Z9 1 U1 0 U2 0 PU INFORMA HEALTHCARE PI NEW YORK PA 52 VANDERBILT AVE, NEW YORK, NY 10017 USA SN 0277-0903 EI 1532-4303 J9 J ASTHMA JI J. Asthma PD APR PY 2015 VL 52 IS 3 BP 314 EP 317 DI 10.3109/02770903.2014.966112 PG 4 WC Allergy; Respiratory System SC Allergy; Respiratory System GA CN0DF UT WOS:000358082300014 PM 25243323 ER PT J AU Liu, H Chen, J Ren, Y Zhang, LX Pan, Z Fan, LL Xing, XR AF Liu, Hui Chen, Jun Ren, Yang Zhang, Linxing Pan, Zhao Fan, Longlong Xing, Xianran TI Large Photovoltage and Controllable Photovoltaic Effect in PbTiO3-Bi(Ni2/3+xNb1/3-x)O3-delta Ferroelectrics SO ADVANCED ELECTRONIC MATERIALS LA English DT Article ID FILM SOLAR-CELLS; POLARIZATION; PERFORMANCE; TEMPERATURE; CERAMICS; DEVICES; BATIO3; PBTIO3; BIFEO3 AB A new ferroelectric photovoltaic materical with large polarization and suitable bandgap has been designed for using in photovoltaics. An excellent photovoltaic performance is achieved, i.e., a large photovoltage of 10 V and a photocurrent of 0.116 mu A cm(-2). The direction of the photovoltage and photocurrent can be controlled by switching the direction of poling of the electric field, and the magnitude of the photovoltaic output can be tuned by adjusting the chemical composition. C1 [Liu, Hui; Chen, Jun; Zhang, Linxing; Pan, Zhao; Fan, Longlong; Xing, Xianran] Univ Sci & Technol Beijing, Dept Phys Chem, Beijing 100083, Peoples R China. [Chen, Jun] Univ Sci & Technol Beijing, Beijing Key Lab Special Melting & Preparat High E, Beijing 100083, Peoples R China. [Ren, Yang] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. RP Chen, J (reprint author), Univ Sci & Technol Beijing, Dept Phys Chem, Beijing 100083, Peoples R China. EM junchen@ustb.edu.cn RI Chen, Jun/M-1669-2015 FU National Natural Science Foundation of China [21322102, 91422301, 21231001]; Program for Changjiang Scholars and Innovative Research Team in University [IRT1207]; Fundamental Research Funds for the Central Universities, China [FRF-TP-14-012C1]; U.S. DOE [DE-AC02-06CH11357] FX This work was supported by the National Natural Science Foundation of China (Grant Nos. 21322102, 91422301, 21231001), the Program for Changjiang Scholars and Innovative Research Team in University (IRT1207), and the Fundamental Research Funds for the Central Universities, China (Grant No. FRF-TP-14-012C1). Use of the Advanced Photon Source, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science by Argonne National Laboratory, was supported by the U.S. DOE under Contract No. DE-AC02-06CH11357. NR 38 TC 4 Z9 4 U1 12 U2 63 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 2199-160X J9 ADV ELECTRON MATER JI Adv. Electron. Mater. PD APR PY 2015 VL 1 IS 4 AR 1400051 DI 10.1002/aelm.201400051 PG 6 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Physics GA CM4LA UT WOS:000357654800004 ER PT J AU Ade, PAR Aghanim, N Alina, D Alves, MIR Aniano, G Annitage-Caplan, C Arnaud, M Arzoumanian, D Ashdown, M Atrio-Barandela, F Aumont, J Baccigalupi, C Banday, AJ Barreiro, RB Battaner, E Benabed, K Benoit-Levy, A Bernard, JP Bersanelli, M Bielewicz, P Bond, JR Borrill, J Bouchet, FR Boulanger, F Bracco, A Burigana, C Cardoso, JF Catalano, A Chamballu, A Chiang, HC Christensen, PR Colombi, S Colombo, LPE Combet, C Couchot, F Coulais, A Crill, BP Curto, A Cuttaia, F Danese, L Davies, RD Davis, RJ de Bernardis, P de Rosa, A de Zotti, G Delabrouille, J Dickinson, C Diego, JM Donzelli, S Dore, O Douspis, M Dupac, X Efstathiou, G Ensslin, TA Eriksen, HK Falgarone, E Fanciullo, E Ferriere, K Finelli, F Forni, O Frailis, M Fraisse, AA Franceschi, E Galeotta, S Ganga, K Ghosh, T Giard, M Giraud-Heraud, Y Gonzalez-Nuevo, J Gorski, KM Gregorio, A Gruppuso, A Guillet, V Hansen, FK Harrison, DL Helou, G Hernandez-Monteagudo, C Hildebrandt, SR Hivon, E Hobson, M Holmes, WA Hornstrup, A Huffenberger, KM Jaffe, AH Jaffe, TR Jones, WC Juvela, M Keihanen, E Keskitalo, R Kisner, TS Kneissl, R Knoche, J Kunz, M Kurki-Suonio, H Lagache, G Larnarre, JM Lasenby, A Lawrence, CR Leonardi, R Levrier, F Liguori, M Lilje, PB Linden-Vornle, M Lopez-Caniego, M Lubin, PM Macias-Perez, JF Maino, D Mandolesi, N Maris, M Marshall, DJ Martin, PG Martinez-Gonzalez, E Masi, S Matarrese, S Mazzotta, P Melchiorri, A Mendes, L Mennella, A Migliaccio, M Miville-Deschenes, MA Moneti, A Montier, L Morgante, G Mortlock, D Munshi, D Murphy, JA Naselsky, P Nati, F Natoli, P Netterfield, CB Noviello, F Novikov, D Novikov, I Oxborrow, CA Pagano, L Pajot, F Paoletti, D Pasian, F Pelkonen, VM Perdereau, O Perotto, L Perrotta, F Piacentini, E Piat, M Pietrobon, D Plaszczynski, S Pointecouteau, E Polenta, G Popa, L Pratt, GW Prunet, S Puget, JL Rachen, JP Reinecke, M Remazeilles, M Renault, C Ricciardi, S Riller, T Ristorcelli, I Rocha, G Rosset, C Roudier, G Rusholme, B Sandri, M Scott, D Soler, JD Spencer, LD Stolyarov, V Stompor, R Sudiwala, R Sutton, D Suur-Uski, AS Sygnet, JF Tauber, JA Terenzi, L Toffolatti, L Tomasi, M Tristram, M Tucci, M Umana, G Valenziano, L Valiviita, J Van Tent, B Vielva, P Villa, F Wade, EA Wandelt, BD Zonca, A AF Ade, P. A. R. Aghanim, N. Alina, D. Alves, M. I. R. Aniano, G. Annitage-Caplan, C. Arnaud, M. Arzoumanian, D. Ashdown, M. Atrio-Barandela, F. Aumont, J. Baccigalupi, C. Banday, A. J. Barreiro, R. B. Battaner, E. Benabed, K. Benoit-Levy, A. Bernard, J. -P. Bersanelli, M. Bielewicz, P. Bond, J. R. Borrill, J. Bouchet, F. R. Boulanger, F. Bracco, A. Burigana, C. Cardoso, J. -F. Catalano, A. Chamballu, A. Chiang, H. C. Christensen, P. R. Colombi, S. Colombo, L. P. E. Combet, C. Couchot, F. Coulais, A. Crill, B. P. Curto, A. Cuttaia, F. Danese, L. Davies, R. D. Davis, R. J. de Bernardis, P. de Rosa, A. de Zotti, G. Delabrouille, J. Dickinson, C. Diego, J. M. Donzelli, S. Dore, O. Douspis, M. Dupac, X. Efstathiou, G. Ensslin, T. A. Eriksen, H. K. Falgarone, E. Fanciullo, E. Ferriere, K. Finelli, F. Forni, O. Frailis, M. Fraisse, A. A. Franceschi, E. Galeotta, S. Ganga, K. Ghosh, T. Giard, M. Giraud-Heraud, Y. Gonzalez-Nuevo, J. Gorski, K. M. Gregorio, A. Gruppuso, A. Guillet, V. Hansen, F. K. Harrison, D. L. Helou, G. Hernandez-Monteagudo, C. Hildebrandt, S. R. Hivon, E. Hobson, M. Holmes, W. A. Hornstrup, A. Huffenberger, K. M. Jaffe, A. H. Jaffe, T. R. Jones, W. C. Juvela, M. Keihanen, E. Keskitalo, R. Kisner, T. S. Kneissl, R. Knoche, J. Kunz, M. Kurki-Suonio, H. Lagache, G. Larnarre, J. -M. Lasenby, A. Lawrence, C. R. Leonardi, R. Levrier, F. Liguori, M. Lilje, P. B. Linden-Vornle, M. Lopez-Caniego, M. Lubin, P. M. Macias-Perez, J. F. Maino, D. Mandolesi, N. Maris, M. Marshall, D. J. Martin, P. G. Martinez-Gonzalez, E. Masi, S. Matarrese, S. Mazzotta, P. Melchiorri, A. Mendes, L. Mennella, A. Migliaccio, M. Miville-Deschenes, M. -A Moneti, A. Montier, L. Morgante, G. Mortlock, D. Munshi, D. Murphy, J. A. Naselsky, P. Nati, F. Natoli, P. Netterfield, C. B. Noviello, F. Novikov, D. Novikov, I. Oxborrow, C. A. Pagano, L. Pajot, F. Paoletti, D. Pasian, F. Pelkonen, V. -M. Perdereau, O. Perotto, L. Perrotta, F. Piacentini, F. Piat, M. Pietrobon, D. Plaszczynski, S. Pointecouteau, E. Polenta, G. Popa, L. Pratt, G. W. Prunet, S. Puget, J-L Rachen, J. P. Reinecke, M. Remazeilles, M. Renault, C. Ricciardi, S. Riller, T. Ristorcelli, I. Rocha, G. Rosset, C. Roudier, G. Rusholme, B. Sandri, M. Scott, D. Soler, J. D. Spencer, L. D. Stolyarov, V. Stompor, R. Sudiwala, R. Sutton, D. Suur-Uski, A. -S. Sygnet, J. -F. Tauber, J. A. Terenzi, L. Toffolatti, L. Tomasi, M. Tristram, M. Tucci, M. Umana, G. Valenziano, L. Valiviita, J. Van Tent, B. Vielva, P. Villa, F. Wade, E. A. Wandelt, B. D. Zonca, A. CA Planck Collaboration TI Planck intermediate results. XX. Comparison of polarized thermal emission from Galactic dust with simulations of MHD turbulence SO ASTRONOMY & ASTROPHYSICS LA English DT Article DE ISM: general; dust, extinction; ISM: magnetic fields; ISM: clouds; infrared: ISM; submillimeter: ISM ID RADIATIVE TORQUE ALIGNMENT; ADAPTIVE MESH REFINEMENT; MAGNETIC-FIELDS; INTERSTELLAR POLARIZATION; GRAIN ALIGNMENT; SUBMILLIMETER EMISSION; MOLECULAR CLOUDS; EFFICIENCY; TAURUS; ASSOCIATIONS AB Polarized emission observed by Planck HFI at 353GHz towards a sample of nearby fields is presented, focusing on the statistics of polarization fractions p and angles psi. The polarization fractions and column densities in these nearby fields are representative of the range of values obtained over the whole sky. We find that: (i) the largest polarization fractions are reached in the most diffuse fields; (ii) the maximum polarization fraction p(max) decreases with column density N-H in the more opaque fields with N-H > 10(21) cm(-2); and (iii) the polarization fraction along a given line of sight is correlated with the local spatial coherence of the polarization angle. These observations are compared to polarized emission maps computed in simulations of anisotropic magnetohydrodynamical turbulence in which we assume a uniform intrinsic polarization fraction of the dust grains. We find that an estimate of this parameter may be recovered from the maximum polarization fraction p(max) in diffuse regions where the magnetic field is ordered on large scales and perpendicular to the line of sight. This emphasizes the impact of anisotropies of the magnetic field on the emerging polarization signal. The decrease of the maximum polarization fraction with column density in nearby molecular clouds is well reproduced in the simulations, indicating that it is essentially due to the turbulent structure of the magnetic field: an accumulation of variously polarized structures along the line of sight leads to such an anti-correlation. In the simulations, polarization fractions are also found to anti-correlate with the angle dispersion function S. However, the dispersion of the polarization angle for a given polarization fraction is found to be larger in the simulations than in the observations, suggesting a shortcoming in the physical content of these numerical models. In summary, we find that the turbulent structure of the magnetic field is able to reproduce the main statistical properties of the dust polarization as observed in a variety of nearby clouds, dense cores excluded, and that the large-scale field orientation with respect to the line of sight plays a major role in the quantitative analysis of these statistical properties. C1 [Cardoso, J. -F.; Delabrouille, J.; Ganga, K.; Giraud-Heraud, Y.; Piat, M.; Remazeilles, M.; Rosset, C.; Roudier, G.; Stompor, R.] Univ Paris Diderot, Observ Paris, APC,AstroParticule & Cosmol,Sorbonne Paris Cite, CNRS,IN2P3,CEA Irfu, F-75205 Paris 13, France. [Kunz, M.] African Inst Math Sci, ZA-7945 Cape Town, South Africa. [Natoli, P.; Polenta, G.] Agenzia Spaziale Italiana, Sci Data Ctr, I-00133 Rome, Italy. [Mandolesi, N.] Agenzia Spaziale Italiana, I-00198 Rome, Italy. [Ashdown, M.; Curto, A.; Hobson, M.; Lasenby, A.; Stolyarov, V.] Univ Cambridge, Cavendish Lab, Astrophys Grp, Cambridge CB3 0HE, England. 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EM francois.levrier@ens.fr RI Tomasi, Maurizio/I-1234-2016; Novikov, Igor/N-5098-2015; Nati, Federico/I-4469-2016; popa, lucia/B-4718-2012; Vielva, Patricio/F-6745-2014; Toffolatti, Luigi/K-5070-2014; Gruppuso, Alessandro/N-5592-2015; Novikov, Dmitry/P-1807-2015; Valiviita, Jussi/A-9058-2016; Mazzotta, Pasquale/B-1225-2016; Kurki-Suonio, Hannu/B-8502-2016; Ghosh, Tuhin/E-6899-2016; Pelkonen, Veli-Matti/R-4646-2016; Martinez-Gonzalez, Enrique/E-9534-2015; Piacentini, Francesco/E-7234-2010; Gonzalez-Nuevo, Joaquin/I-3562-2014; Atrio-Barandela, Fernando/A-7379-2017; Stolyarov, Vladislav/C-5656-2017; Barreiro, Rita Belen/N-5442-2014; Remazeilles, Mathieu/N-1793-2015; OI Tomasi, Maurizio/0000-0002-1448-6131; Nati, Federico/0000-0002-8307-5088; Vielva, Patricio/0000-0003-0051-272X; Toffolatti, Luigi/0000-0003-2645-7386; Gruppuso, Alessandro/0000-0001-9272-5292; Valiviita, Jussi/0000-0001-6225-3693; Mazzotta, Pasquale/0000-0002-5411-1748; Kurki-Suonio, Hannu/0000-0002-4618-3063; Pelkonen, Veli-Matti/0000-0002-8898-1047; Martinez-Gonzalez, Enrique/0000-0002-0179-8590; Piacentini, Francesco/0000-0002-5444-9327; Gonzalez-Nuevo, Joaquin/0000-0003-1354-6822; Atrio-Barandela, Fernando/0000-0002-2130-2513; Stolyarov, Vladislav/0000-0001-8151-828X; Barreiro, Rita Belen/0000-0002-6139-4272; Masi, Silvia/0000-0001-5105-1439; Galeotta, Samuele/0000-0002-3748-5115; Matarrese, Sabino/0000-0002-2573-1243; Lopez-Caniego, Marcos/0000-0003-1016-9283; de Bernardis, Paolo/0000-0001-6547-6446; Remazeilles, Mathieu/0000-0001-9126-6266; Maris, Michele/0000-0001-9442-2754; Pasian, Fabio/0000-0002-4869-3227; WANDELT, Benjamin/0000-0002-5854-8269; Frailis, Marco/0000-0002-7400-2135; Gregorio, Anna/0000-0003-4028-8785; Polenta, Gianluca/0000-0003-4067-9196; Cuttaia, Francesco/0000-0001-6608-5017; Huffenberger, Kevin/0000-0001-7109-0099; Juvela, Mika/0000-0002-5809-4834; Hivon, Eric/0000-0003-1880-2733; Lilje, Per/0000-0003-4324-7794; Paoletti, Daniela/0000-0003-4761-6147; Bouchet, Francois/0000-0002-8051-2924; Ricciardi, Sara/0000-0002-3807-4043; Villa, Fabrizio/0000-0003-1798-861X; TERENZI, LUCA/0000-0001-9915-6379 FU ESA; CNES (France); CNRS/INSU-IN2P3-INP (France); ASI (Italy); CNR (Italy); INAF (Italy); NASA (USA); DoE (USA); STFC (UK); UKSA (UK); CSIC (Spain); MICINN (Spain); JA (Spain); RES (Spain); Tekes (Finland); AoF (Finland); CSC (Finland); DLR (Germany); MPG (Germany); CSA (Canada); DTU Space (Denmark); SER/SSO (Switzerland); RCN (Norway); SFI (Ireland); FCT/MCTES (Portugal); PRACE (EU); European Research Council under European Union / ERC [267934] FX The development of Planck has been supported by: ESA; CNES and CNRS/INSU-IN2P3-INP (France); ASI, CNR, and INAF (Italy); NASA and DoE (USA); STFC and UKSA (UK); CSIC, MICINN, JA and RES (Spain); Tekes, AoF and CSC (Finland); DLR and MPG (Germany); CSA (Canada); DTU Space (Denmark); SER/SSO (Switzerland); RCN (Norway); SFI (Ireland); FCT/MCTES (Portugal); and PRACE (EU). A description of the Planck Collaboration and a list of its members, including the technical or scientific activities in which they have been involved, can be found at http://www.sciops.esa.int/index.php?project=planck&page=Planck_Collabora tion. Some of the results in this paper have been derived using the HEALPix package. The authors would like to thank Charles Beichman for his careful reading of the manuscript and useful comments. The research leading to these results has received funding from the European Research Council under the European Union's Seventh Framework Programme (FP7/2007-2013) / ERC grant agreement No. 267934. NR 55 TC 15 Z9 15 U1 2 U2 13 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 1432-0746 J9 ASTRON ASTROPHYS JI Astron. Astrophys. PD APR PY 2015 VL 576 AR A105 DI 10.1051/0004-6361/201424086 PG 27 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA CL9DC UT WOS:000357274600040 ER PT J AU Ade, PAR Alves, MIR Aniano, G Armitage-Caplan, C Arnaud, M Atrio-Barandela, F Aumont, J Baccigalupi, C Banday, AJ Barreiro, RB Battaner, E Benabed, K Benoit-Levy, A Bernard, JP Bersanelli, M Bielewicz, P Bock, JJ Bond, JR Borrill, J Bouchet, FR Boulanger, F Burigana, C Cardoso, JF Catalano, A Chamballu, A Chiang, HC Colombo, LPL Combet, C Couchot, F Coulais, A Crill, BP Curto, A Cuttaia, F Danese, L Davies, RD Davis, RJ de Bernardis, P de Zotti, G Delabrouille, J Desert, FX Dickinson, C Diego, JM Donzelli, S Dore, O Douspis, M Dunkley, J Dupac, X Ensslin, TA Eriksen, HK Falgarone, E Finelli, F Forni, O Frailis, M Fraisse, AA Franceschi, E Galeotta, S Ganga, K Ghosh, T Giard, M Gonzalez-Nuevo, J Gorski, KM Gregorio, A Gruppuso, A Guillet, V Hansen, FK Harrison, DL Helou, G Hernandez-Monteagudo, C Hildebrandt, SR Hivon, E Hobson, M Holmes, WA Hornstrup, A Jaffe, AH Jaffe, TR Jones, WC Keihanen, E Keskitalo, R Kisner, TS Kneissl, R Knoche, J Kunz, M Kurki-Suonio, H Lagache, G Lamarre, JM Lasenby, A Lawrence, CR Leahy, JP Leonardi, R Levrier, F Liguori, M Lilje, PB Linden-Vornle, M Lopez-Caniego, M Lubin, PM Macias-Perez, JF Maffei, B Magalhaes, AM Maino, D Mandolesi, N Maris, M Marshall, DJ Martin, PG Martinez-Gonzalez, E Masi, S Matarrese, S Mazzotta, P Melchiorri, A Mendes, L Mennella, A Migliaccio, M Miville-Deschenes, MA Moneti, A Montier, L Morgante, G Mortlock, D Munshi, D Murphy, JA Naselsky, P Nati, F Natoli, P Netterfield, CB Noviello, F Novikov, D Novikov, I Oppermann, N Oxborrow, CA Pagano, L Pajot, F Paoletti, D Pasian, F Perdereau, O Perotto, L Perrotta, F Piacentini, F Pietrobon, D Plaszczynski, S Pointecouteau, E Polenta, G Popa, L Pratt, GW Rachen, JP Reach, WT Reinecke, M Remazeilles, M Renault, C Ricciardi, S Riller, T Ristorcelli, I Rocha, G Rosset, C Roudier, G Rubino-Martin, JA Rusholme, B Salerno, E Sandri, M Savini, G Scott, D Spencer, LD Stolyarov, V Stompor, R Sudiwala, R Sutton, D Suur-Uski, AS Sygnet, JF Tauber, JA Terenzi, L Toffolatti, L Tomasi, M Tristram, M Tucci, M Valenziano, L Valiviita, J Van Tent, B Vielva, P Villa, F Wandelt, BD Zacchei, A Zonca, A AF Ade, P. A. R. Alves, M. I. R. Aniano, G. Armitage-Caplan, C. Arnaud, M. Atrio-Barandela, F. Aumont, J. Baccigalupi, C. Banday, A. J. Barreiro, R. B. Battaner, E. Benabed, K. Benoit-Levy, A. Bernard, J. -P. Bersanelli, M. Bielewicz, P. Bock, J. J. Bond, J. R. Borrill, J. Bouchet, F. R. Boulanger, F. Burigana, C. Cardoso, J. -F. Catalano, A. Chamballu, A. Chiang, H. C. Colombo, L. P. L. Combet, C. Couchot, F. Coulais, A. Crill, B. P. Curto, A. Cuttaia, F. Danese, L. Davies, R. D. Davis, R. J. de Bernardis, P. de Zotti, G. Delabrouille, J. Desert, F. -X. Dickinson, C. Diego, J. M. Donzelli, S. Dore, O. Douspis, M. Dunkley, J. Dupac, X. Ensslin, T. A. Eriksen, H. K. Falgarone, E. Finelli, F. Forni, O. Frailis, M. Fraisse, A. A. Franceschi, E. Galeotta, S. Ganga, K. Ghosh, T. Giard, M. Gonzalez-Nuevo, J. Gorski, K. M. Gregorio, A. Gruppuso, A. Guillet, V. Hansen, F. K. Harrison, D. L. Helou, G. Hernandez-Monteagudo, C. Hildebrandt, S. R. Hivon, E. Hobson, M. Holmes, W. A. Hornstrup, A. Jaffe, A. H. Jaffe, T. R. Jones, W. C. Keihanen, E. Keskitalo, R. Kisner, T. S. Kneissl, R. Knoche, J. Kunz, M. Kurki-Suonio, H. Lagache, G. Lamarre, J. -M. Lasenby, A. Lawrence, C. R. Leahy, J. P. Leonardi, R. Levrier, F. Liguori, M. Lilje, P. B. Linden-Vornle, M. Lopez-Caniego, M. Lubin, P. M. Macias-Perez, J. F. Maffei, B. Magalhaes, A. M. Maino, D. Mandolesi, N. Maris, M. Marshall, D. J. Martin, P. G. Martinez-Gonzalez, E. Masi, S. Matarrese, S. Mazzotta, P. Melchiorri, A. Mendes, L. Mennella, A. Migliaccio, M. Miville-Deschenes, M. -A. Moneti, A. Montier, L. Morgante, G. Mortlock, D. Munshi, D. Murphy, J. A. Naselsky, P. Nati, F. Natoli, P. Netterfield, C. B. Noviello, F. Novikov, D. Novikov, I. Oppermann, N. Oxborrow, C. A. Pagano, L. Pajot, F. Paoletti, D. Pasian, F. Perdereau, O. Perotto, L. Perrotta, F. Piacentini, F. Pietrobon, D. Plaszczynski, S. Pointecouteau, E. Polenta, G. Popa, L. Pratt, G. W. Rachen, J. P. Reach, W. T. Reinecke, M. Remazeilles, M. Renault, C. Ricciardi, S. Riller, T. Ristorcelli, I. Rocha, G. Rosset, C. Roudier, G. Rubino-Martin, J. A. Rusholme, B. Salerno, E. Sandri, M. Savini, G. Scott, D. Spencer, L. D. Stolyarov, V. Stompor, R. Sudiwala, R. Sutton, D. Suur-Uski, A. -S. Sygnet, J. -F. Tauber, J. A. Terenzi, L. Toffolatti, L. Tomasi, M. Tristram, M. Tucci, M. Valenziano, L. Valiviita, J. Van Tent, B. Vielva, P. Villa, F. Wandelt, B. D. Zacchei, A. Zonca, A. CA Planck Collaboration TI Planck intermediate results. XXII. Frequency dependence of thermal emission from Galactic dust in intensity and polarization SO ASTRONOMY & ASTROPHYSICS LA English DT Article DE polarization; ISM: general; Galaxy: general; radiation mechanisms: general; submillimeter: ISM; infrared: ISM ID MICROWAVE-ANISOTROPY-PROBE; H-ALPHA EMISSION; DMR SKY MAPS; SPINNING DUST; WMAP OBSERVATIONS; INTERSTELLAR DUST; SUBMILLIMETER POLARIZATION; MAGNETIC NANOPARTICLES; COMPONENT SEPARATION; FOREGROUND EMISSION AB Planck has mapped the intensity and polarization of the sky at microwave frequencies with unprecedented sensitivity. We use these data to characterize the frequency dependence of dust emission. We make use of the Planck 353 GHz I, Q, and U Stokes maps as dust templates, and cross-correlate them with the Planck and WMAP data at 12 frequencies from 23 to 353 GHz, over circular patches with 10 degrees radius. The cross-correlation analysis is performed for both intensity and polarization data in a consistent manner. The results are corrected for the chance correlation between the templates and the anisotropies of the cosmic microwave background. We use a mask that focuses our analysis on the diffuse interstellar medium at intermediate Galactic latitudes. We determine the spectral indices of dust emission in intensity and polarization between 100 and 353 GHz, for each sky patch. Both indices are found to be remarkably constant over the sky. The mean values, 1.59 +/- 0.02 for polarization and 1.51 +/- 0.01 for intensity, for a mean dust temperature of 19.6 K, are close, but significantly different (3.6 sigma). We determine the mean spectral energy distribution (SED) of the microwave emission, correlated with the 353 GHz dust templates, by averaging the results of the correlation over all sky patches. We find that the mean SED increases for decreasing frequencies at v < 60 GHz for both intensity and polarization. The rise of the polarization SED towards low frequencies may be accounted for by a synchrotron component correlated with dust, with no need for any polarization of the anomalous microwave emission. We use a spectral model to separate the synchrotron and dust polarization and to characterize the spectral dependence of the dust polarization fraction. The polarization fraction (p) of the dust emission decreases by (21 +/- 6)% from 353 to 70 GHz. We discuss this result within the context of existing dust models. The decrease in p could indicate differences in polarization efficiency among components of interstellar dust (e.g., carbon versus silicate grains). Our observational results provide inputs to quantify and optimize the separation between Galactic and cosmological polarization. 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EM tuhin.ghosh@ias.u-psud.fr RI Kurki-Suonio, Hannu/B-8502-2016; Ghosh, Tuhin/E-6899-2016; Tomasi, Maurizio/I-1234-2016; Novikov, Igor/N-5098-2015; Colombo, Loris/J-2415-2016; Nati, Federico/I-4469-2016; Salerno, Emanuele/A-2137-2010; Toffolatti, Luigi/K-5070-2014; Gruppuso, Alessandro/N-5592-2015; Novikov, Dmitry/P-1807-2015; Valiviita, Jussi/A-9058-2016; Mazzotta, Pasquale/B-1225-2016; Remazeilles, Mathieu/N-1793-2015; popa, lucia/B-4718-2012; Vielva, Patricio/F-6745-2014; Martinez-Gonzalez, Enrique/E-9534-2015; Piacentini, Francesco/E-7234-2010; Gonzalez-Nuevo, Joaquin/I-3562-2014; Atrio-Barandela, Fernando/A-7379-2017; Stolyarov, Vladislav/C-5656-2017; Barreiro, Rita Belen/N-5442-2014; OI Savini, Giorgio/0000-0003-4449-9416; Kurki-Suonio, Hannu/0000-0002-4618-3063; Tomasi, Maurizio/0000-0002-1448-6131; Colombo, Loris/0000-0003-4572-7732; Nati, Federico/0000-0002-8307-5088; Salerno, Emanuele/0000-0002-3433-3634; Toffolatti, Luigi/0000-0003-2645-7386; Gruppuso, Alessandro/0000-0001-9272-5292; Valiviita, Jussi/0000-0001-6225-3693; Mazzotta, Pasquale/0000-0002-5411-1748; De Zotti, Gianfranco/0000-0003-2868-2595; Polenta, Gianluca/0000-0003-4067-9196; Lopez-Caniego, Marcos/0000-0003-1016-9283; Masi, Silvia/0000-0001-5105-1439; de Bernardis, Paolo/0000-0001-6547-6446; Morgante, Gianluca/0000-0001-9234-7412; Remazeilles, Mathieu/0000-0001-9126-6266; Maris, Michele/0000-0001-9442-2754; Franceschi, Enrico/0000-0002-0585-6591; Valenziano, Luca/0000-0002-1170-0104; Vielva, Patricio/0000-0003-0051-272X; Martinez-Gonzalez, Enrique/0000-0002-0179-8590; Piacentini, Francesco/0000-0002-5444-9327; Gonzalez-Nuevo, Joaquin/0000-0003-1354-6822; Atrio-Barandela, Fernando/0000-0002-2130-2513; Stolyarov, Vladislav/0000-0001-8151-828X; Barreiro, Rita Belen/0000-0002-6139-4272; Rubino-Martin, Jose Alberto/0000-0001-5289-3021; Frailis, Marco/0000-0002-7400-2135; Galeotta, Samuele/0000-0002-3748-5115; Pasian, Fabio/0000-0002-4869-3227; WANDELT, Benjamin/0000-0002-5854-8269; Finelli, Fabio/0000-0002-6694-3269; Scott, Douglas/0000-0002-6878-9840; Gregorio, Anna/0000-0003-4028-8785; Sandri, Maura/0000-0003-4806-5375; Cuttaia, Francesco/0000-0001-6608-5017; Burigana, Carlo/0000-0002-3005-5796; Bouchet, Francois/0000-0002-8051-2924; Ricciardi, Sara/0000-0002-3807-4043; Villa, Fabrizio/0000-0003-1798-861X; TERENZI, LUCA/0000-0001-9915-6379; Reach, William/0000-0001-8362-4094; Zacchei, Andrea/0000-0003-0396-1192; Hivon, Eric/0000-0003-1880-2733; Lilje, Per/0000-0003-4324-7794; Paoletti, Daniela/0000-0003-4761-6147 FU ESA; CNES (France); CNRS/INSU-IN2P3-INP (France); ASI (Italy); CNR (Italy); INAF (Italy); NASA (USA); DoE (USA); STFC (UK); UKSA (UK); CSIC (Spain); MICINN (Spain); J.A. (Spain); Tekes (Finland); AoF (Finland); CSC (Finland); DLR (Germany); MPG (Germany); CSA (Canada); DTU Space (Denmark); SER/SSO (Switzerland); RCN (Norway); SFI (Ireland); FCT/MCTES (Portugal); DEISA (EU); European Research Council under the European Union [267934] FX The Planck Collaboration acknowledges the support of: ESA; CNES and CNRS/INSU-IN2P3-INP (France); ASI, CNR, and INAF (Italy); NASA and DoE (USA); STFC and UKSA (UK); CSIC, MICINN and J.A. (Spain); Tekes, AoF and CSC (Finland); DLR and MPG (Germany); CSA (Canada); DTU Space (Denmark); SER/SSO (Switzerland); RCN (Norway); SFI (Ireland); FCT/MCTES (Portugal); and DEISA (EU). A detailed description of the Planck Collaboration and a list of its members can be found at http://www.rssd.esa.int/index.php?project=PLANCK&page=Planck_Collaborati on. The research leading to these results has received funding from the European Research Council under the European Union's Seventh Framework Programme (FP7/2007-2013)/ERC grant agreement No. 267934. We acknowledge the use of the Legacy Archive for Microwave Background Data Analysis (LAMBDA), part of the High Energy Astrophysics Science Archive Center (HEASARC). HEASARC/LAMBDA is a service of the Astrophysics Science Division at the NASA Goddard Space Flight Center. Some of the results in this paper have been derived using the HEALPix package. NR 104 TC 25 Z9 25 U1 2 U2 11 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 1432-0746 J9 ASTRON ASTROPHYS JI Astron. Astrophys. 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Hansen, F. K. Harrison, D. L. Helou, G. Hernandez-Monteagudo, C. Hildebrandt, S. R. Hivon, E. Hobson, M. Holmes, W. A. Hornstrup, A. Huffenberger, K. M. Jaffe, A. H. Jaffe, T. R. Jones, W. C. Juvela, M. Keihanen, E. Keskitalo, R. Kisner, T. S. Kneissl, R. Knoche, J. Kunz, M. Kurki-Suonio, H. Lagache, G. Lahteenmaki, A. Lamarre, J. -M. Lasenby, A. Lawrence, C. R. Leonardi, R. Levrier, F. Liguori, M. Lilje, P. B. Linden-Vornle, M. Lopez-Caniego, M. Lubin, P. M. Macias-Perez, J. F. Maffei, B. Magalhaes, A. M. Maino, D. Mandolesi, N. Maris, M. Marshall, D. J. Martin, P. G. Martinez-Gonzalez, E. Masi, S. Matarrese, S. Mazzotta, P. Melchiorri, A. Mendes, L. Mennella, A. Migliaccio, M. Miville-Deschenes, M. -A. Moneti, A. Montier, L. Morgante, G. Mortlock, D. Munshi, D. Murphy, J. A. Naselsky, P. Nati, F. Natoli, P. Netterfield, C. B. Noviello, F. Novikov, D. Novikov, I. Oxborrow, C. A. Pagano, L. Pajot, F. Paladini, R. Paoletti, D. Pasian, F. Perdereau, O. Perotto, L. Perrotta, F. Piacentini, F. Piot, M. Pietrobon, D. Plaszczynski, S. Poidevin, F. Pointecouteau, E. Polenta, G. Popa, L. Pratt, G. W. Prunet, S. Puget, J. -L. Rachen, J. P. Reach, W. T. Rebolo, R. Reinecke, M. Remazeilles, M. Renault, C. Ricciardi, S. Riller, T. Ristorcelli, I. Rocha, G. Rosset, C. Roudier, G. Rusholme, B. Sandri, M. Savini, G. Scott, D. Spencer, L. D. Stolyarov, V. Stompor, R. Sudiwala, R. Sutton, D. Suur-Uski, A. -S. Sygnet, J. -F. Tauber, J. A. Terenzi, L. Toffolatti, L. Tomasi, M. Tristram, M. Tucci, M. Umana, G. Valenziano, L. Valiviita, J. Van Tent, B. Vielva, P. Villa, F. Wade, L. A. Wandelt, B. D. Zonca, A. CA Planck Collaboration TI Planck intermediate results. XXI. Comparison of polarized thermal emission from Galactic dust at 353 GHz with interstellar polarization in the visible SO ASTRONOMY & ASTROPHYSICS LA English DT Article DE polarization; dust, extinction; ISM: clouds; ISM: magnetic fields; submillimeter: ISM ID PROBE WMAP OBSERVATIONS; LINEAR-POLARIZATION; SUBMILLIMETER POLARIZATION; WAVELENGTH DEPENDENCE; INFRARED POLARIZATION; MOLECULAR CLOUD; MU-M; EXTINCTION; STARS; SPECTRUM AB The Planck survey provides unprecedented full-sky coverage of the submillimetre polarized emission from Galactic dust. In addition to the information on the direction of the Galactic magnetic field, this also brings new constraints on the properties of dust. The dust grains that emit the radiation seen by Planck in the submillimetre also extinguish and polarize starlight in the visible. Comparison of the polarization of the emission and of the interstellar polarization on selected lines of sight probed by stars provides unique new diagnostics of the emission and light scattering properties of dust, and therefore of the important dust model parameters, composition, size, and shape. Using ancillary catalogues of interstellar polarization and extinction of starlight, we obtain the degree of polarization, p(V), and the optical depth in the V band to the star, tau(V). Toward these stars we measure the submillimetre polarized intensity, P-S, and total intensity, I-S,I- in the Planck 353 GHz channel. We compare the column density measure in the visible, E(B - V), with that inferred from the Planck product map of the submillimetre dust optical depth and compare the polarization direction (position angle) in the visible with that in the submillimetre. For those lines of sight through the di ff use interstellar medium with comparable values of the estimated column density and polarization directions close to orthogonal, we correlate properties in the submillimetre and visible to find two ratios, R-S/V = (P-S/I-S) = (p(V)/tau(V)) and R-P/p = P-S/p(V), the latter focusing directly on the polarization properties of the aligned grain population alone. We find R-S/V = 4.2, with statistical and systematic uncertainties 0.2 and 0.3, respectively, and R-P/p = 5.4 MJy sr(-1), with uncertainties 0.2 and 0.3 MJy sr(-1), respectively. Our estimate of R-S/V is compatible with predictions based on a range of polarizing dust models that have been developed for the di ff use interstellar medium. This estimate provides new empirical validation of many of the common underlying assumptions of the models, but is not yet very discriminating among them. However, our estimate of R-P/p is not compatible with predictions, which are too low by a factor of about 2.5. This more discriminating diagnostic, R-P/p, indicates that changes to the optical properties in the models of the aligned grain population are required. These new diagnostics, together with the spectral dependence in the submillimetre from Planck, will be important for constraining and understanding the full complexity of the grain models, and for interpreting the Planck thermal dust polarization and refinement of the separation of this contamination of the cosmic microwave background. C1 [Cardoso, J. -F.; Delabrouille, J.; Ganga, K.; Giraud-Heraud, Y.; Piot, M.; Remazeilles, M.; Rosset, C.; Roudier, G.; Stompor, R.] Univ Paris Diderot, Observ Paris, CEA,Irfu,Sorbonne Paris Cite, APC,AstroParticule & Cosmol,CNRS,IN2P3, F-75205 Paris, France. [Lahteenmaki, A.] Aalto Univ, Metsahovi Radio Observ, Aalto 00076, Finland. 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EM vincent.guillet@ias.u-psud.fr RI Remazeilles, Mathieu/N-1793-2015; popa, lucia/B-4718-2012; Vielva, Patricio/F-6745-2014; Martinez-Gonzalez, Enrique/E-9534-2015; Piacentini, Francesco/E-7234-2010; Gonzalez-Nuevo, Joaquin/I-3562-2014; Atrio-Barandela, Fernando/A-7379-2017; Stolyarov, Vladislav/C-5656-2017; Barreiro, Rita Belen/N-5442-2014; Nati, Federico/I-4469-2016; Lahteenmaki, Anne/L-5987-2013; Toffolatti, Luigi/K-5070-2014; Gruppuso, Alessandro/N-5592-2015; Novikov, Dmitry/P-1807-2015; Valiviita, Jussi/A-9058-2016; Mazzotta, Pasquale/B-1225-2016; Kurki-Suonio, Hannu/B-8502-2016; Ghosh, Tuhin/E-6899-2016; Tomasi, Maurizio/I-1234-2016; Novikov, Igor/N-5098-2015; Colombo, Loris/J-2415-2016; OI Savini, Giorgio/0000-0003-4449-9416; Juvela, Mika/0000-0002-5809-4834; Reach, William/0000-0001-8362-4094; Hivon, Eric/0000-0003-1880-2733; Lilje, Per/0000-0003-4324-7794; Paoletti, Daniela/0000-0003-4761-6147; Sandri, Maura/0000-0003-4806-5375; Franceschi, Enrico/0000-0002-0585-6591; Valenziano, Luca/0000-0002-1170-0104; Polenta, Gianluca/0000-0003-4067-9196; Morgante, Gianluca/0000-0001-9234-7412; Lopez-Caniego, Marcos/0000-0003-1016-9283; Masi, Silvia/0000-0001-5105-1439; de Bernardis, Paolo/0000-0001-6547-6446; Remazeilles, Mathieu/0000-0001-9126-6266; Maris, Michele/0000-0001-9442-2754; Vielva, Patricio/0000-0003-0051-272X; Martinez-Gonzalez, Enrique/0000-0002-0179-8590; Piacentini, Francesco/0000-0002-5444-9327; Gonzalez-Nuevo, Joaquin/0000-0003-1354-6822; Atrio-Barandela, Fernando/0000-0002-2130-2513; Stolyarov, Vladislav/0000-0001-8151-828X; Barreiro, Rita Belen/0000-0002-6139-4272; Finelli, Fabio/0000-0002-6694-3269; De Zotti, Gianfranco/0000-0003-2868-2595; Nati, Federico/0000-0002-8307-5088; Toffolatti, Luigi/0000-0003-2645-7386; Gruppuso, Alessandro/0000-0001-9272-5292; Valiviita, Jussi/0000-0001-6225-3693; Mazzotta, Pasquale/0000-0002-5411-1748; Kurki-Suonio, Hannu/0000-0002-4618-3063; Tomasi, Maurizio/0000-0002-1448-6131; Colombo, Loris/0000-0003-4572-7732; Bouchet, Francois/0000-0002-8051-2924; Ricciardi, Sara/0000-0002-3807-4043; Villa, Fabrizio/0000-0003-1798-861X; TERENZI, LUCA/0000-0001-9915-6379; Matarrese, Sabino/0000-0002-2573-1243; Galeotta, Samuele/0000-0002-3748-5115; Pasian, Fabio/0000-0002-4869-3227; WANDELT, Benjamin/0000-0002-5854-8269; Umana, Grazia/0000-0002-6972-8388; Scott, Douglas/0000-0002-6878-9840; Frailis, Marco/0000-0002-7400-2135; Gregorio, Anna/0000-0003-4028-8785; Cuttaia, Francesco/0000-0001-6608-5017; Huffenberger, Kevin/0000-0001-7109-0099; Burigana, Carlo/0000-0002-3005-5796 FU ESA; CNES (France); CNRS/INSU-IN2P3-INP (France); ASI (Italy); CNR (Italy); INAF (Italy); NASA (USA); DoE (USA); STFC (UK); UKSA (UK); CSIC (Spain); MICINN (Spain); JA (Spain); RES (Spain); Tekes (Finland); AoF (Finland); CSC (Finland); DLR (Germany); MPG (Germany); CSA (Canada); DTU Space (Denmark); SER/SSO (Switzerland); RCN (Norway); SFI (Ireland); FCT/MCTES (Portugal); PRACE (EU); European Research Council under the European Union [267934] FX The development of Planck has been supported by: ESA; CNES and CNRS/INSU-IN2P3-INP (France); ASI, CNR, and INAF (Italy); NASA and DoE (USA); STFC and UKSA (UK); CSIC, MICINN, JA and RES (Spain); Tekes, AoF and CSC (Finland); DLR and MPG (Germany); CSA (Canada); DTU Space (Denmark); SER/SSO (Switzerland); RCN (Norway); SFI (Ireland); FCT/MCTES (Portugal); and PRACE (EU). A description of the Planck Collaboration and a list of its members, including the technical or scientific activities in which they have been involved, can be found at http://www.sciops.esa.int/index.php ? project=planck&page=Planck_Collaboration. The research leading to these results has received funding from the European Research Council under the European Union's Seventh Framework Programme (FP7/20072013) / ERC grant agreement No. 267934. This research has made use of the SIMBAD database and the VizieR catalogue access tool, operated at CDS, Strasbourg, France, and NASA's Astrophysics Data System Service. NR 68 TC 10 Z9 10 U1 2 U2 15 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 1432-0746 J9 ASTRON ASTROPHYS JI Astron. Astrophys. PD APR PY 2015 VL 576 AR A106 DI 10.1051/0004-6361/201424087 PG 17 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA CL9DC UT WOS:000357274600041 ER PT J AU Ade, PAR Aghanim, N Alina, D Alves, MIR Armitage-Caplan, C Amaue, M Arzoumanian, D Ashdown, M Atrio-Barandela, F Aumont, J Baccigalupi, C Banda, AJ Barreiro, RB Battaner, E Benabed, K Benoit-Levy, A Bernard, JP Bersanelli, M Bielewicz, P Bock, JJ Bond, JR Borrill, J Bouchet, FR Boulanger, F Bracco, A Burigana, C Butler, RC Cardoso, JF Catalano, A Chamballu, A Chary, RR Chiang, HC Christensen, PR Colombi, S Colombo, LPL Combet, C Couchot, E Coulais, A Crill, BP Curto, A Cuttaia, E Danese, L Davies, RD Davis, RJ de Bernardis, P Dal Pino, EMD De Rosa, A de Zotti, G Delabrouille, J Desert, FX Dickinson, C Diego, JM Donzelli, S Dore, O Douspis, M Dunkley, J Dupac, X Efstathiou, G Ensslin, TA Eriksen, HK Falgarone, E Ferflere, K Finelli, F Forni, O Frailis, M Fraisse, AA Franceschi, E Galeotta, S Ganga, K Ghosh, T Giard, M Giraud-Heraud, Y Gonzalez-Nuevo, J Gorski, KM Gregorio, A Gruppuse, A Guillet, V Hansen, FK Harrison, DL Helou, G Hernandez-Monteagudo, C Hildebrandt, SR Hivon, E Hobson, M Holmes, WA Hornstrup, A Huffenberger, KM Jaffe, AH Jaffe, TR Jones, WC Juvela, M Keihanen, E Keskitalo, R Kisner, TS Kneissl, R Knoche, J Kunz, M Kurki-Suonio, H Lagache, G Lahteenmaki, A Lamarre, JM Lasenby, A Lawrence, CR Leaiy, JP Leonardi, R Levrier, F Liguori, M Lilje, PB Linden-Vornle, M Lopez-Caniego, M Lubin, PM Macias-Perez, IF Maffei, B Magalhaes, AM Maino, D Mandolesi, N Maris, M Marshall, DJ Martin, PG Martinez-Gonzalez, E Masi, S Matarrese, S Mazzotta, P Melchiorri, A Mendes, L Mennella, N Migliaccio, M Mivile-Deschenes, MA Moneti, A Montier, L Morgante, G Mortlock, D Munshi, D Murphy, A Naselsky, P Nati, E Natoli, P Netterfield, CB Noviello, F Novikov, D Novikov, I Oxborrow, CA Pagano, L Pajot, E Paadini, R Paoletti, D Pasian, E Pearson, TJ Perdereau, O Perotto, L Perrotta, F Piacentini, F Piat, M Pietrobon, D Plaszczynski, S Poidevin, F Pointecouteau, E Polenta, G Popa, L Pratt, GW Prunet, S Puget, JL Rachen, JP Reach, WT Rebolo, R Reinecke, M Remazeilles, M Renault, C Ricciardi, S Riller, T Ristorcelli, I Rocha, G Rosset, C Roudier, G Rubino-Martin, A Rusholme, B Sandri, M Savini, G Scott, D Spencer, LD Stolyarov, V Stompor, R Sudiwala, R Sutton, D Suur-Uski, AS Sygnet, JF Tauber, JA Terenzi, L Toffolatti, L Tomasi, M Tristram, M Tucci, M Umana, G Valenziano, L Valiviita, J Van Tent, B Vielva, P Villa, F Wade, LA Wandelt, BD Zacchei, A Zonca, A AF Ade, P. A. R. Aghanim, N. Alina, D. Alves, M. I. R. Armitage-Caplan, C. Amaue, M. Arzoumanian, D. Ashdown, M. Atrio-Barandela, F. Aumont, J. Baccigalupi, C. Banda, A. J. Barreiro, R. B. Battaner, E. Benabed, K. Benoit-Levy, A. Bernard, J. -P. Bersanelli, M. Bielewicz, P. Bock, J. J. Bond, J. R. Borrill, J. Bouchet, F. R. Boulanger, F. Bracco, A. Burigana, C. Butler, R. C. Cardoso, J. -F. Catalano, A. Chamballu, A. Chary, R. -R. Chiang, H. C. Christensen, P. R. Colombi, S. Colombo, L. P. L. Combet, C. Couchot, F. Coulais, A. Crill, B. P. Curto, A. Cuttaia, E. Danese, L. Davies, R. D. Davis, R. J. de Bernardis, P. de Gouveia Dal Pino, E. M. De Rosa, A. de Zotti, G. Delabrouille, J. Desert, F. -X. Dickinson, C. Diego, J. M. Donzelli, S. Dore, O. Douspis, M. Dunkley, J. Dupac, X. Efstathiou, G. Ensslin, T. A. Eriksen, H. K. Falgarone, E. Ferflere, K. Finelli, F. Forni, O. Frailis, M. Fraisse, A. A. Franceschi, E. Galeotta, S. Ganga, K. Ghosh, T. Giard, M. Giraud-Heraud, Y. Gonzalez-Nuevo, J. Gorski, K. M. Gregorio, A. Gruppuse, A. Guillet, V. Hansen, F. K. Harrison, D. L. Helou, G. Hernandez-Monteagudo, C. Hildebrandt, S. R. Hivon, E. Hobson, M. Holmes, W. A. Hornstrup, A. Huffenberger, K. M. Jaffe, A. H. Jaffe, T. R. Jones, W. C. Juvela, M. Keihaenen, E. Keskitalo, R. Kisner, T. S. Kneissl, R. Knoche, J. Kunz, M. Kurki-Suonio, H. Lagache, G. Lahteenmaki, A. Lamarre, J. -M. Lasenby, A. Lawrence, C. R. Leaiy, J. P. Leonardi, R. Levrier, F. Liguori, M. Lilje, P. B. Linden-Vornle, M. Lopez-Caniego, M. Lubin, P. M. Macias-Perez, I. F. Maffei, B. Magalhaes, A. M. Maino, D. Mandolesi, N. Maris, M. Marshall, D. J. Martin, P. G. Martinez-Gonzalez, E. Masi, S. Matarrese, S. Mazzotta, P. Melchiorri, A. Mendes, L. Mennella, N. Migliaccio, M. Mivile-Deschenes, M. -A. Moneti, A. Montier, L. Morgante, G. Mortlock, D. Munshi, D. Murphy, A. Naselsky, P. Nati, E. Natoli, P. Netterfield, C. B. Noviello, F. Novikov, D. Novikov, I. Oxborrow, C. A. Pagano, L. Pajot, F. Paadini, R. Paoletti, D. Pasian, F. Pearson, T. J. Perdereau, O. Perotto, L. Perrotta, F. Piacentini, F. Piat, M. Pietrobon, D. Plaszczynski, S. Poidevin, F. Pointecouteau, E. Polenta, G. Popa, L. Pratt, G. W. Prunet, S. Puget, J. -L. Rachen, J. P. Reach, W. T. Rebolo, R. Reinecke, M. Remazeilles, M. Renault, C. Ricciardi, S. Riller, T. Ristorcelli, I. Rocha, G. Rosset, C. Roudier, G. Rubino-Martin, A. Rusholme, B. Sandri, M. Savini, G. Scott, D. Spencer, L. D. Stolyarov, V. Stompor, R. Sudiwala, R. Sutton, D. Suur-Uski, A. -S. Sygnet, J. -F. Tauber, J. A. Terenzi, L. Toffolatti, L. Tomasi, M. Tristram, M. Tucci, M. Umana, G. Valenziano, L. Valiviita, J. Van Tent, B. Vielva, P. Villa, F. Wade, L. A. Wandelt, B. D. Zacchei, A. Zonca, A. CA Planck Collaboration TI Planck intermediate results. XIX. An overview of the polarized thermal emission from Galactic dust SO ASTRONOMY & ASTROPHYSICS LA English DT Article DE ISM: general; dust, extinction; ISM: magnetic fields; ISM: clouds; submillimeter: ISM ID PROBE WMAP OBSERVATIONS; RADIATIVE TORQUE ALIGNMENT; FORMING MOLECULAR CLOUDS; MAGNETIC-FIELD GEOMETRY; GRAIN ALIGNMENT; INTERSTELLAR TURBULENCE; ROTATION MEASURES; SOUTHERN SKY; EXTRAGALACTIC SOURCES; 1.4 GHZ AB This paper presents an overview of the polarized sky as seen by Planck HFI at 353GHz, which is the most sensitive Planck channel for dust polarization. We construct and analyse maps of dust polarization fraction and polarization angle at 1 degrees resolution, taking into account noise bias and possible systematic effects. The sensitivity of the Planck HFI polarization measurements allows for the first time a mapping of Galactic dust polarized emission on large scales, including low column density regions. We find that the maximum observed dust polarization fraction is high (p(max) = 19.8%), in particular in some regions of moderate hydrogen column density (N-H < 2 x 10(21) cm(-2)). The polarization fraction displays a large scatter at NH below a few 10(21) cm(-2). There is a general decrease in the dust polarization fraction with increasing column density above N-H similar or equal to 1 x 10(21) cm(-2) and in particular a sharp drop above N-H similar or equal to 1.5 x 10(22) cm(-2). We characterize the spatial structure of the polarization angle using the angle dispersion function. We find that the polarization angle is ordered over extended areas of several square degrees, separated by filamentary structures of high angle dispersion function. These appear as interfaces where the sky projection of the magnetic field changes abruptly without variations in the column density. The polarization fraction is found to be anti-correlated with the dispersion of polarization angles. These results suggest that, at the resolution of 1 degrees, depolarization is due mainly to fluctuations in the magnetic field orientation along the line of sight, rather than to the loss of grain alignment in shielded regions. We also compare the polarization of thermal dust emission with that of synchrotron measured with Planck, low-frequency radio data, and Faraday rotation measurements toward extragalactic sources. These components bear resemblance along the Galactic plane and in some regions such as the Fan and North Polar Spur regions. The poor match observed in other regions shows, however, that dust, cosmic-ray electrons, and thermal electrons generally sample different parts of the line of sight. C1 [Cardoso, J. -F.; Delabrouille, J.; Ganga, K.; Giraud-Heraud, Y.; Piat, M.; Remazeilles, M.; Rosset, C.; Roudier, G.; Stompor, R.] Univ Paris Diderot, Observ Paris, AstroParticule & Cosmol,Sorbonne Paris Cite, APC,CNRS IN2P3,CEA Irfu, F-75205 Paris 13, France. 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[Gorski, K. M.] Univ Warsaw Observ, PL-00478 Warsaw, Poland. RP Bernard, JP (reprint author), Univ Toulouse, UPS OMP, IRAP, F-31028 Toulouse 4, France. EM Jean-Philippe.Bernard@irap.omp.eu RI Butler, Reginald/N-4647-2015; Lahteenmaki, Anne/L-5987-2013; Colombo, Loris/J-2415-2016; de Gouveia Dal Pino, Elisabete/H-9560-2013; Toffolatti, Luigi/K-5070-2014; Novikov, Dmitry/P-1807-2015; Valiviita, Jussi/A-9058-2016; Mazzotta, Pasquale/B-1225-2016; Kurki-Suonio, Hannu/B-8502-2016; Ghosh, Tuhin/E-6899-2016; Tomasi, Maurizio/I-1234-2016; Novikov, Igor/N-5098-2015; Nati, Federico/I-4469-2016; popa, lucia/B-4718-2012; Vielva, Patricio/F-6745-2014; Pearson, Timothy/N-2376-2015; Martinez-Gonzalez, Enrique/E-9534-2015; Piacentini, Francesco/E-7234-2010; Gonzalez-Nuevo, Joaquin/I-3562-2014; Atrio-Barandela, Fernando/A-7379-2017; Stolyarov, Vladislav/C-5656-2017; Barreiro, Rita Belen/N-5442-2014; Remazeilles, Mathieu/N-1793-2015; Gruppuso, Alessandro/N-5592-2015; OI Juvela, Mika/0000-0002-5809-4834; Zacchei, Andrea/0000-0003-0396-1192; Hivon, Eric/0000-0003-1880-2733; Lilje, Per/0000-0003-4324-7794; Paoletti, Daniela/0000-0003-4761-6147; Savini, Giorgio/0000-0003-4449-9416; Villa, Fabrizio/0000-0003-1798-861X; TERENZI, LUCA/0000-0001-9915-6379; Reach, William/0000-0001-8362-4094; Lopez-Caniego, Marcos/0000-0003-1016-9283; Polenta, Gianluca/0000-0003-4067-9196; Butler, Reginald/0000-0003-4366-5996; Sandri, Maura/0000-0003-4806-5375; Huffenberger, Kevin/0000-0001-7109-0099; Burigana, Carlo/0000-0002-3005-5796; Bouchet, Francois/0000-0002-8051-2924; Ricciardi, Sara/0000-0002-3807-4043; Colombo, Loris/0000-0003-4572-7732; de Gouveia Dal Pino, Elisabete/0000-0001-8058-4752; Toffolatti, Luigi/0000-0003-2645-7386; Valiviita, Jussi/0000-0001-6225-3693; Mazzotta, Pasquale/0000-0002-5411-1748; Kurki-Suonio, Hannu/0000-0002-4618-3063; Tomasi, Maurizio/0000-0002-1448-6131; Nati, Federico/0000-0002-8307-5088; Vielva, Patricio/0000-0003-0051-272X; Pearson, Timothy/0000-0001-5213-6231; Martinez-Gonzalez, Enrique/0000-0002-0179-8590; Piacentini, Francesco/0000-0002-5444-9327; Gonzalez-Nuevo, Joaquin/0000-0003-1354-6822; Atrio-Barandela, Fernando/0000-0002-2130-2513; Stolyarov, Vladislav/0000-0001-8151-828X; Barreiro, Rita Belen/0000-0002-6139-4272; Gregorio, Anna/0000-0003-4028-8785; Rubino-Martin, Jose Alberto/0000-0001-5289-3021; De Zotti, Gianfranco/0000-0003-2868-2595; Masi, Silvia/0000-0001-5105-1439; de Bernardis, Paolo/0000-0001-6547-6446; Cuttaia, Francesco/0000-0001-6608-5017; Morgante, Gianluca/0000-0001-9234-7412; Remazeilles, Mathieu/0000-0001-9126-6266; Gruppuso, Alessandro/0000-0001-9272-5292; Maris, Michele/0000-0001-9442-2754; Franceschi, Enrico/0000-0002-0585-6591; Valenziano, Luca/0000-0002-1170-0104; Matarrese, Sabino/0000-0002-2573-1243; Galeotta, Samuele/0000-0002-3748-5115; Pasian, Fabio/0000-0002-4869-3227; WANDELT, Benjamin/0000-0002-5854-8269; Finelli, Fabio/0000-0002-6694-3269; Umana, Grazia/0000-0002-6972-8388; Scott, Douglas/0000-0002-6878-9840; Frailis, Marco/0000-0002-7400-2135 FU ESA; CNES (France); CNRS/INSU-IN2P3-INP (France); ASI (Italy); CNR (Italy); INAF (Italy); NASA (USA); DoE (USA); STFC (UK); UKSA (UK); CSIC (Spain); MICINN, J.A. (Spain); RES (Spain); Tekes (Finland); AoF (Finland); CSC (Finland); DLR (Germany); MPG (Germany); CSA (Canada); DTU Space (Denmark); SER/SSO (Switzerland); RCN (Norway); SFI (Ireland); FCT/M CTES (Portugal); PRACE (EU); European Research Council under the European Union/ERC [267934]; University of Sao Paulo, Brazil [USP 2007.1.433.14.2, COFECUB Uc Te 114/08]; COFECUB, France [USP 2007.1.433.14.2, COFECUB Uc Te 114/08] FX The development of Planck has been supported by: ESA; CNES and CNRS/INSU-IN2P3-INP (France); ASI, CNR, and INAF (Italy); NASA and DoE (USA); STFC and UKSA (UK); CSIC, MICINN, J.A., and RES (Spain); Tekes, AoF, and CSC (Finland); DLR and MPG (Germany); CSA (Canada); DTU Space (Denmark); SER/SSO (Switzerland); RCN (Norway); SFI (Ireland); FCT/M CTES (Portugal); and PRACE (EU). A description of the Planck Collaboration and a list of its members, including the technical or scientific activities in which they have been involved, can be found at http://www.sciops.esa.int/index.php?project=planck&page=Planck_Collabora tion. The research leading to these results has received funding from the European Research Council under the European Union's Seventh Framework Programme (FP7/2007-2013)/ERC grant agreement no 267934 and from a joint agreement between University of Sao Paulo, Brazil, and COFECUB, France (grant nos. USP 2007.1.433.14.2 and COFECUB Uc Te 114/08). We acknowledge the use of the Legacy Archive for Microwave Background Data Analysis (LAMBDA), part of the High Energy Astrophysics Science Archive Center (HEASARC). HEASARC/LAMBDA is a service of the Astrophysics Science Division at the NASA Goddard Space Flight Center. Some of the results in this paper have been derived using the HEALPix package. NR 119 TC 44 Z9 44 U1 1 U2 13 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 1432-0746 J9 ASTRON ASTROPHYS JI Astron. Astrophys. PD APR PY 2015 VL 576 AR A104 DI 10.1051/0004-6361/201424082 PG 33 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA CL9DC UT WOS:000357274600039 ER PT J AU Aleksic, J Ansokli, S Antonelli, LA Antoranz, P Babic, A Bangale, P de Almeida, UB Barrio, JA Gonzalez, JB Bednarek, W Berger, K Bernardini, E Bilandli, A Bianch, O Bock, RK Bonnefoy, S Bonnoli, G Borracci, F Bretzi, T Carmona, E Carosi, A Fidalgo, DC Colin, P Colombo, E Contreras, JL Cortina, J Covino, S Da Vela, P Dazzi, F De Angelis, A De Caneva, G De Lotto, B Mendez, CD Doert, M Dominguez, A Prester, DD Dorner, D Doro, M Einecke, S Eisenacher, D Elsaesser, D Farina, E Ferenc, D Fonseca, MV Font, L Frantzen, K Fruck, C Lopez, RJG Garczarczyki, M Terrats, DG Gaug, M Giavitto, G Godinovic, N Munoz, AG Gozzini, SR Hadamek, A Hadasch, D Herrero, A Hildebrand, D Hose, J Hrupec, D Idec, W Kadenius, V Kellermann, H Knoetig, ML Krause, J Kushida, J La Barbera, A Lelas, D Lewandowska, N Lindfors, E Longo, F Lombardi, S Lopez, M Lopez-Coto, R Lopez-Oramas, A Lorenz, E Lozano, I Makariev, M Mallot, K Maneva, G Mankuzhiyil, N Mannheim, K Maraschi, L Marcote, B Mariotti, M Martinez, M Mazin, D Menzel, U Meucci, M Miranda, JM Mirzoyan, R Moralejo, A Munar-Adrover, P Nakajima, D Niedzwiecki, A Nilsson, K Nowak, N Orito, R Overkemping, A Paiano, S Palatiello, M Paneque, D Paoletti, R Paredes, JM Paredes-Fortuny, X Partini, S Persic, M Prada, F Moroni, PGP Prandini, E Preziuso, S Puljak, I Reinthal, R Rhode, W Ribo, M Rico, J Garcia, JR Rugamer, S Saggion, A Saito, K Salvati, M Satalecka, K Scalzotto, V Scapin, V Schuliz, C Schweizer, T Shore, SN Sillanpaa, A Sitarek, J Snidaric, I Sobczynska, D Spanier, F Stamatescu, V Stamerra, A Steinbring, T Storz, J Sun, S Suric, T Takalo, L Tavecchio, F Temnikov, P Terzic, T Tescaro, D Teshima, M Thaele, J Tibolla, O Torres, DF Toyama, T Treves, A Uellenbeck, M Vogler, P Wagner, RM Zandanel, F Zanin, R Archambault, S Behera, B Beilicke, M Benbow, W Bird, R Buckley, JH Bugaev, V Cerruti, M Chen, X Ciupik, L Collins-Hughes, E Cui, W Dumm, J Eisch, JD Falcone, A Federici, S Feng, Q Finley, JP Fleischhack, H Fortin, P Fortson, L Furniss, A Griffin, S Griffiths, ST Grube, J Gyuk, G Hanna, D Holder, J Hughes, G Humensky, TB Johnson, CA Kaaret, P Kertzman, M Khassen, Y Kieda, D Krawczynski, H Krennrich, F Kumar, S Lang, MJ Maier, G McArthur, S Meagher, K Moriarty, P Mukherjee, R Ong, RA Otte, AN Park, N Pichel, A Pohl, M Popkow, A Prokoph, H Quinn, MJ Ragan, K Rajotte, J Reynolds, PT Richards, GT Roache, E Rovero, AC Sembroski, GH Shahinyan, K Staszak, D Telezhinsky, I Theiling, M Tucci, JV Tyler, J Varlotta, A Wakely, SP Weekes, TC Weinstein, A Welsing, R Wilhelm, A Williams, DA Zitzer, B Villata, M Raiteri, C Aller, HD Aller, MF Chen, WP Jordan, B Koptelova, E Kurtanidze, OM Lahteenmak, A McBreen, B Larionov, VM Lin, CS Nikolashvili, MG Angelakis, E Capalbi, M Carraminana, A Carrasco, L Cassaro, P Cesarini, A Fuhrmann, L Giroletti, M Hovatta, T Krichbaum, TP Krimm, HA Max-Moerbeck, W Moody, JW Maccaferri, G Mori, Y Nestoras, I Orlati, A Pace, C Pearson, R Perri, M Readhead, ACS Richards, JL Sadun, AC Sakamoto, T Tammi, J Tornikoski, M Yatsu, Y Zook, A AF Aleksic, J. Ansokli, S. Antonelli, L. A. Antoranz, P. Babic, A. Bangale, P. de Almeida, U. Barres Barrio, J. A. Gonzalez, J. Becerra Bednarek, W. Berger, K. Bernardini, E. Bilandli, A. Bianch, O. Bock, R. K. Bonnefoy, S. Bonnoli, G. Borracci, F. Bretz, T. Carmona, E. Carosi, A. Fidalgo, D. Carreto Colin, P. Colombo, E. Contreras, J. L. Cortina, J. Covino, S. Da Vela, P. Dazzi, F. De Angelis, A. De Caneva, G. De Lotto, B. Delgado Mendez, C. Doert, M. Dominguez, A. Prester, D. Dominis Dorner, D. Doro, M. Einecke, S. Eisenacher, D. Elsaesser, D. Farina, E. Ferenc, D. Fonseca, M. V. Font, L. Frantzen, K. Fruck, C. Garcia Lopez, R. J. Garczarczyki, M. Garrido Terrats, D. Gaug, M. Giavitto, G. Godinovic, N. Gonzalez Munoz, A. Gozzini, S. R. Hadamek, A. Hadasch, D. Herrero, A. Hildebrand, D. Hose, J. Hrupec, D. Idec, W. Kadenius, V. Kellermann, H. Knoetig, M. L. Krause, J. Kushida, J. La Barbera, A. Lelas, D. Lewandowska, N. Lindfors, E. Longo, F. Lombardi, S. Lopez, M. Lopez-Coto, R. Lopez-Oramas, A. Lorenz, E. Lozano, I. Makariev, M. Mallot, K. Maneva, G. Mankuzhiyil, N. Mannheim, K. Maraschi, L. Marcote, B. Mariotti, M. Martinez, M. Mazin, D. Menzel, U. Meucci, M. Miranda, J. M. Mirzoyan, R. Moralejo, A. Munar-Adrover, P. Nakajima, D. Niedzwiecki, A. Nilsson, K. Nowak, N. Orito, R. Overkemping, A. Paiano, S. Palatiello, M. Paneque, D. Paoletti, R. Paredes, J. M. Paredes-Fortuny, X. Partini, S. Persic, M. Prada, F. Moroni, P. G. Prada Prandini, E. Preziuso, S. Puljak, I. Reinthal, R. Rhode, W. Ribo, M. Rico, J. Garcia, J. Rodriguez Ruegamer, S. Saggion, A. Saito, K. Salvati, M. Satalecka, K. Scalzotto, V. Scapin, V. Schuliz, C. Schweizer, T. Shore, S. N. Sillanpaa, A. Sitarek, J. Snidaric, I. Sobczynska, D. Spanier, F. Stamatescu, V. Stamerra, A. Steinbring, T. Storz, J. Sun, S. Suric, T. Takalo, L. Tavecchio, F. Temnikov, P. Terzic, T. Tescaro, D. Teshima, M. Thaele, J. Tibolla, O. Torres, D. F. Toyama, T. Treves, A. Uellenbeck, M. Vogler, P. Wagner, R. M. Zandanel, F. Zanin, R. Archambault, S. Behera, B. Beilicke, M. Benbow, W. Bird, R. Buckley, J. H. Bugaev, V. Cerruti, M. Chen, X. Ciupik, L. Collins-Hughes, E. Cui, W. Dumm, J. Eisch, J. D. Falcone, A. Federici, S. Feng, Q. Finley, J. P. Fleischhack, H. Fortin, P. Fortson, L. Furniss, A. Griffin, S. Griffiths, S. T. Grube, J. Gyuk, G. Hanna, D. Holder, J. Hughes, G. Humensky, T. B. Johnson, C. A. Kaaret, P. Kertzman, M. Khassen, Y. Kieda, D. Krawczynski, H. Krennrich, F. Kumar, S. Lang, M. J. Maier, G. McArthur, S. Meagher, K. Moriarty, P. Mukherjee, R. Ong, R. A. Otte, A. N. Park, N. Pichel, A. Pohl, M. Popkow, A. Prokoph, H. Quinn, M. J. Ragan, K. Rajotte, J. Reynolds, P. T. Richards, G. T. Roache, E. Rovero, A. C. Sembroski, G. H. Shahinyan, K. Staszak, D. Telezhinsky, I. Theiling, M. Tucci, J. V. Tyler, J. Varlotta, A. Wakely, S. P. Weekes, T. C. Weinstein, A. Welsing, R. Wilhelm, A. Williams, D. A. Zitzer, B. Villata, M. Raiteri, C. Aller, H. D. Aller, M. F. Chen, W. P. Jordan, B. Koptelova, E. Kurtanidze, O. M. Lahteenmak, A. McBreen, B. Larionov, V. M. Lin, C. S. Nikolashvili, M. G. Angelakis, E. Capalbi, M. Carraminana, A. Carrasco, L. Cassaro, P. Cesarini, A. Fuhrmann, L. Giroletti, M. Hovatta, T. Krichbaum, T. P. Krimm, H. A. Max-Moerbeck, W. Moody, J. W. Maccaferri, G. Mori, Y. Nestoras, I. Orlati, A. Pace, C. Pearson, R. Perri, M. Readhead, A. C. S. Richards, J. L. Sadun, A. C. Sakamoto, T. Tammi, J. Tornikoski, M. Yatsu, Y. Zook, A. CA MAGIC Collaboration VERITAS Collaboration MAGIC Collaboration TI The 2009 multiwavelength campaign on Mrk 421: Variability and correlation studies SO ASTRONOMY & ASTROPHYSICS LA English DT Article DE BL Lacertae objects: individual: Mrk 421 ID ACTIVE GALACTIC NUCLEI; X-RAY VARIABILITY; LIGHT CURVES; OPTICAL VARIABILITY; POWER SPECTRA; TEV PHOTONS; EMISSION; BLAZARS; MARKARIAN-421; TELESCOPE AB Aims. We perform an extensive characterization of the broadband emission of Mrk 421, as well as its temporal evolution, during the non-flaring (low) state. The high brightness and nearby location (z = 0.031) of Mrk 421 make it an excellent laboratory to study blazar emission. The goal is to learn about the physical processes responsible for the typical emission of Mrk 421, which might also be extended to other blazars that are located farther away and hence are more difficult to study. Methods. We performed a 4.5-month multi-instrument campaign on Mrk 421 between January 2009 and June 2009, which included VLBA, F-GAMMA, GASP-WEBT, Swift, RXTE, Fermi-LAT, MAGIC, and Whipple, among other instruments and collaborations. This extensive radio to very-high-energy (VHE; E > 100 GeV) gamma-ray dataset provides excellent temporal and energy coverage, which allows detailed studies of the evolution of the broadband spectral energy distribution. Results. Mrk421 was found in its typical (non-flaring) activity state, with a VHE flux of about half that of the Crab Nebula, yet the light curves show significant variability at all wavelengths, the highest variability being in the X-rays. We determined the power spectral densities (PSD) at most wavelengths and found that all PSDs can be described by power-laws without a break, and with indices consistent with pink/red-noise behavior. We observed a harder-when-brighter behavior in the X-ray spectra and measured a positive correlation between VHE and X-ray fluxes with zero time lag. Such characteristics have been reported many times during flaring activity, but here they are reported for the first time in the non-flaring state. We also observed an overall anti-correlation between optical /UV and X-rays extending over the duration of the campaign. Conclusions. The harder-when-brighter behavior in the X-ray spectra and the measured positive X-ray/VHE correlation during the 2009 multiwavelength campaign suggests that the physical processes dominating the emission during non-flaring states have similarities with those occurring during flaring activity. In particular, this observation supports leptonic scenarios as being responsible for the emission of Mrk 421 during non-flaring activity. Such a temporally extended X-ray /VHE correlation is not driven by any single flaring event, and hence is difficult to explain within the standard hadronic scenarios. The highest variability is observed in the X-ray band, which, within the one-zone synchrotron self-Compton scenario, indicates that the electron energy distribution is most variable at the highest energies. C1 [Aleksic, J.; Bianch, O.; Cortina, J.; Giavitto, G.; Gonzalez Munoz, A.; Lopez-Coto, R.; Lopez-Oramas, A.; Martinez, M.; Moralejo, A.; Rico, J.; Sitarek, J.; Stamatescu, V.] IFAE, Bellaterra 08193, Spain. [Ansokli, S.; Dazzi, F.; De Angelis, A.; De Lotto, B.; Longo, F.; Mankuzhiyil, N.; Palatiello, M.; Persic, M.] Univ Udine, I-33100 Udine, Italy. [Ansokli, S.; Dazzi, F.; De Angelis, A.; De Lotto, B.; Longo, F.; Mankuzhiyil, N.; Palatiello, M.; Persic, M.] INFN Trieste, I-33100 Udine, Italy. [Antonelli, L. A.; Bonnoli, G.; Carosi, A.; Covino, S.; La Barbera, A.; Lombardi, S.; Maraschi, L.; Salvati, M.; Stamerra, A.; Tavecchio, F.; Perri, M.] INAF Natl Inst Astrophys, I-00136 Rome, Italy. [Antoranz, P.; Da Vela, P.; Meucci, M.; Miranda, J. M.; Paoletti, R.; Partini, S.; Preziuso, S.] Univ Siena, I-53100 Siena, Italy. [Antoranz, P.; Da Vela, P.; Meucci, M.; Miranda, J. M.; Paoletti, R.; Partini, S.; Preziuso, S.] INFN Pisa, I-53100 Siena, Italy. [Babic, A.; Prester, D. Dominis; Ferenc, D.; Godinovic, N.; Hrupec, D.; Lelas, D.; Puljak, I.; Snidaric, I.; Suric, T.; Terzic, T.] Univ Rijeka, Rudjer Boskovic Inst, Croatian MAG Consortium, Zagreb 10000, Croatia. [Bangale, P.; de Almeida, U. Barres; Bock, R. K.; Borracci, F.; Colin, P.; Fruck, C.; Hose, J.; Kellermann, H.; Krause, J.; Lorenz, E.; Mazin, D.; Menzel, U.; Mirzoyan, R.; Nowak, N.; Paneque, D.; Garcia, J. Rodriguez; Schweizer, T.; Sun, S.; Teshima, M.; Toyama, T.; Wagner, R. M.] Max Planck Inst Phys & Astrophys, D-80805 Munich, Germany. [Barrio, J. A.; Bonnefoy, S.; Contreras, J. L.; Fonseca, M. V.; Lopez, M.; Lozano, I.; Satalecka, K.; Scapin, V.] Univ Complutense, E-28040 Madrid, Spain. [Gonzalez, J. Becerra; Berger, K.; Colombo, E.; Garcia Lopez, R. J.; Herrero, A.; Tescaro, D.] Inst Astrofis Canarias, Tenerife 38200, Spain. [Bednarek, W.; Idec, W.; Niedzwiecki, A.; Sobczynska, D.] Univ Lodz, PL-90236 Lodz, Poland. [Bernardini, E.; De Caneva, G.; Garczarczyki, M.; Gozzini, S. R.; Mallot, K.; Behera, B.; Fleischhack, H.; Hughes, G.; Maier, G.; Prokoph, H.; Welsing, R.] Deutsch Elektronen Synchrotron DESY, D-15738 Zeuthen, Germany. [Bilandli, A.; Hildebrand, D.; Knoetig, M. L.; Vogler, P.] ETH, CH-8093 Zurich, Switzerland. [Bretz, T.; Fidalgo, D. Carreto; Dorner, D.; Eisenacher, D.; Elsaesser, D.; Lewandowska, N.; Mannheim, K.; Ruegamer, S.; Spanier, F.; Steinbring, T.; Storz, J.; Tibolla, O.] Univ Wurzburg, D-97074 Wurzburg, Germany. [Carmona, E.; Delgado Mendez, C.] Ctr Invest Energet Medioambientales & Tecnol, Madrid 28040, Spain. [Doert, M.; Einecke, S.; Frantzen, K.; Hadamek, A.; Overkemping, A.; Rhode, W.; Thaele, J.; Uellenbeck, M.] Tech Univ Dortmund, D-44221 Dortmund, Germany. [Dominguez, A.; Prada, F.; Zandanel, F.] CSIC, Inst Astrofis Andalucia, Granada 18080, Spain. [Doro, M.; Mariotti, M.; Paiano, S.; Prandini, E.; Saggion, A.; Scalzotto, V.; Schuliz, C.] Univ Padua, I-35131 Padua, Italy. [Doro, M.; Mariotti, M.; Paiano, S.; Prandini, E.; Saggion, A.; Scalzotto, V.; Schuliz, C.] Ist Nazl Fis Nucl, I-35131 Padua, Italy. [Farina, E.; Treves, A.] Univ Insubria, I-22100 Como, Como, Italy. [Font, L.; Garrido Terrats, D.; Gaug, M.] Univ Autonoma Barcelona, Dept Fis, Unitat Fis Radiac, Bellaterra 08193, Spain. [Font, L.; Garrido Terrats, D.; Gaug, M.] Univ Autonoma Barcelona, CERES IEEC, Bellaterra 08193, Spain. [Hadasch, D.; Torres, D. F.] Inst Ciencies Espai IEEC CSIC, Bellaterra 08193, Spain. [Kadenius, V.; Lindfors, E.; Nilsson, K.; Reinthal, R.; Sillanpaa, A.; Takalo, L.] Univ Oulu, Tuorla Observ, Finnish MAG Consortium, Oulu 900147, Finland. [Kadenius, V.; Lindfors, E.; Nilsson, K.; Reinthal, R.; Sillanpaa, A.; Takalo, L.] Univ Oulu, Dept Phys, Oulu 900147, Finland. [Kushida, J.; Nakajima, D.; Orito, R.; Saito, K.] Kyoto Univ, Div Phys & Astron, Japanese MAG Consortium, Kyoto 6068501, Japan. [Makariev, M.; Maneva, G.; Temnikov, P.] Bulgarian Acad Sci, Inst Nucl Res & Nucl Energy, BU-1784 Sofia, Bulgaria. [Marcote, B.; Munar-Adrover, P.; Paredes, J. M.; Paredes-Fortuny, X.; Ribo, M.; Zanin, R.] Univ Barcelona ICC IEEC, Barcelona 08028, Spain. [Moroni, P. G. Prada; Shore, S. N.] Univ Pisa, I-56126 Pisa, Italy. [Moroni, P. G. Prada; Shore, S. N.] Ist Nazl Fis Nucl, I-56126 Pisa, Italy. [Archambault, S.; Griffin, S.; Hanna, D.; Ragan, K.; Rajotte, J.; Staszak, D.] McGill Univ, Dept Phys, Montreal, PQ H3A 2T8, Canada. [Chen, X.; Federici, S.; Telezhinsky, I.; Wilhelm, A.] DESY, D-15738 Zeuthen, Germany. [Beilicke, M.; Buckley, J. H.; Bugaev, V.; Krawczynski, H.; Tyler, J.] Washington Univ, Dept Phys, St Louis, MO 63130 USA. [Benbow, W.; Cerruti, M.; Roache, E.; Weekes, T. C.] Harvard Smithsonian Ctr Astrophys, Fred Lawrence Whipple Observ, Amado, AZ 85645 USA. [Bird, R.; Collins-Hughes, E.; Khassen, Y.; Quinn, M. 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[Mukherjee, R.] Columbia Univ Barnard Coll, Dept Phys & Astron, New York, NY 10027 USA. [Ong, R. A.; Popkow, A.] Univ Calif Los Angeles, Dept Phys & Astron, Los Angeles, CA 90095 USA. [Pichel, A.; Rovero, A. C.] Inst Astron & Fis Espacio, RA-1428 Buenos Aires, DF, Argentina. [Reynolds, P. T.] Cork Inst Technol, Dept Appl Phys & Instrumentat, Cork, Ireland. [Zitzer, B.] Argonne Natl Lab, Argonne, IL 60439 USA. [Fortin, P.] Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. [Villata, M.; Raiteri, C.] INAF Osservatorio Astron Torino, I-10025 Pino Torinese, TO, Italy. [Aller, H. D.; Aller, M. F.] Univ Michigan, Dept Astron, Ann Arbor, MI 48109 USA. [Chen, W. P.; Koptelova, E.; Lin, C. S.] Natl Cent Univ, Grad Inst Astron, Jhongli 32054, Taiwan. [Jordan, B.] Dublin Inst Adv Studies, Sch Cosm Phys, Dublin 2, Ireland. [Koptelova, E.] Moscow MV Lomonosov State Univ, Sternberg Astron Inst, Moscow 119992, Russia. [Kurtanidze, O. M.; Nikolashvili, M. G.] Abastumani Observ, GE-0301 Mt Kanobili, Abastumani, Rep of Georgia. [Kurtanidze, O. M.] Heidelberg Univ, Zentrum Astron, Landessternwarte, D-69117 Heidelberg, Germany. [Lahteenmak, A.; Hovatta, T.; Tammi, J.; Tornikoski, M.] Aalto Univ, Metsahovi Radio Observ, Kylmala 02540, Finland. [Lahteenmak, A.; Tammi, J.] Aalto Univ, Dept Radio Sci & Engn, Aalto 00076, Finland. [McBreen, B.] Natl Univ Ireland Univ Coll Dublin, Dublin 4, Ireland. [Larionov, V. M.] Isaac Newton Inst Chile, St Petersburg Branch, St Petersburg 196140, Russia. [Larionov, V. M.] Pulkovo Observ, St Petersburg 196140, Russia. [Larionov, V. M.] St Petersburg State Univ, Astron Inst, St Petersburg 198504, Russia. [Angelakis, E.; Fuhrmann, L.; Krichbaum, T. P.; Nestoras, I.] Max Planck Inst Radioastron, D-53121 Bonn, Germany. [Carraminana, A.; Carrasco, L.] Inst Nacl Astrofis Opt & Electr, Puebla 72840, Mexico. [Cassaro, P.] INAF Ist Radioastron, Sez Noto, I-96017 Noto, SR, Italy. [Cesarini, A.] Univ Trento, Dept Phys, I-38050 Povo, Trento, Italy. [Hovatta, T.; Max-Moerbeck, W.; Readhead, A. C. S.] CALTECH, Cahill Ctr Astron & Astrophys, Pasadena, CA 91125 USA. [Krimm, H. A.] PN Lebedev Phys Inst, Ctr Astro Space, Moscow 117997, Russia. [Krimm, H. A.] CRESST, Greenbelt, MD 20771 USA. [Krimm, H. A.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. [Pace, C.] Indiana Univ, Dept Astron, Bloomington, IN 47405 USA. [Moody, J. W.; Pearson, R.] Brigham Young Univ, Dept Phys & Astron, Provo, UT 84602 USA. [Maccaferri, G.; Orlati, A.] INAF Ist Radioastron, Stn Radioastron Med, I-40059 Bologna, Italy. [Mori, Y.; Yatsu, Y.] Tokyo Inst Technol, Dept Phys, Meguro, Tokyo 1528551, Japan. [Capalbi, M.; Perri, M.] ASI Sci Data Ctr, I-00133 Rome, Italy. [Richards, J. L.] Purdue Univ, Dept Phys, W Lafayette, IN 47907 USA. [Sadun, A. C.] Univ Colorado, Dept Phys, Denver, CO 80220 USA. [Sakamoto, T.] Aoyama Gakuin Univ, Coll Sci & Engn 952, Dept Math & Phys, Chuo Ku, Sagamihara, Kanagawa 2525258, Japan. [Zook, A.] Pomona Coll, Dept Phys & Astron, Claremont, CA 91711 USA. [Giroletti, M.] INAF Ist Radioastron, I-40129 Bologna, Italy. [Prada, F.] UAM, CSIC, Inst Fis Teor, Madrid, Spain. RP Nowak, N (reprint author), Max Planck Inst Phys & Astrophys, D-80805 Munich, Germany. EM nina.nowak@astro.su.se; dpaneque@mppmu.mpg.de RI Fonseca Gonzalez, Maria Victoria/I-2004-2015; Barrio, Juan/L-3227-2014; Martinez Rodriguez, Manel/C-2539-2017; Cortina, Juan/C-2783-2017; Khassen, Yerbol/I-3806-2015; Torres, Diego/O-9422-2016; Delgado, Carlos/K-7587-2014; Larionov, Valeri/H-1349-2013; GAug, Markus/L-2340-2014; Miranda, Jose Miguel/F-2913-2013; Stamatescu, Victor/C-9945-2016; Tammi, Joni/G-2959-2012; Font, Lluis/L-4197-2014; Contreras Gonzalez, Jose Luis/K-7255-2014; Lopez Moya, Marcos/L-2304-2014; Temnikov, Petar/L-6999-2016; Maneva, Galina/L-7120-2016; Makariev, Martin/M-2122-2016 OI Covino, Stefano/0000-0001-9078-5507; Bonnoli, Giacomo/0000-0003-2464-9077; Antonelli, Lucio Angelo/0000-0002-5037-9034; Stamerra, Antonio/0000-0002-9430-5264; Prandini, Elisa/0000-0003-4502-9053; Cesarini, Andrea/0000-0002-8611-8610; Fonseca Gonzalez, Maria Victoria/0000-0003-2235-0725; De Lotto, Barbara/0000-0003-3624-4480; Perri, Matteo/0000-0003-3613-4409; Raiteri, Claudia Maria/0000-0003-1784-2784; Otte, Adam Nepomuk/0000-0002-5955-6383; Giroletti, Marcello/0000-0002-8657-8852; Bird, Ralph/0000-0002-4596-8563; Angelakis, Emmanouil/0000-0001-7327-5441; Doro, Michele/0000-0001-9104-3214; Barrio, Juan/0000-0002-0965-0259; Cortina, Juan/0000-0003-4576-0452; Orlati, Andrea/0000-0001-8737-255X; Dominguez, Alberto/0000-0002-3433-4610; Farina, Emanuele Paolo/0000-0002-6822-2254; Villata, Massimo/0000-0003-1743-6946; Cassaro, Pietro/0000-0001-5139-9662; Prada Moroni, Pier Giorgio/0000-0001-9712-9916; LA BARBERA, ANTONINO/0000-0002-5880-8913; Cui, Wei/0000-0002-6324-5772; Khassen, Yerbol/0000-0002-7296-3100; Becerra Gonzalez, Josefa/0000-0002-6729-9022; Torres, Diego/0000-0002-1522-9065; Delgado, Carlos/0000-0002-7014-4101; Larionov, Valeri/0000-0002-4640-4356; GAug, Markus/0000-0001-8442-7877; Miranda, Jose Miguel/0000-0002-1472-9690; Stamatescu, Victor/0000-0001-9030-7513; Tammi, Joni/0000-0002-9164-2695; Font, Lluis/0000-0003-2109-5961; Contreras Gonzalez, Jose Luis/0000-0001-7282-2394; Lopez Moya, Marcos/0000-0002-8791-7908; Temnikov, Petar/0000-0002-9559-3384; FU German BMBF and MPG; Italian INFN and INAF; Swiss National Fund SNF; ERDF under the Spanish MINECO; Japanese JSPS; MEXT; Centro de Excelencia Severo Ochoa [SEV-2012-0234]; CPAN [CSD2007-00042]; Spanish Consolider-Ingenio [CSD2009-00064]; Academy of Finland [268740, 212656, 210338, 121148]; Croatian Science Foundation [09/176]; University of Rijeka [13.12.1.3.02]; DFG Collaborative Research Centers [SFB823/C4, SFB876/C3]; Polish MNiSzW [745/N-HESS-MAGIC/2010/0]; US Department of Energy; US National Science Foundation; Smithsonian Institution; NSERC in Canada; Science Foundation Ireland; STCF in the UK; NASA [NNX08AW31G, NNX11A043G]; NSF [AST-0808050, AST-1109911]; Shota Rustaveli National Science Foundation [FR/577/6-320/13]; Russian RFBR foundation [09-02-00092] FX We would like to thank the referee for the useful comments that helped to improve the manuscript. We also thank Patricia Arevalo for helpful contributions and suggestions. The MAGIC collaboration would like to thank the Instituto de Astrofisica de Canarias for the excellent working conditions at the Observatorio del Roque de los Muchachos in La Palma. The financial support of the German BMBF and MPG, the Italian INFN and INAF, the Swiss National Fund SNF, the ERDF under the Spanish MINECO, and the Japanese JSPS and MEXT is gratefully acknowledged. This work was also supported by the Centro de Excelencia Severo Ochoa SEV-2012-0234, CPAN CSD2007-00042, and MultiDark CSD2009-00064 projects of the Spanish Consolider-Ingenio 2010 programme, by grant 268740 of the Academy of Finland, by the Croatian Science Foundation (HrZZ) Project 09/176 and the University of Rijeka Project 13.12.1.3.02, by the DFG Collaborative Research Centers SFB823/C4 and SFB876/C3, and by the Polish MNiSzW grant 745/N-HESS-MAGIC/2010/0. The VERITAS collaboration acknowledges support from the US Department of Energy, the US National Science Foundation and the Smithsonian Institution, by NSERC in Canada, by Science Foundation Ireland, and by STCF in the UK. We acknowledge the excellent work of the technical support at the FLWO and the collaboration institutions in the construction and operation of the instrument. The Fermi-LAT Collaboration acknowledges support from a number of agencies and institutes for both development and the operation of the LAT as well as scientific data analysis. These include NASA and DOE in the United States, CEA/Irfu and IN2P3/CNRS in France, ASI and INFN in Italy, MEXT, KEK, and JAXA in Japan, and the K. A. Wallenberg Foundation, the Swedish Research Council and the National Space Board in Sweden. Additional support from INAF in Italy and CNES in France for science analysis during the operations phase is also gratefully acknowledged. We acknowledge the use of public data from the Swift and RXTE data archives. The OVRO 40 m monitoring program is supported in part by NASA grants NNX08AW31G and NNX11A043G, and NSF grants AST-0808050 and AST-1109911. The Metsahovi team acknowledges the support from the Academy of Finland to our observing projects (numbers 212656, 210338, 121148, and others). The Abastumani Observatory team acknowledges financial support by the Shota Rustaveli National Science Foundation through project FR/577/6-320/13. The St. Petersburg University team acknowledges support from the Russian RFBR foundation via grant 09-02-00092. AZT-24 observations are made within an agreement between Pulkovo, Rome and Teramo observatories. This research is partly based on observations with the 100 m telescope of the MPIfR (Max-Planck-Institut fuer Radioastronomie) at Effelsberg, as well as with the Medicina and Noto telescopes operated by INAF Istituto di Radioastronomia. M. Villata organized the optical-to-radio observations by GASP-WEBT as the president of the collaboration. NR 45 TC 9 Z9 9 U1 3 U2 27 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 1432-0746 J9 ASTRON ASTROPHYS JI Astron. Astrophys. PD APR PY 2015 VL 576 AR A126 DI 10.1051/0004-6361/201424216 PG 18 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA CL9DC UT WOS:000357274600061 ER PT J AU Grinberg, V Leutenegger, MA Hell, N Pottschmidt, K Bock, M Garcia, JA Hanke, M Nowak, MA Sundqvist, JO Townsend, RHD Wilms, J AF Grinberg, V. Leutenegger, M. A. Hell, N. Pottschmidt, K. Boeck, M. Garcia, J. A. Hanke, M. Nowak, M. A. Sundqvist, J. O. Townsend, R. H. D. Wilms, J. TI Long term variability of Cygnus X-1 VII. Orbital variability of the focussed wind in Cyg X-1/HDE 226868 system SO ASTRONOMY & ASTROPHYSICS LA English DT Article DE stars: individual: Cyg X-1; X-rays: binaries; binaries : close; stars: winds, outflows ID RAY-TIMING-EXPLORER; HOT-STAR WINDS; PROPORTIONAL COUNTER ARRAY; LINE-DRIVEN INSTABILITY; LUMINOUS OB STARS; X-RAY; MASS-LOSS; STELLAR WIND; BLACK-HOLE; SUPERORBITAL VARIABILITY AB Binary systems with an accreting compact object off er a unique opportunity to investigate the strong, clumpy, line-driven winds of early-type supergiants by using the compact object's X-rays to probe the wind structure. We analyze the two-component wind of HDE 226868, the O9.7Iab giant companion of the black hole Cyg X-1, using 4.77 Ms Rossi X-ray Timing Explorer (RXTE) observations of the system taken over the course of 16 years. Absorption changes strongly over the 5.6 d binary orbit, but also shows a large scatter at a given orbital phase, especially at superior conjunction. The orbital variability is most prominent when the black hole is in the hard X-ray state. Our data are poorer for the intermediate and soft state, but show signs for orbital variability of the absorption column in the intermediate state. We quantitatively compare the data in the hard state to a toy model of a focussed Castor-Abbott-Klein wind: as it does not incorporate clumping, the model does not describe the observations well. A qualitative comparison to a simplified simulation of clumpy winds with spherical clumps shows good agreement in the distribution of the equivalent hydrogen column density for models with a porosity length on the order of the stellar radius at inferior conjunction; we conjecture that the deviations between data and model at superior conjunction could either be due to lack of a focussed wind component in the model or to a more complicated clump structure. C1 [Grinberg, V.; Nowak, M. A.] MIT, Kavli Inst Astrophys & Space Res, Cambridge, MA 02139 USA. [Leutenegger, M. A.; Pottschmidt, K.] Univ Maryland Baltimore Cty, CRESST, Baltimore, MD 21250 USA. [Leutenegger, M. A.; Pottschmidt, K.] NASA, Goddard Space Flight Ctr, Astrophys Sci Div, Greenbelt, MD 20771 USA. [Hell, N.; Boeck, M.; Hanke, M.; Wilms, J.] FAU Erlangen Nrnberg, Dr Karl Remeis Sternwarte, D-96049 Bamberg, Germany. [Hell, N.; Boeck, M.; Hanke, M.; Wilms, J.] FAU Erlangen Nrnberg, ECAP, D-96049 Bamberg, Germany. [Hell, N.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Boeck, M.] Max Planck Inst Radioastron, D-53121 Bonn, Germany. [Garcia, J. A.] Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. [Sundqvist, J. O.] Univ Delaware, Bartol Res Inst, Newark, DE 19716 USA. [Sundqvist, J. O.] Univ Munich, Inst Astron & Astrophys, D-81679 Munich, Germany. [Townsend, R. H. D.] Univ Wisconsin, Dept Astron, Madison, WI 53706 USA. RP Grinberg, V (reprint author), MIT, Kavli Inst Astrophys & Space Res, 77 Massachusetts Ave, Cambridge, MA 02139 USA. EM grinberg@space.mit.edu RI Wilms, Joern/C-8116-2013 OI Wilms, Joern/0000-0003-2065-5410 FU NASA through the Smithsonian Astrophysical Observatory (SAO) [SV3-73016]; NASA [NAS8-03060, NNX12AE37G, NNX12AC72G]; LLNL [DE-AC52-07NA27344]; NASA/GSFC; Bundesministerium fur Wirtschaft und Technologie through Deutsches Zentrum fur Luft- und Raumfahrt [50 OR 1113] FX Support for this work was provided by NASA through the Smithsonian Astrophysical Observatory (SAO) contract SV3-73016 to MIT for Support of the Chandra X-Ray Center (CXC) and Science Instruments; CXC is operated by SAO for and on behalf of NASA under contract NAS8-03060. It was partially completed by LLNL under Contract DE-AC52-07NA27344, and is supported by NASA grants to LLNL and NASA/GSFC. We thank the Bundesministerium fur Wirtschaft und Technologie for funding through Deutsches Zentrum fur Luft- und Raumfahrt grant 50 OR 1113. M.A.N. acknowledges support from NASA Grant NNX12AE37G. R.H.D.T. acknowledges support from NASA award NNX12AC72G. This research has made use of NASA's Astrophysics Data System Bibliographic Services. We thank John E. Davis for the development of the slxfig module used to prepare all figures in this work and Fritz-Walter Schwarm, Thomas Dauser, and Ingo Kreykenbohm for their work on the Remeis computing cluster. This research has made use of ISIS functions (isisscripts) provided by ECAP/Remeis observatory and MIT3. Without the hard work by Evan Smith and Divya Pereira to schedule the observations of Cyg X-1 so uniformly for more than a decade, this whole series of papers would not have been possible. NR 87 TC 5 Z9 5 U1 0 U2 2 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 0004-6361 EI 1432-0746 J9 ASTRON ASTROPHYS JI Astron. Astrophys. PD APR PY 2015 VL 576 AR A117 DI 10.1051/0004-6361/201425418 PG 11 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA CL9DC UT WOS:000357274600052 ER PT J AU Bilki, B Repond, J Xia, L Eigen, G Thomson, MA Ward, DR Benchekroun, D Hoummada, A Khoulaki, Y Chang, S Khan, A Kim, DH Kong, DJ Oh, YD Blazey, GC Dyshkant, A Francis, K Lima, JGR Salcido, R Zutshi, V Salvatore, F Kawagoe, K Miyazaki, Y Sudo, Y Suehara, T Tomita, T Ueno, H Yoshioka, T Apostolakis, J Dannheim, D Folger, G Ivantchenko, V Klempt, W Lucaci-Timoce, AI Ribon, A Schlatter, D Sicking, E Uzhinskiy, V Giraud, J Grondin, D Hostachy, JY Morin, L Brianne, E Cornett, U David, D Ebrahimi, A Falley, G Gadow, K Gottlicher, P Gunter, C Hartbrich, O Hermberg, B Karstensen, S Krivan, F Kruger, K Lu, S Lutz, B Morozov, S Morgunov, V Neubuser, C Reinecke, M Sefkow, F Smirnov, P Tran, HL Buhmann, P Garutti, E Laurien, S Matysek, M Ramilli, M Briggl, K Eckert, P Harion, T Munwes, Y Schultz-Coulon, HC Shen, W Stamen, R Norbeck, E Northacker, D Onel, Y van Doren, B Wilson, GW Wing, M Combaret, C Caponetto, L Ete, R Grenier, G Han, R Ianigro, JC Kieffer, R Laktineh, I Lumb, N Mathez, H Mirabito, L Petrukhin, A Steen, A Antequera, JB Alamillo, EC Fouz, MC Marin, J Puerta-Pelayo, J Verdugo, A Corriveau, F Bobchenko, B Chistov, R Chadeeva, M Danilov, M Drutskoy, A Epifantsev, A Markin, O Mironov, D Mizuk, R Novikov, E Rusinov, V Tarkovsky, E Besson, D Buzhan, P Ilyin, A Popova, E Gabriel, M Kiesling, C van der Kolk, N Simon, F Soldner, C Szalay, M Tesar, M Weuste, L Amjad, MS Bonis, J Callier, S di Lorenzo, SC Cornebise, P Dulucq, F Fleury, J Frisson, T Martin-Chassard, G Poschl, R Raux, L Richard, F Rouene, J Seguin-Moreau, N de la Taille, C Anduze, M Boudry, V Brient, JC Clerc, C Cornat, R Frotin, M Gastaldi, F Matthieu, A de Freitas, PM Musat, G Ruan, M Videau, H Zacek, J Cvach, J Gallus, P Havranek, M Janata, M Kvasnicka, J Lednicky, D Marcisovsky, M Polak, I Popule, J Tomasek, L Tomasek, M Sicho, P Smolik, J Vrba, V Zalesak, J Jeans, D Weber, S AF Bilki, B. Repond, J. Xia, L. Eigen, G. Thomson, M. A. Ward, D. R. Benchekroun, D. Hoummada, A. Khoulaki, Y. Chang, S. Khan, A. Kim, D. H. Kong, D. J. Oh, Y. D. Blazey, G. C. Dyshkant, A. Francis, K. Lima, J. G. R. Salcido, R. Zutshi, V. Salvatore, F. Kawagoe, K. Miyazaki, Y. Sudo, Y. Suehara, T. Tomita, T. Ueno, H. Yoshioka, T. Apostolakis, J. Dannheim, D. Folger, G. Ivantchenko, V. Klempt, W. Lucaci-Timoce, A. -I. Ribon, A. Schlatter, D. Sicking, E. Uzhinskiy, V. Giraud, J. Grondin, D. Hostachy, J. -Y. Morin, L. Brianne, E. Cornett, U. David, D. Ebrahimi, A. Falley, G. Gadow, K. Goettlicher, P. Guenter, C. Hartbrich, O. Hermberg, B. Karstensen, S. Krivan, F. Krueger, K. Lu, S. Lutz, B. Morozov, S. Morgunov, V. Neubueser, C. Reinecke, M. Sefkow, F. Smirnov, P. Tran, H. L. Buhmann, P. Garutti, E. Laurien, S. Matysek, M. Ramilli, M. Briggl, K. Eckert, P. Harion, T. Munwes, Y. Schultz-Coulon, H. -Ch. Shen, W. Stamen, R. Norbeck, E. Northacker, D. Onel, Y. van Doren, B. Wilson, G. W. Wing, M. Combaret, C. Caponetto, L. Ete, R. Grenier, G. Han, R. Ianigro, J. C. Kieffer, R. Laktineh, I. Lumb, N. Mathez, H. Mirabito, L. Petrukhin, A. Steen, A. Antequera, J. Berenguer Alamillo, E. Calvo Fouz, M. -C. Marin, J. Puerta-Pelayo, J. Verdugo, A. Corriveau, F. Bobchenko, B. Chistov, R. Chadeeva, M. Danilov, M. Drutskoy, A. Epifantsev, A. Markin, O. Mironov, D. Mizuk, R. Novikov, E. Rusinov, V. Tarkovsky, E. Besson, D. Buzhan, P. Ilyin, A. Popova, E. Gabriel, M. Kiesling, C. van der Kolk, N. Simon, F. Soldner, C. Szalay, M. Tesar, M. Weuste, L. Amjad, M. S. Bonis, J. Callier, S. di Lorenzo, S. Conforti Cornebise, P. Dulucq, F. Fleury, J. Frisson, T. Martin-Chassard, G. Poeschl, R. Raux, L. Richard, F. Rouene, J. Seguin-Moreau, N. de la Taille, Ch. Anduze, M. Boudry, V. Brient, J-C. Clerc, C. Cornat, R. Frotin, M. Gastaldi, F. Matthieu, A. de Freitas, P. Mora Musat, G. Ruan, M. Videau, H. Zacek, J. Cvach, J. Gallus, P. Havranek, M. Janata, M. Kvasnicka, J. Lednicky, D. Marcisovsky, M. Polak, I. Popule, J. Tomasek, L. Tomasek, M. Sicho, P. Smolik, J. Vrba, V. Zalesak, J. Jeans, D. Weber, S. CA CALICE Collaboration TI Pion and proton showers in the CALICE scintillator-steel analogue hadron calorimeter SO JOURNAL OF INSTRUMENTATION LA English DT Article DE Performance of High Energy Physics Detectors; Calorimeters; Detector modelling and simulations I (interaction of radiation with matter, interaction of photons with matter, interaction of hadrons with matter, etc); Calorimeter methods AB Showers produced by positive hadrons in the highly granular CALICE scintillator-steel analogue hadron calorimeter were studied. The experimental data were collected at CERN and FNAL for single particles with initial momenta from 10 to 80 GeV/c. The calorimeter response and resolution and spatial characteristics of shower development for proton-and pion-induced showers for test beam data and simulations using GEANT4 version 9.6 are compared. C1 [Bilki, B.; Repond, J.; Xia, L.] Argonne Natl Lab, Argonne, IL 60439 USA. [Eigen, G.] Univ Bergen, Inst Phys, N-5007 Bergen, Norway. [Thomson, M. A.; Ward, D. R.] Univ Cambridge, Cavendish Lab, Cambridge CB3 0HE, England. [Benchekroun, D.; Hoummada, A.; Khoulaki, Y.] Univ Hassan II Ain Chock, Fac Sci, Casablanca, Morocco. [Chang, S.; Kim, D. H.; Kong, D. J.; Oh, Y. D.] Kyungpook Natl Univ, Dept Phys, Taegu 702701, South Korea. [Blazey, G. C.; Dyshkant, A.; Francis, K.; Lima, J. G. R.; Salcido, R.; Zutshi, V.] No Illinois Univ, Dept Phys, NICADD, De Kalb, IL 60115 USA. [Salvatore, F.] Royal Holloway Univ London, Dept Phys, Egham TW20 0EX, Surrey, England. [Kawagoe, K.; Miyazaki, Y.; Sudo, Y.; Suehara, T.; Tomita, T.; Ueno, H.; Yoshioka, T.] Kyushu Univ, Dept Phys, Fukuoka 8128581, Japan. [Apostolakis, J.; Dannheim, D.; Folger, G.; Ivantchenko, V.; Klempt, W.; Lucaci-Timoce, A. -I.; Ribon, A.; Schlatter, D.; Sicking, E.; Uzhinskiy, V.] CERN, CH-1211 Geneva 23, Switzerland. [Giraud, J.; Grondin, D.; Hostachy, J. -Y.; Morin, L.] Univ Grenoble Alpes, CNRS, IN2P3, Lab Phys Subatom & Cosmol, Grenoble, France. [Brianne, E.; Cornett, U.; David, D.; Ebrahimi, A.; Falley, G.; Gadow, K.; Goettlicher, P.; Guenter, C.; Hartbrich, O.; Hermberg, B.; Karstensen, S.; Krivan, F.; Krueger, K.; Lu, S.; Lutz, B.; Morozov, S.; Morgunov, V.; Neubueser, C.; Reinecke, M.; Sefkow, F.; Smirnov, P.; Tran, H. L.; Wing, M.] DESY, D-22603 Hamburg, Germany. [Buhmann, P.; Garutti, E.; Laurien, S.; Matysek, M.; Ramilli, M.] Univ Hamburg, Dept Phys, Inst Expt Phys, D-22761 Hamburg, Germany. [Briggl, K.; Eckert, P.; Harion, T.; Munwes, Y.; Schultz-Coulon, H. -Ch.; Shen, W.; Stamen, R.] Heidelberg Univ, Fak Phys & Astron, D-69120 Heidelberg, Germany. [Norbeck, E.; Northacker, D.; Onel, Y.] Univ Iowa, Dept Phys & Astron, Iowa City, IA 52242 USA. [van Doren, B.; Wilson, G. W.] Univ Kansas, Dept Phys & Astron, Lawrence, KS 66045 USA. [Wing, M.] UCL, Dept Phys & Astron, London WC1E 6BT, England. [Combaret, C.; Caponetto, L.; Ete, R.; Grenier, G.; Han, R.; Ianigro, J. C.; Kieffer, R.; Laktineh, I.; Lumb, N.; Mathez, H.; Mirabito, L.; Petrukhin, A.; Steen, A.] Univ Lyon 1, CNRS, IN2P3, IPNL, F-69622 Villeurbanne, France. [Antequera, J. Berenguer; Alamillo, E. Calvo; Fouz, M. -C.; Marin, J.; Puerta-Pelayo, J.; Verdugo, A.] CIEMAT, Ctr Invest Energet Medioambientales & Tecnol, E-28040 Madrid, Spain. [Corriveau, F.] McGill Univ, Dept Phys, Montreal, PQ H3A 2T8, Canada. [Morgunov, V.; Bobchenko, B.; Chistov, R.; Chadeeva, M.; Danilov, M.; Drutskoy, A.; Epifantsev, A.; Markin, O.; Mironov, D.; Mizuk, R.; Novikov, E.; Rusinov, V.; Tarkovsky, E.] Inst Theoret & Expt Phys, RU-117218 Moscow, Russia. [Besson, D.; Buzhan, P.; Ilyin, A.; Popova, E.] Natl Res Nucl Univ MEPhI, Moscow Engn Phys Inst, Moscow 115409, Russia. [Gabriel, M.; Kiesling, C.; van der Kolk, N.; Simon, F.; Soldner, C.; Szalay, M.; Tesar, M.; Weuste, L.] Max Planck Inst Phys & Astrophys, D-80805 Munich, Germany. [Amjad, M. S.; Bonis, J.; Callier, S.; di Lorenzo, S. Conforti; Cornebise, P.; Dulucq, F.; Fleury, J.; Frisson, T.; Martin-Chassard, G.; Poeschl, R.; Raux, L.; Richard, F.; Rouene, J.; Seguin-Moreau, N.; de la Taille, Ch.] Univ Paris 11, Ctr Orsay, Lab Accelerateur Lineaire, F-91898 Orsay, France. [Anduze, M.; Boudry, V.; Brient, J-C.; Clerc, C.; Cornat, R.; Frotin, M.; Gastaldi, F.; Matthieu, A.; de Freitas, P. Mora; Musat, G.; Ruan, M.; Videau, H.] Ecole Polytech, CNRS, IN2P3, Lab Leprince Ringuet, F-91128 Palaiseau, France. [Zacek, J.] Charles Univ Prague, Inst Particle & Nucl Phys, CZ-18000 Prague 8, Czech Republic. [Cvach, J.; Gallus, P.; Havranek, M.; Janata, M.; Kvasnicka, J.; Lednicky, D.; Marcisovsky, M.; Polak, I.; Popule, J.; Tomasek, L.; Tomasek, M.; Sicho, P.; Smolik, J.; Vrba, V.; Zalesak, J.] Acad Sci Czech Republic, Inst Phys, CZ-18221 Prague 8, Czech Republic. [Jeans, D.] Univ Tokyo, Grad Sch Sci, Dept Phys, Bunkyo Ku, Tokyo 1130033, Japan. [Weber, S.] Berg Univ Wuppertal, D-42097 Wuppertal, Germany. [Bilki, B.] Univ Iowa, Iowa City, IA 52242 USA. [Wing, M.] Univ Hamburg, Hamburg, Germany. [Bobchenko, B.; Chistov, R.; Chadeeva, M.; Danilov, M.; Drutskoy, A.; Markin, O.; Mironov, D.; Mizuk, R.; Rusinov, V.; Tarkovsky, E.] Natl Res Nucl Univ MEPhI, Hamburg, Germany. [Danilov, M.; Mironov, D.] Moscow Inst Phys & Technol, Moscow, Russia. [Callier, S.; Dulucq, F.; Fleury, J.; Martin-Chassard, G.; Raux, L.; Seguin-Moreau, N.; de la Taille, Ch.] Ecole Polytech, CNRS, IN2P3, Lab OMEGA, F-91128 Palaiseau, France. RP Chadeeva, M (reprint author), Inst Theoret & Expt Phys, B Cheremushkinskaya Ul 25, RU-117218 Moscow, Russia. EM marina@itep.ru RI Chistov, Ruslan/B-4893-2014; Drutskoy, Alexey/C-8833-2016; Smirnov, Petr/N-9652-2015; U-ID, Kyushu/C-5291-2016; Danilov, Mikhail/C-5380-2014; Mizuk, Roman/B-3751-2014; Calvo Alamillo, Enrique/L-1203-2014; Verdugo de Osa, Antonio/F-7790-2016; Cvach, Jaroslav/G-6269-2014; Chadeeva, Marina/C-8789-2016; van der Kolk, Naomi/M-9423-2016 OI Chistov, Ruslan/0000-0003-1439-8390; Drutskoy, Alexey/0000-0003-4524-0422; Blazey, Gerald/0000-0002-7435-5758; Danilov, Mikhail/0000-0001-9227-5164; Calvo Alamillo, Enrique/0000-0002-1100-2963; Verdugo de Osa, Antonio/0000-0003-3619-9675; Chadeeva, Marina/0000-0003-1814-1218; van der Kolk, Naomi/0000-0002-8670-0408 FU Bundesministerium fur Bildung und Forschung, Germany; DFG cluster of excellence 'Origin and Structure of the Universe' of Germany; Helmholtz-Nachwuchsgruppen grant [VH-NG-206]; BMBF [05HS6VH1]; Alexander von Humboldt Foundation [RUS1066839 GSA]; Russian Ministry of Education and Science [4465.2014.2, 14.A12.31.0006]; Russian Foundation for Basic Research [14-02-00873A]; MICINN, Spain; CPAN, Spain; CRI(MST) of MOST/KOSEF in Korea; US Department of Energy; US National Science Foundation; Ministry of Education, Youth and Sports of the Czech Republic [AV0 Z3407391, AV0 Z10100502, LC527, LA09042]; Grant Agency of the Czech Republic [202/05/0653]; Science and Technology Facilities Council, U.K. FX We would like to thank the technicians and the engineers who contributed to the design and construction of the prototypes. We also gratefully acknowledge the DESY and CERN managements for their support and hospitality, and their accelerator staff for the reliable and efficient beam operation. The authors would like to thank the RIMST (Zelenograd) group for their help and sensors manufacturing. This work was supported by the Bundesministerium fur Bildung und Forschung, Germany; by the the DFG cluster of excellence 'Origin and Structure of the Universe' of Germany; by the Helmholtz-Nachwuchsgruppen grant VH-NG-206; by the BMBF, grant no. 05HS6VH1; by the Alexander von Humboldt Foundation (including Research Award IV, RUS1066839 GSA); by the Russian Ministry of Education and Science contracts 4465.2014.2 and 14.A12.31.0006 and the Russian Foundation for Basic Research grant 14-02-00873A; by MICINN and CPAN, Spain; by CRI(MST) of MOST/KOSEF in Korea; by the US Department of Energy and the US National Science Foundation; by the Ministry of Education, Youth and Sports of the Czech Republic under the projects AV0 Z3407391, AV0 Z10100502, LC527 and LA09042 and by the Grant Agency of the Czech Republic under the project 202/05/0653; and by the Science and Technology Facilities Council, U.K.. NR 25 TC 3 Z9 3 U1 0 U2 7 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1748-0221 J9 J INSTRUM JI J. Instrum. PD APR PY 2015 VL 10 AR P04014 DI 10.1088/1748-0221/10/04/P04014 PG 25 WC Instruments & Instrumentation SC Instruments & Instrumentation GA CM8OO UT WOS:000357961700059 ER PT J AU Greiner, L Anderssen, EC Contin, G Schambach, J Silber, J Stezelberger, T Sun, X Szelezniak, M Vu, C Wieman, HH Woodmansee, S AF Greiner, L. Anderssen, E. C. Contin, G. Schambach, J. Silber, J. Stezelberger, T. Sun, X. Szelezniak, M. Vu, C. Wieman, H. H. Woodmansee, S. TI Experience from the construction and operation of the STAR PXL detector SO JOURNAL OF INSTRUMENTATION LA English DT Article; Proceedings Paper CT International Workshop on Semiconductor Pixel Detectors for Particles and Imaging (PIXEL) CY SEP 01-05, 2014 CL Niagara Falls, CANADA DE Particle tracking detectors; Particle tracking detectors (Solid-state detectors) AB A new silicon based vertex detector called the Heavy Flavor Tracker (HFT) was installed at the Soleniodal Tracker At RHIC (STAR) experiment for the Relativistic Heavy Ion Collider (RHIC) 2014 heavy ion run to improve the vertex resolution and extend the measurement capabilities of STAR in the heavy flavor domain. The HFT consists of four concentric cylinders around the STAR interaction point composed of three different silicon detector technologies based on strips, pads and for the first time in an accelerator experiment CMOS monolithic active pixels (MAPS). The two innermost layers at a radius of 2.8 cm and 8 cm from the beam line are constructed with 400 high resolution MAPS sensors arranged in 10-sensor ladders mounted on 10 thin carbon fiber sectors giving a total silicon area of 0.16 m(2). Each sensor consists of a pixel array of nearly 1 million pixels with a pitch of 20.7 mu m with column-level discriminators, zero-suppression circuitry and output buffer memory integrated into one silicon die with a sensitive area of similar to 3.8 cm(2). The pixel (PXL) detector has a low power dissipation of 170 mW/cm(2), which allows air cooling. This results in a global material budget of 0.5% radiation length per layer for detector used in this run. A novel mechanical approach to detector insertion allows for the installation and integration of the pixel sub detector within a 12 hour period during an on-going STAR run. The detector specifications, experience from the construction and operation, lessons learned and initial measurements of the PXL performance in the 200 GeV Au-Au run will be presented. C1 [Greiner, L.; Anderssen, E. C.; Contin, G.; Silber, J.; Stezelberger, T.; Vu, C.; Wieman, H. H.; Woodmansee, S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Schambach, J.] Univ Texas Austin, Austin, TX 78712 USA. [Sun, X.] CCNU, Wuhan, Peoples R China. [Szelezniak, M.] Inst Pluridisciplinaire Hubert Curien, F-67037 Strasbourg, France. RP Greiner, L (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd,MS 70R0319, Berkeley, CA 94720 USA. EM lcgreiner@lbl.gov NR 7 TC 1 Z9 1 U1 0 U2 4 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1748-0221 J9 J INSTRUM JI J. Instrum. PD APR PY 2015 VL 10 AR C04014 DI 10.1088/1748-0221/10/04/C04014 PG 9 WC Instruments & Instrumentation SC Instruments & Instrumentation GA CM8OO UT WOS:000357961700014 ER PT J AU Okumura, Y Liu, T Olsen, J Iizawa, T Mitani, T Korikawa, T Yorita, K Annovi, A Beretta, M Gatta, M Sotiropoulou, CL Gkaitatzis, S Kordas, K Kimura, N Cremonesi, M Yin, H Xu, Z AF Okumura, Y. Liu, T. Olsen, J. Iizawa, T. Mitani, T. Korikawa, T. Yorita, K. Annovi, A. Beretta, M. Gatta, M. Sotiropoulou, C. -L. Gkaitatzis, S. Kordas, K. Kimura, N. Cremonesi, M. Yin, H. Xu, Z. CA ATLAS Collaboration TI ATCA-based ATLAS FTK input interface system SO JOURNAL OF INSTRUMENTATION LA English DT Article; Proceedings Paper CT Topical Workshop on Electronics for Particle Physics CY SEP 22-26, 2014 CL Aix en Provence, FRANCE DE Trigger concepts and systems (hardware and software); Digital electronic circuits; Data acquisition concepts AB The first stage of the ATLAS Fast TracKer (FTK) is an ATCA-based input interface system, where hits from the entire silicon tracker are clustered and organized into overlapping eta-phi trigger towers before being sent to the tracking engines. First, FTK Input Mezzanine cards receive hit data and perform clustering to reduce data volume. Then, the ATCA-based Data Formatter system will organize the trigger tower data, sharing data among boards over full mesh backplanes and optic fibers. The board and system level design concepts and implementation details, as well as the operation experiences from the FTK full-chain testing, will be presented. C1 [Cremonesi, M.] Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. [Liu, T.; Olsen, J.; Yin, H.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Iizawa, T.; Mitani, T.; Korikawa, T.; Yorita, K.] Waseda Univ, Shinjuku Ku, Tokyo 1698555, Japan. [Annovi, A.; Beretta, M.; Gatta, M.] NFN Frascati, I-00044 Rome, Italy. [Sotiropoulou, C. -L.; Gkaitatzis, S.; Kordas, K.; Kimura, N.] Aristotle Univ Thessaloniki, Thessaloniki 54124, Greece. [Xu, Z.] Peking Univ, Beijing 100871, Peoples R China. RP Okumura, Y (reprint author), Univ Chicago, Enrico Fermi Inst, 5640 S Ellis Ave, Chicago, IL 60637 USA. EM yasuyuki.okumura@cern.ch NR 9 TC 0 Z9 0 U1 1 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1748-0221 J9 J INSTRUM JI J. Instrum. PD APR PY 2015 VL 10 AR C04032 DI 10.1088/1748-0221/10/04/C04032 PG 9 WC Instruments & Instrumentation SC Instruments & Instrumentation GA CM8OO UT WOS:000357961700032 ER PT J AU Pfeiffer, D Resnati, F Birch, J Hall-Wilton, R Hoglund, C Hultman, L Iakovidis, G Oliveri, E Oksanen, E Ropelewski, L Thuiner, P AF Pfeiffer, D. Resnati, F. Birch, J. Hall-Wilton, R. Hoglund, C. Hultman, L. Iakovidis, G. Oliveri, E. Oksanen, E. Ropelewski, L. Thuiner, P. TI The mu TPC method: improving the position resolution of neutron detectors based on MPGDs SO JOURNAL OF INSTRUMENTATION LA English DT Article DE Particle tracking detectors; Time projection Chambers (TPC); Micropattern gaseous detectors (MSGC, GEM, THGEM, RETHGEM, MHSP, MICROPIC, MICROMEGAS, InGrid, etc); Neutron detectors (cold, thermal, fast neutrons) ID DESIGN; GEM AB Due to the He-3 crisis, alternatives to the standard neutron detection techniques are becoming urgent. In addition, the instruments of the European Spallation Source (ESS) require advances in the state of the art of neutron detection. The instruments need detectors with excellent neutron detection efficiency, high rate capabilities and unprecedented spatial resolution. The Macromolecular Crystallography instrument (NMX) requires a position resolution in the order of 200 mu m over a wide angular range of incoming neutrons. Solid converters in combination with Micro Pattern Gaseous Detectors (MPGDs) are proposed to meet the new requirements. Charged particles rising from the neutron capture have usually ranges larger than several millimetres in gas. This is apparently in contrast with the requirements for the position resolution. In this paper, we present an analysis technique, new in the field of neutron detection, based on the Time Projection Chamber (TPC) concept. Using a standard Single-GEM with the cathode coated with (B4C)-B-10, we extract the neutron interaction point with a resolution of better than sigma = 200 mu m. C1 [Pfeiffer, D.; Resnati, F.; Hall-Wilton, R.; Hoglund, C.; Oksanen, E.] European Spallat Source ESS AB, SE-22100 Lund, Sweden. [Pfeiffer, D.; Resnati, F.; Iakovidis, G.; Oliveri, E.; Ropelewski, L.; Thuiner, P.] CERN, European Org Nucl Res, CH-1211 Geneva, Switzerland. [Birch, J.; Hoglund, C.] Linkoping Univ, IFM, SE-58183 Linkoping, Sweden. [Hall-Wilton, R.; Hultman, L.] Mid Sweden Univ, Dept Elect Design, SE-85170 Sundsvall, Sweden. [Iakovidis, G.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Thuiner, P.] Vienna Univ Technol, Atominst, A-1020 Vienna, Austria. RP Pfeiffer, D (reprint author), European Spallat Source ESS AB, POB 176, SE-22100 Lund, Sweden. EM Dorothea.Pfeiffer@cern.ch RI Oksanen, Esko/D-4639-2009; Birch, Jens/M-4794-2016 OI Oksanen, Esko/0000-0002-1841-4813; Birch, Jens/0000-0002-8469-5983 NR 28 TC 3 Z9 3 U1 0 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1748-0221 J9 J INSTRUM JI J. Instrum. PD APR PY 2015 VL 10 AR P04004 DI 10.1088/1748-0221/10/04/P04004 PG 10 WC Instruments & Instrumentation SC Instruments & Instrumentation GA CM8OO UT WOS:000357961700049 ER PT J AU Yoo, J Cease, H Jaskierny, WF Markley, D Pahlka, RB Balakishiyeva, D Saab, T Filipenko, M AF Yoo, J. Cease, H. Jaskierny, W. F. Markley, D. Pahlka, R. B. Balakishiyeva, D. Saab, T. Filipenko, M. TI Scalability study of solid xenon SO JOURNAL OF INSTRUMENTATION LA English DT Article DE Gamma detectors (scintillators, CZT, HPG, HgI etc); Photon detectors for UV, visible and IR photons (solid-state); Dark Matter detectors (WIMPs, axions, etc.); Time projection chambers ID RARE-GAS CRYSTALS; EPITAXIAL-GROWTH; AR KR; LIQUID; ARGON; XE; SCINTILLATORS; LUMINESCENCE; PARTICLE; KRYPTON AB We report a demonstration of the scalability of optically transparent xenon in the solid phase for use as a particle detector above a kilogram scale. We employed a cryostat cooled by liquid nitrogen combined with a xenon purification and chiller system. A modified Bridgeman's technique reproduces a large scale optically transparent solid xenon. C1 [Yoo, J.; Cease, H.; Jaskierny, W. F.; Markley, D.; Pahlka, R. B.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Balakishiyeva, D.; Saab, T.] Univ Florida, Dept Phys, Gainesville, FL 32611 USA. [Filipenko, M.] Univ Erlangen Nurnberg, Erlangen Ctr Astroparticle Phys, D-91058 Erlangen, Germany. RP Yoo, J (reprint author), Fermilab Natl Accelerator Lab, Kirk & Pine St, Batavia, IL 60510 USA. EM yoo@fnal.gov RI Yoo, Jonghee/K-8394-2016 FU Department Of Energy Advanced Detector RD FX We are very grateful to M. Miyajima, J. White, and A. Bolozdnya for the initial discussions of the solid xenon particle detector and sharing their ideas. We thank R. Barger, D. Butler, R. Davis, A. Lathrop, L. Harbacek, K. Hardin, C. Kendziora, W. Miner, K. Taheri, M. Rushmann, E. Skup, M. Sarychev and J. Vorin at Fermilab for their tireless hard work to provide us the experimental setup with highest standard. We also thank V. Anjur, A. Anton and B. Loer for their participation of the system setup. This work supported by the Department Of Energy Advanced Detector R&D funding. NR 29 TC 2 Z9 2 U1 1 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1748-0221 J9 J INSTRUM JI J. Instrum. PD APR PY 2015 VL 10 AR P04009 DI 10.1088/1748-0221/10/04/P04009 PG 11 WC Instruments & Instrumentation SC Instruments & Instrumentation GA CM8OO UT WOS:000357961700054 ER PT J AU Zhao, H Yuan, W Liu, G AF Zhao, Hui Yuan, Wen Liu, Gao TI Hierarchical electrode design of high-capacity alloy nanomaterials for lithium-ion batteries SO NANO TODAY LA English DT Review DE Nanomaterials; Nanomaterial assembly; Polymer binder; Silicon; Lithium-ion batteries; Electrochemical energy storage ID CONDUCTIVE POLYMER BINDER; SI NEGATIVE ELECTRODES; SILICON ANODES; ELECTROCHEMICAL PERFORMANCE; POLYVINYLIDENE FLUORIDE; RECHARGEABLE BATTERIES; ELECTRICAL-PROPERTIES; COMPOSITE ELECTRODES; POLY(ACRYLIC ACID); STRUCTURAL-CHANGES AB Nanomaterials and engineering approaches to assemble these nanomaterials play critical roles in the success of next-generation of high-energy-density electrochemical energy storage devices. As an on-going effort to increase the cycle life and energy densities of lithium-ion batteries, high-capacity alloy anodes, such as silicon, tin, and their alloys have attracted considerable attention due to their high specific capacities (4200 mAh/g for Si, 994 mAh/g for Sn) compared to state-of-the-art graphite materials (372 mAh/g). These alloy materials are made into nano-size materials to achieve their full potential in capacity and life. The high-capacity material is assembled into a polymer laminate composite for a functional lithium-ion cell. However, these alloys experience a large volume change during lithiation and delithiation, which disturbs the electrode integrity, causing its mechanical failure, including delamination from the current collector and cracking of the electrode. Unlike the traditional approach to electrode architecture, new materials and approaches have been developed to assemble nanoparticles into hierarchical structures to achieve high capacity and performance. In this hierarchical approach, polymer electrode binders are a critical component to address the large volume change induced by the high specific capacity during lithiation and delithiation. We summarize the recent explosive development of polymer electrode binders for alloy nanomaterials assembly, along with the remaining challenges in this field. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Zhao, Hui; Yuan, Wen; Liu, Gao] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. RP Liu, G (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. EM gliu@lbl.gov FU Assistant Secretary for Energy Efficiency, Vehicle Technologies Office of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work is funded by the Assistant Secretary for Energy Efficiency, Vehicle Technologies Office of the U.S. Department of Energy, under the Exploratory Battery Materials Research (BMR) and Applied Battery Research (ABR) Programs under contract no. DE-AC02-05CH11231. NR 119 TC 18 Z9 18 U1 33 U2 210 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1748-0132 EI 1878-044X J9 NANO TODAY JI Nano Today PD APR PY 2015 VL 10 IS 2 BP 193 EP 212 DI 10.1016/j.nantod.2015.02.009 PG 20 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA CL5FR UT WOS:000356985700009 ER PT J AU Soukoulis, CM Koschny, T Tassin, P Shen, NH Dastmalchi, B AF Soukoulis, Costas M. Koschny, Thomas Tassin, Philippe Shen, Nian-Hai Dastmalchi, Babak TI What is a good conductor for metamaterials or plasmonics SO NANOPHOTONICS LA English DT Review DE optics; metamaterials; plasmonics; conductors ID NEGATIVE-INDEX METAMATERIAL; REFRACTIVE-INDEX; GRAPHENE; METALS; WAVELENGTHS; AG AB We review conducting materials like metals, conducting oxides and graphene for nanophotonic applications. We emphasize that metamaterials and plasmonic systems benefit from different conducting materials. Resonant metamaterials need conductors with small resistivity, since dissipative loss in resonant metamaterials is proportional to the real part of the resistivity of the conducting medium it contains. For plasmonic systems, one must determine the propagation length at a desired level of confinement to estimate the dissipative loss. C1 [Soukoulis, Costas M.; Koschny, Thomas; Shen, Nian-Hai; Dastmalchi, Babak] Iowa State Univ, US DOE, Ames Lab, Ames, IA 50011 USA. [Soukoulis, Costas M.; Dastmalchi, Babak] FORTH, IESL, Iraklion 71110, Crete, Greece. [Koschny, Thomas; Shen, Nian-Hai; Dastmalchi, Babak] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Tassin, Philippe] Chalmers Univ, Dept Appl Phys, SE-41296 Gothenburg, Sweden. RP Soukoulis, CM (reprint author), Iowa State Univ, US DOE, Ames Lab, Ames, IA 50011 USA. EM soukoulis@ameslab.gov RI Tassin, Philippe/B-7152-2008; Dastmalchi, Babak/C-9050-2013; Soukoulis, Costas/A-5295-2008 OI Dastmalchi, Babak/0000-0002-2701-3712; FU US Department of Energy, Office of Basic Energy Science, Division of Materials Science and Engineering; Iowa State University [DE-AC02-07CH11358]; US Office of Naval Research [N00014-14-1-0474]; European Research Council under ERC Advanced Grant (PHOTOMETA) [320081] FX Work at Ames Laboratory was partially supported by the US Department of Energy, Office of Basic Energy Science, Division of Materials Science and Engineering (Ames Laboratory is operated for the US Department of Energy by Iowa State University under Contract No. DE-AC02-07CH11358), and by the US Office of Naval Research, Award No. N00014-14-1-0474. Work at FORTH was supported by the European Research Council under the ERC Advanced Grant No. 320081 (PHOTOMETA). NR 29 TC 1 Z9 1 U1 6 U2 53 PU WALTER DE GRUYTER GMBH PI BERLIN PA GENTHINER STRASSE 13, D-10785 BERLIN, GERMANY SN 2192-8606 EI 2192-8614 J9 NANOPHOTONICS-BERLIN JI Nanophotonics PD APR PY 2015 VL 4 IS 1 BP 69 EP 74 DI 10.1515/nanoph-2014-0013 PG 6 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Optics; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Optics; Physics GA CL3XK UT WOS:000356885100005 ER PT J AU Davidson, RB Ziegler, JI Vargas, G Avanesyan, SM Gong, Y Hess, W Haglund, RF AF Davidson, Roderick B., II Ziegler, Jed I. Vargas, Guillermo Avanesyan, Sergey M. Gong, Yu Hess, Wayne Haglund, Richard F., Jr. TI Efficient forward second-harmonic generation from planar archimedean nanospirals SO NANOPHOTONICS LA English DT Article DE nonlinear plasmonics; asymmetric nanoparticles; polarization conversion; metasurfaces; near-field enhancement; Archimedean nanospirals ID DEPOLARIZED LIGHT-SCATTERING; NANOPARTICLES; ARRAYS; NANOSTRUCTURES AB The enhanced electric field at plasmonic resonances in nanoscale antennas can lead to efficient harmonic generation, especially when the plasmonic geometry is asymmetric on either inter-particle or intra-particle levels. The planar Archimedean nanospiral offers a unique geometrical asymmetry for second-harmonic generation (SHG) because the SHG results neither from arranging centrosymmetric nanoparticles in asymmetric groupings, nor from non-centrosymmetric nanoparticles that retain a local axis of symmetry. Here, we report forward SHG from planar arrays of Archimedean nanospirals using 15 fs pulses from a Ti:sapphire oscillator tuned to 800 nm wavelength. The measured harmonic-generation efficiencies are 2.6.10(-9), 8.10(-9) and 1.3.10(-8) for left-handed circular, linear, and right-handed circular polarizations, respectively. The uncoated nanospirals are stable under average power loading of as much as 300 mu W per nanoparticle. The nanospirals also exhibit selective conversion between polarization states. These experiments show that the intrinsic asymmetry of the nanospirals results in a highly efficient, two-dimensional harmonic generator that can be incorporated into metasurface optics. C1 [Davidson, Roderick B., II; Ziegler, Jed I.; Vargas, Guillermo; Avanesyan, Sergey M.] Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. [Gong, Yu; Hess, Wayne] Pacific NW Natl Lab, Div Phys Sci, Richland, WA 99352 USA. RP Davidson, RB (reprint author), Vanderbilt Univ, Dept Phys & Astron, 221 Kirkland Hall, Nashville, TN 37235 USA. EM roderick.b.davidson@vanderbilt.edu FU Office of Science, United States Department of Energy [DE-FG02-01ER45916]; National Science Foundation under a Phase II STTR grant [IIP-1058571]; National Science Foundation under the American Recovery and Reinvestment Act [NSF ARI-R2 DMR-0963361]; Department of Energy's Office of Biological and Environmental Research FX RBD, JIZ, GV and RFH received support from the Office of Science, United States Department of Energy (DE-FG02-01ER45916) for the lithographic fabrication of the nanospiral samples, the construction of the second-harmonic generation experiment and the measurements. SMA was supported by the National Science Foundation under a Phase II STTR grant to Kent Optronics (IIP-1058571) for the setup and maintenance of the laser source. The nanospiral samples were fabricated and characterized in facilities of the Vanderbilt Institute of Nanoscale Science and Engineering, which were renovated with funds provided by the National Science Foundation under the American Recovery and Reinvestment Act (NSF ARI-R2 DMR-0963361). A portion of this work was performed using EMSL, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory. NR 28 TC 4 Z9 4 U1 7 U2 28 PU WALTER DE GRUYTER GMBH PI BERLIN PA GENTHINER STRASSE 13, D-10785 BERLIN, GERMANY SN 2192-8606 EI 2192-8614 J9 NANOPHOTONICS-BERLIN JI Nanophotonics PD APR PY 2015 VL 4 IS 1 BP 108 EP 113 DI 10.1515/nanoph-2015-0002 PG 6 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Optics; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Optics; Physics GA CL3XK UT WOS:000356885100008 ER PT J AU Walker, AP Zaehle, S Medlyn, BE De Kauwe, MG Asao, S Hickler, T Parton, W Ricciuto, DM Wang, YP Warlind, D Norby, RJ AF Walker, Anthony P. Zaehle, Soenke Medlyn, Belinda E. De Kauwe, Martin G. Asao, Shinichi Hickler, Thomas Parton, William Ricciuto, Daniel M. Wang, Ying-Ping Warlind, David Norby, Richard J. TI Predicting long-term carbon sequestration in response to CO2 enrichment: How and why do current ecosystem models differ? SO GLOBAL BIOGEOCHEMICAL CYCLES LA English DT Article ID DYNAMIC VEGETATION MODEL; NET PRIMARY PRODUCTIVITY; ELEVATED CO2; ATMOSPHERIC CO2; FOREST PRODUCTIVITY; NITROGEN UPTAKE; TERRESTRIAL BIOSPHERE; USE EFFICIENCY; AVAILABILITY; STORAGE AB Large uncertainty exists in model projections of the land carbon (C) sink response to increasing atmospheric CO2. Free-Air CO2 Enrichment (FACE) experiments lasting a decade or more have investigated ecosystem responses to a step change in atmospheric CO2 concentration. To interpret FACE results in the context of gradual increases in atmospheric CO2 over decades to centuries, we used a suite of seven models to simulate the Duke and Oak Ridge FACE experiments extended for 300 years of CO2 enrichment. We also determine key modeling assumptions that drive divergent projections of terrestrial C uptake and evaluate whether these assumptions can be constrained by experimental evidence. All models simulated increased terrestrial C pools resulting from CO2 enrichment, though there was substantial variability in quasi-equilibrium C sequestration and rates of change. In two of two models that assume that plant nitrogen (N) uptake is solely a function of soil N supply, the net primary production response to elevated CO2 became progressively N limited. In four of five models that assume that N uptake is a function of both soil N supply and plant N demand, elevated CO2 led to reduced ecosystem N losses and thus progressively relaxed nitrogen limitation. Many allocation assumptions resulted in increased wood allocation relative to leaves and roots which reduced the vegetation turnover rate and increased C sequestration. In addition, self-thinning assumptions had a substantial impact on C sequestration in two models. Accurate representation of N process dynamics (in particular N uptake), allocation, and forest self-thinning is key to minimizing uncertainty in projections of future C sequestration in response to elevated atmospheric CO2. C1 [Walker, Anthony P.; Ricciuto, Daniel M.; Norby, Richard J.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Walker, Anthony P.; Ricciuto, Daniel M.; Norby, Richard J.] Oak Ridge Natl Lab, Climate Change Sci Inst, Oak Ridge, TN 37831 USA. [Zaehle, Soenke] Max Planck Inst Biogeochem, Biogeochem Integrat Dept, D-07745 Jena, Germany. [Medlyn, Belinda E.] Univ Western Sydney, Hawkesbury Inst Environm, Penrith, NSW 1797, Australia. [De Kauwe, Martin G.] Macquarie Univ, Dept Biol Sci, N Ryde, NSW, Australia. [Asao, Shinichi; Parton, William] Colorado State Univ, Nat Resource Ecol Lab, Ft Collins, CO 80523 USA. [Hickler, Thomas] Goethe Univ Frankfurt, Senckenberg Biodivers & Climate Res Ctr BiK F, D-60054 Frankfurt, Germany. [Hickler, Thomas] Goethe Univ Frankfurt, Dept Phys Geog, D-60054 Frankfurt, Germany. [Wang, Ying-Ping; Warlind, David] CSIRO Ocean & Atmosphere Flagship, Melbourne, Vic, Australia. [Warlind, David] CSIRO Agr Flagship, Black Mt, ACT, Australia. [Warlind, David] Lund Univ, Dept Phys Geog & Ecosyst Sci, Lund, Sweden. RP Walker, AP (reprint author), Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA. EM walkerap@ornl.gov RI Norby, Richard/C-1773-2012; Walker, Anthony/G-2931-2016; Ricciuto, Daniel/I-3659-2016; Asao, Shinichi/R-9514-2016; Hickler, Thomas/S-6287-2016; wang, yp/A-9765-2011; Zaehle, Sonke/C-9528-2017 OI Norby, Richard/0000-0002-0238-9828; Walker, Anthony/0000-0003-0557-5594; Ricciuto, Daniel/0000-0002-3668-3021; Asao, Shinichi/0000-0002-0334-5464; Hickler, Thomas/0000-0002-4668-7552; Zaehle, Sonke/0000-0001-5602-7956 FU UK National Centre for Earth Observation (NCEO); European Community [238366]; ARC [DP1094791]; U.S. Department of Energy [DE-AC0500OR22725] FX We would like to thank Robert A. Bridges for his useful discussions on the manuscript. The Oak Ridge and Duke FACE sites and the FACE model data synthesis (FACE-MDS) activity were supported by the U.S. Department of Energy (DOE) Office of Science's Biological and Environmental Research (BER). Running the simulations was supported by funding available to the individual modeling groups. Additional support for A.P.W. was provided by a UK National Centre for Earth Observation (NCEO) sponsored PhD. The research leading to these results has received funding from the European Community's Seventh Framework Programme (FP7 2007-2013) under grant agreement 238366 (GREENCYCLES II). M.D.K. was also supported by ARC discovery grant DP1094791. Much of the data used in this model-data synthesis project can be found on the FACE Data Management System on the ORNL Carbon Dioxide Information Analysis Center (CDIAC) website (http://cdiac.ornl.gov/face/). Please contact the corresponding author for more information (walkerap@ornl.gov). Notice: This manuscript has been authored by UT-Battelle, LLC, under contract DE-AC0500OR22725 with the U.S. Department of Energy. The United States government retains, and the publisher, by accepting the article for publication, acknowledges that the United States government retains a nonexclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this manuscript, or allow others to do so, for the United States government purposes. The Department of Energy will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan (http://energy.gov/downloads/doe-public-access-plan). NR 81 TC 19 Z9 19 U1 19 U2 78 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0886-6236 EI 1944-9224 J9 GLOBAL BIOGEOCHEM CY JI Glob. Biogeochem. Cycle PD APR PY 2015 VL 29 IS 4 BP 476 EP 495 DI 10.1002/2014GB004995 PG 20 WC Environmental Sciences; Geosciences, Multidisciplinary; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Geology; Meteorology & Atmospheric Sciences GA CK7AY UT WOS:000356383100006 ER PT J AU Silbernagel, J Host, G Hagley, C Hart, D Axler, R Fortner, R Axler, M Smith, V Drewes, A Bartsch, W Danz, N Mathews, J Wagler, M AF Silbernagel, J. Host, G. Hagley, C. Hart, D. Axler, R. Fortner, R. Axler, M. Smith, V. Drewes, A. Bartsch, W. Danz, N. Mathews, J. Wagler, M. TI Linking place-based science to people through spatial narratives of coastal stewardship SO JOURNAL OF COASTAL CONSERVATION LA English DT Article DE Area of concern; St. Louis River estuary; Spatial narratives; Stressor gradients; Geoquests; Place-based learning ID ATTACHMENT; QUALITY; VALUES; INDEX; BASIN; GIS AB Stressor gradients and spatial narratives of the St. Louis River Estuary, a joint Minnesota and Wisconsin Sea Grant study, connected aquatic science research with spatially-explicit stories of local resource issues and place-based geo-quests to enhance spatial awareness and stewardship of the estuary. The goal of this paper is to report and reflect on an integrated study that combined environmental humanities and technology with aquatic science in a spatial context. Our study was organized into three objectives around research, outreach, and evaluation. First, we summarized anthropogenic stressors within high resolution watersheds and linked the watershed stress estimates to aquatic habitats within the estuary. Second, we designed tools to deliver place-based environmental science and technology to targeted users to increase awareness, learning, and the potential for long-term stewardship. And third, we evaluated the responses of targeted end users to their interaction with the project's integrated science and innovative delivery methods. Finally, central to all three objectives, we created a dynamic website to facilitate regional to national coastal outreach and education goals. We found significant correlations between the stressor index and the water quality and biotic data, along with variability attributed to landscape elements. Connecting this science with the place-based experiences we collected is expected to expand the scope and reach of state, bi-national and non-governmental outreach programs. The project also has direct applications to classroom science education. Developing this integrated project contributed to our shared knowledge of environmental and cultural aspects of the estuary for place-based education, and offers several lessons for future work of this nature. C1 [Silbernagel, J.; Axler, M.] Univ Wisconsin, Nelson Inst Environm Studies, Madison, WI 53706 USA. [Host, G.; Axler, R.] Univ Minnesota, Nat Resources Res Inst, Duluth, MN 55811 USA. [Hagley, C.] Univ Minnesota, Minnesota Sea Grant Inst, Duluth, MN 55812 USA. [Hart, D.] Univ Wisconsin, Wisconsin Sea Grant Inst, Madison, WI USA. [Fortner, R.] Ohio State Univ, Sch Environm & Nat Resources, Columbus, OH 43210 USA. [Smith, V.] Southern Oregon Univ, Environm Studies & Sociol, Ashland, OR USA. [Drewes, A.] Leech Lake Tribal Coll, Dept Nat Sci & Technol, Cass Lake, MN USA. [Bartsch, W.] US EPA MED, Oak Ridge Inst Sci & Educ, Duluth, MN USA. [Danz, N.] Univ Wisconsin Superior, Dept Nat Sci, Superior, WI USA. [Mathews, J.; Wagler, M.] Univ Wisconsin, Games Learning & Soc, Madison, WI USA. RP Silbernagel, J (reprint author), Univ Wisconsin, Nelson Inst Environm Studies, Madison, WI 53706 USA. EM jmsilber@wisc.edu OI Hart, David/0000-0002-8762-0389 FU joint Minnesota and Wisconsin Sea Grant Institute (NOAA) project; University of Wisconsin Sea Grant Institute under grants from the National Sea Grant College Program; National Oceanic and Atmospheric Administration; U.S. Department of Commerce; State of Wisconsin; Minnesota Sea Grant [R/RegHCE-8-10]; [NA100AR4170070]; [R/RegHCE-08-10] FX This work was supported primarily by a joint Minnesota and Wisconsin Sea Grant Institute (NOAA) project. This work was funded by the University of Wisconsin Sea Grant Institute under grants from the National Sea Grant College Program, National Oceanic and Atmospheric Administration, U.S. Department of Commerce, and from the State of Wisconsin. Federal grant number NA100AR4170070, project number R/RegHCE-08-10. The Minnesota Sea Grant portion of the project was funded under grant number R/RegHCE-8-10. NR 59 TC 0 Z9 0 U1 0 U2 7 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1400-0350 EI 1874-7841 J9 J COAST CONSERV JI J. Coast. Conserv. PD APR PY 2015 VL 19 IS 2 BP 181 EP 198 DI 10.1007/s11852-015-0380-1 PG 18 WC Biodiversity Conservation; Environmental Sciences; Marine & Freshwater Biology; Water Resources SC Biodiversity & Conservation; Environmental Sciences & Ecology; Marine & Freshwater Biology; Water Resources GA CK9CJ UT WOS:000356537700006 ER PT J AU Valkov, B Rycroft, CH Kamrin, K AF Valkov, Boris Rycroft, Chris H. Kamrin, Ken TI Eulerian Method for Multiphase Interactions of Soft Solid Bodies in Fluids SO JOURNAL OF APPLIED MECHANICS-TRANSACTIONS OF THE ASME LA English DT Article ID INTERFACES; EQUATIONS; FLOWS AB We introduce an Eulerian approach for problems involving one or more soft solids immersed in a fluid, which permits mechanical interactions between all phases. The reference map variable is exploited to simulate finite-deformation constitutive relations in the solid(s) on the same fixed grid as the fluid phase, which greatly simplifies the coupling between phases. Our coupling procedure, a key contribution in the current work, is shown to be computationally faster and more stable than an earlier approach and admits the ability to simulate both fluid-solid and solid-solid interaction between submerged bodies. The interface treatment is demonstrated with multiple examples involving a weakly compressible Navier-Stokes fluid interacting with a neo-Hookean solid, and we verify the method's convergence. The solid contact method, which exploits distance-measures already existing on the grid, is demonstrated with two examples. A new, general routine for cross-interface extrapolation is introduced and used as part of the new interfacial treatment. C1 [Valkov, Boris; Kamrin, Ken] MIT, Dept Mech Engn, Cambridge, MA 02139 USA. [Rycroft, Chris H.] Harvard Univ, Sch Engn & Appl Sci, Cambridge, MA 02138 USA. [Rycroft, Chris H.] Lawrence Berkeley Lab, Dept Math, Berkeley, CA 94720 USA. RP Kamrin, K (reprint author), MIT, Dept Mech Engn, Cambridge, MA 02139 USA. EM bvalkov@alum.mit.edu; chr@seas.harvard.edu; kkamrin@mit.edu OI Rycroft, Chris/0000-0003-4677-6990 FU MIT Department of Mechanical Engineering; Consortium for Advanced Simulation of Lightwater Reactors (CASL), an Energy Innovation Hub for Modeling and Simulation of Nuclear Reactors under U.S. Department of Energy [DE-AC05-00OR22725]; U.S. Department of Energy [DE-AC02-05CH11231] FX B. V. and K. K. acknowledge support from the MIT Department of Mechanical Engineering. K. K. acknowledges support from the Consortium for Advanced Simulation of Lightwater Reactors (CASL), an Energy Innovation Hub for Modeling and Simulation of Nuclear Reactors under U.S. Department of Energy Contract No. DE-AC05-00OR22725. C. H. R. was supported by the Director, Office of Science, Computational and Technology Research, U.S. Department of Energy under Contract No. DE-AC02-05CH11231. We thank the anonymous reviewers for their detailed comments and feedback. NR 33 TC 3 Z9 3 U1 4 U2 10 PU ASME PI NEW YORK PA TWO PARK AVE, NEW YORK, NY 10016-5990 USA SN 0021-8936 EI 1528-9036 J9 J APPL MECH-T ASME JI J. Appl. Mech.-Trans. ASME PD APR PY 2015 VL 82 IS 4 AR 041011 DI 10.1115/1.4029765 PG 14 WC Mechanics SC Mechanics GA CK1BU UT WOS:000355941200011 ER PT J AU Wang, XK Font-Ribera, A Seljak, U AF Wang, Xinkang Font-Ribera, Andreu Seljak, Uros TI Optimizing BAO measurements with non-linear transformations of the Lyman-alpha forest SO JOURNAL OF COSMOLOGY AND ASTROPARTICLE PHYSICS LA English DT Article DE Lyman alpha forest; baryon acoustic oscillations; dark energy experiments; cosmological simulations ID BARYON ACOUSTIC-OSCILLATIONS; POWER-SPECTRUM; MASS FLUCTUATIONS; DARK ENERGY; INFORMATION; GALAXIES; QUASARS AB We explore the effect of applying a non-linear transformation to the Lyman-alpha forest transmitted flux F = e(-tau) and the ability of analytic models to predict the resulting clustering amplitude. Both the large-scale bias of the transformed field (signal) and the amplitude of small scale fluctuations (noise) can be arbitrarily modified, but we were unable to find a transformation that increases significantly the signal-to-noise ratio on large scales using Taylor expansion up to the third order. In particular, however, we achieve a 33% improvement in signal to noise for Gaussianized field in transverse direction. On the other hand, we explore an analytic model for the large-scale biasing of the Lya forest, and present an extension of this model to describe the biasing of the transformed fields. Using hydrodynamic simulations we show that the model works best to describe the biasing with respect to velocity gradients, but is less successful in predicting the biasing with respect to large-scale density fluctuations, especially for very nonlinear transformations. C1 [Wang, Xinkang; Seljak, Uros] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Wang, Xinkang; Font-Ribera, Andreu; Seljak, Uros] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Wang, XK (reprint author), Univ Calif Berkeley, Dept Phys, South Hall Rd, Berkeley, CA 94720 USA. EM xinkang.wang@berkeley.edu; afont@lbl.gov; useljak@berkeley.edu NR 34 TC 2 Z9 2 U1 0 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1475-7516 J9 J COSMOL ASTROPART P JI J. Cosmol. Astropart. Phys. PD APR PY 2015 IS 4 AR 009 DI 10.1088/1475-7516/2015/04/009 PG 20 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA CJ8ID UT WOS:000355742500010 ER PT J AU Tamura, D Okomo-Adhiambo, M Mishin, VP Guo, Z Xu, XY Villanueva, J Fry, AM Stevens, J Gubareva, LV AF Tamura, Daisuke Okomo-Adhiambo, Margaret Mishin, Vasiliy P. Guo, Zhu Xu, Xiyan Villanueva, Julie Fry, Alicia M. Stevens, James Gubareva, Larisa V. TI Application of a Seven-Target Pyrosequencing Assay To Improve the Detection of Neuraminidase Inhibitor-Resistant Influenza A(H3N2) Viruses SO ANTIMICROBIAL AGENTS AND CHEMOTHERAPY LA English DT Article ID DRUG SUSCEPTIBILITY ASSESSMENT; A/H3N2 VIRUS; IMMUNOCOMPROMISED CHILD; OSELTAMIVIR-RESISTANT; A VIRUSES; MUTATION; EMERGENCE; VARIANTS; PATIENT AB National U.S. influenza antiviral surveillance incorporates data generated by neuraminidase (NA) inhibition (NI) testing of isolates supplemented with NA sequence analysis and pyrosequencing analysis of clinical specimens. A lack of established correlates for clinically relevant resistance to NA inhibitors (NAIs) hinders interpretation of NI assay data. Nonetheless, A(H3N2) viruses are commonly monitored for moderately or highly reduced inhibition in the NI assay and/or for the presence of NA markers E119V, R292K, and N294S. In 2012 to 2013, three drug-resistant A(H3N2) viruses were detected by NI assay among isolates (n = 1,424); all showed highly reduced inhibition by oseltamivir and had E119V. In addition, one R292K variant was detected among clinical samples (n = 1,024) by a 3-target pyrosequencing assay. Overall, the frequency of NAI resistance was low (0.16% [ 4 of 2,448]). To screen for additional NA markers previously identified in viruses from NAI-treated patients, the pyrosequencing assay was modified to include Q136K, I222V, and deletions encompassing residues 245 to 248 (del245-248) and residues 247 to 250 (del247-250). The 7-target pyrosequencing assay detected NA variants carrying E119V, Q136, and del245-248 in an isolate from an oseltamivir-treated patient. Next, this assay was applied to clinical specimens collected from hospitalized patients and submitted for NI testing but failed cell culture propagation. Of the 27 clinical specimens tested, 4 (15%) contained NA changes: R292K (n = 2), E119V (n = 1), and del247-250 (n = 1). Recombinant NAs with del247-250 or del245-248 conferred highly reduced inhibition by oseltamivir, reduced inhibition by zanamivir, and normal inhibition by peramivir and laninamivir. Our results demonstrated the benefits of the 7-target pyrosequencing assay in conducting A(H3N2) antiviral surveillance and testing for clinical care. C1 [Tamura, Daisuke; Okomo-Adhiambo, Margaret; Mishin, Vasiliy P.; Guo, Zhu; Xu, Xiyan; Villanueva, Julie; Fry, Alicia M.; Stevens, James; Gubareva, Larisa V.] Ctr Dis Control & Prevent, Natl Ctr Immunizat & Resp Dis, Influenza Div, Atlanta, GA 30333 USA. [Tamura, Daisuke] Oak Ridge Inst Sci & Educ, Oak Ridge, TN USA. RP Gubareva, LV (reprint author), Ctr Dis Control & Prevent, Natl Ctr Immunizat & Resp Dis, Influenza Div, Atlanta, GA 30333 USA. EM lqg3@cdc.gov FU ge Institute for Science and Education (ORISE) Ridge, TN; Centers for Disease Control and Prevention FX D.T. received financial support for this work from the ge Institute for Science and Education (ORISE) Ridge, TN.; This work was supported by the Centers for Disease Control and Prevention. NR 29 TC 3 Z9 3 U1 0 U2 3 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0066-4804 EI 1098-6596 J9 ANTIMICROB AGENTS CH JI Antimicrob. Agents Chemother. PD APR PY 2015 VL 59 IS 4 BP 2374 EP 2379 DI 10.1128/AAC.04939-14 PG 6 WC Microbiology; Pharmacology & Pharmacy SC Microbiology; Pharmacology & Pharmacy GA CI8BY UT WOS:000354993700065 PM 25645846 ER PT J AU Beisman, JJ Maxwell, RM Navarre-Sitchler, AK Steefel, CI Molins, S AF Beisman, James J. Maxwell, Reed M. Navarre-Sitchler, Alexis K. Steefel, Carl I. Molins, Sergi TI ParCrunchFlow: an efficient, parallel reactive transport simulation tool for physically and chemically heterogeneous saturated subsurface environments SO COMPUTATIONAL GEOSCIENCES LA English DT Article DE Parallel reactive transport; Subsurface nutrient cycling; Biogeochemical reactions ID CONTAMINATED GROUNDWATER; DISSIMILATORY REDUCTION; HYDROTHERMAL SYSTEMS; MASS-TRANSPORT; REACTION-RATES; COUPLED MODEL; LARGE-SCALE; FLOW; MULTICOMPONENT; MINERALS AB Understanding the interactions between physical, geochemical, and biological processes in the shallow subsurface is integral to the development of effective contamination remediation techniques, or the accurate quantification of nutrient fluxes and biogeochemical cycling. Hydrology is a primary control on the behavior of shallow subsurface environments and must be realistically represented if we hope to accurately model these systems. ParCrunchFlow is a new parallel reactive transport model that was created by coupling a multicomponent geochemical code (CrunchFlow) with a parallel hydrologic model (ParFlow). These models are coupled in an explicit operator-splitting manner. ParCrunchFlow can simulate three-dimensional multicomponent reactive transport in highly resolved, field-scale systems by taking advantage of ParFlow's efficient parallelism and robust hydrologic abilities, and CrunchFlow's extensive geochemical abilities. Here, the development of ParCrunchFlow is described and two simple verification simulations are presented. The parallel performance is evaluated and shows that ParCrunchFlow has the ability to simulate very large problems. A series of simulations involving the biologically mediated reduction of nitrate in a floodplain aquifer were conducted. These floodplain simulations show that this code enables us to represent more realistically the variability in chemical concentrations observed in many field-scale systems. The numerical formulation implemented in ParCrunchFlow minimizes numerical dispersion and allows the use of higher-order explicit advection schemes. The effects that numerical dispersion can have on finely resolved, field-scale reactive transport simulations have been evaluated. The smooth gradients produced by a first-order advection scheme create an artificial mixing effect, which decreases the spatial variance in solute concentrations and leads to an increase in overall reaction rates. The work presented here is the first step in a larger effort to couple these models in a transient, variably saturated surface-subsurface framework, with additional geochemical abilities. C1 [Beisman, James J.; Maxwell, Reed M.; Navarre-Sitchler, Alexis K.] Colorado Sch Mines, Dept Geol & Geol Engn, Hydrol Sci & Engn Program, Integrated GroundWater Modeling Ctr, Golden, CO 80401 USA. [Steefel, Carl I.; Molins, Sergi] Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Beisman, JJ (reprint author), Colorado Sch Mines, Dept Geol & Geol Engn, Hydrol Sci & Engn Program, Integrated GroundWater Modeling Ctr, Golden, CO 80401 USA. EM jbeisman@mines.edu; rmaxwell@mines.edu; asitchle@mines.edu; CISteefel@lbl.gov; smolins@lbl.gov RI Steefel, Carl/B-7758-2010; Molins, Sergi/A-9097-2012; Maxwell, Reed/D-7980-2013; Navarre-Sitchler, Alexis/J-3389-2014 OI Molins, Sergi/0000-0001-7675-3218; Maxwell, Reed/0000-0002-1364-4441; FU Subsurface Science Scientific Focus Area at Lawrence Berkeley National Laboratory - U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research [DE-AC02-05CH11231] FX This material is based upon work supported as part of the Subsurface Science Scientific Focus Area at Lawrence Berkeley National Laboratory funded by the U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research under Award Number DE-AC02-05CH11231. NR 63 TC 2 Z9 2 U1 1 U2 15 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1420-0597 EI 1573-1499 J9 COMPUTAT GEOSCI JI Comput. Geosci. PD APR PY 2015 VL 19 IS 2 BP 403 EP 422 DI 10.1007/s10596-015-9475-x PG 20 WC Computer Science, Interdisciplinary Applications; Geosciences, Multidisciplinary SC Computer Science; Geology GA CJ2SP UT WOS:000355335100009 ER PT J AU Siena, M Hyman, JD Riva, M Guadagnini, A Winter, CL Smolarkiewicz, PK Gouze, P Sadhukhan, S Inzoli, F Guedon, G Colombo, E AF Siena, M. Hyman, J. D. Riva, M. Guadagnini, A. Winter, C. L. Smolarkiewicz, P. K. Gouze, P. Sadhukhan, S. Inzoli, F. Guedon, G. Colombo, E. TI Direct numerical simulation of fully saturated flow in natural porous media at the pore scale: a comparison of three computational systems SO COMPUTATIONAL GEOSCIENCES LA English DT Article DE Pore-scale flow simulation; Porous media; Eulerian grid-based methods; Computational model comparison; Immersed boundary method ID SMOOTHED PARTICLE HYDRODYNAMICS; TRANSPORT; BOUNDARY; PENALIZATION; PERMEABILITY; GEOMETRIES AB Direct numerical simulations of flow through two millimeter-scale rock samples of limestone and sandstone are performed using three diverse fluid dynamic simulators. The resulting steady-state velocity fields are compared in terms of the associated empirical probability density functions (PDFs) and key statistics of the velocity fields. The pore space geometry of each sample is imaged at 5.06-mu m voxel size resolution using X-ray microtomography. The samples offer contrasting characteristics in terms of total connected porosity (about 0.31 for the limestone and 0.07 for the sandstone) and are typical of several applications in hydrogeology and petroleum engineering. The three-dimensional fluid velocity fields within the explicit pore spaces are simulated using ANSYSA (R) FLUENTA (R) ANSYS Inc. (2009), EULAG Prusa et al. (Comput. Fluids 37, 1193-1207 2008), and SSTOKES Sarkar et al. (2002). These computational approaches are highly disperse in terms of algorithmic complexity, differ in terms of their governing equations, the adopted numerical methodologies, the enforcement of internal no-slip boundary conditions at the fluid-solid interface, and the computational mesh structure. As metrics of comparison to probe in a statistical sense the internal similarities/differences across sample populations of velocities obtained through the computational systems, we consider (i) integral quantities, such as the Darcy flux and (ii) main statistical moments of local velocity distributions including local correlations between velocity fields. Comparison of simulation results indicates that mutually consistent estimates of the state of flow are obtained in the analyzed samples of natural pore spaces despite the considerable differences associated with the three computational approaches. We note that in the higher porosity limestone sample, the structures of the velocity fields obtained using ANSYS FLUENT and EULAG are more alike than either compared against the results obtained using SSTOKES. In the low-porosity sample, the structures of the velocity fields obtained by EULAG and SSTOKES are more similar than either is to the fields obtained using ANSYS FLUENT. With respect to macroscopic quantities, ANSYS FLUENT and SSTOKES provide similar results in terms of the average vertical velocity for both of the complex microscale geometries considered, while EULAG tends to render the largest velocity values. The influence of the pore space structure on fluid velocity field characteristics is also discussed. C1 [Siena, M.; Riva, M.; Guadagnini, A.] Politecn Milan, Dipartimento Ingn Civile & Ambientale, I-20133 Milan, Italy. [Hyman, J. D.] Los Alamos Natl Lab, Earth & Environm Sci Div, Los Alamos, NM 87545 USA. [Hyman, J. D.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Riva, M.; Guadagnini, A.; Winter, C. L.] Univ Arizona, Dept Hydrol & Water Resources, Tucson, AZ 85721 USA. [Hyman, J. D.; Winter, C. L.] Univ Arizona, Program Appl Math, Tucson, AZ 85721 USA. [Smolarkiewicz, P. K.] European Ctr Medium Range Weather Forecasts, Reading RG2 9AX, Berks, England. [Gouze, P.; Sadhukhan, S.] Univ Montpellier, CNRS, Geosci, F-34095 Montpellier, France. [Inzoli, F.; Guedon, G.; Colombo, E.] Politecn Milan, Dipartimento Energia, I-20133 Milan, Italy. RP Siena, M (reprint author), Politecn Milan, Dipartimento Ingn Civile & Ambientale, I-20133 Milan, Italy. EM martina.siena@polimi.it RI Gouze, Philippe/A-3929-2010; Majorque, Majorque/I-9431-2012; OI Guedon, Gael Raymond/0000-0001-6429-4210; Riva, Monica/0000-0002-7304-4114; Inzoli, Fabio/0000-0003-0799-3458; Colombo, Emanuela/0000-0002-9747-5699; Hyman, Jeffrey /0000-0002-4224-2847 FU MIUR; U.S. Department of Energy through the LANL/LDRD [20140002DR, DE-AC52-06NA25396]; European Research Council under the European Union [320375] FX MS and MR are grateful for partial financial support from MIUR (Project PRIN 2010/2011 "Hydroelectric energy by osmosis in coastal areas"). JDH acknowledges the support of the U.S. Department of Energy through the LANL/LDRD projects 20140002DR (grant no. DE-AC52-06NA25396). PKS acknowledges support by funding received from the European Research Council under the European Union's Seventh Framework Programme (FP7/2012/ERC Grant agreement no. 320375). NR 49 TC 4 Z9 4 U1 6 U2 29 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1420-0597 EI 1573-1499 J9 COMPUTAT GEOSCI JI Comput. Geosci. PD APR PY 2015 VL 19 IS 2 BP 423 EP 437 DI 10.1007/s10596-015-9486-7 PG 15 WC Computer Science, Interdisciplinary Applications; Geosciences, Multidisciplinary SC Computer Science; Geology GA CJ2SP UT WOS:000355335100010 ER PT J AU Myint, PC Firoozabadi, A AF Myint, Philip C. Firoozabadi, Abbas TI Thin liquid films in improved oil recovery from low-salinity brine SO CURRENT OPINION IN COLLOID & INTERFACE SCIENCE LA English DT Review DE Low-salinity; Waterflood; LSW; Brine; Double-layer; Sandstone; Carbonate; Film ID WETTABILITY ALTERATION; CARBONATE RESERVOIRS; WATER INJECTION; SURFACE; MECHANISMS; QUARTZ; IONS; INTERFACES; CALCITE; IMPACT AB Low-salinity waterflooding is a relatively new method for improved oil recovery that has generated much interest. It is generally believed that low-salinity brine alters the wettability of oil reservoir rocks towards a wetting state that is optimal for recovery. The mechanism(s) by which the wettability alteration occurs is currently an unsettled issue. This paper reviews recent studies on wettability alteration mechanisms that affect the interactions between the brine/oil and brine/rock interfaces of thin brine films that wet the surface of reservoir rocks. Of these mechanisms, we pay particular attention to double-layer expansion, which is closely tied to an increase in the thickness and stability of the thin brine films. Our review examines studies on both sandstones and carbonate rocks. We conclude that the thin-brine-film mechanisms provide a good qualitative, though incomplete, picture of this very complicated problem. We give suggestions for future studies that may help provide a more quantitative and complete understanding of low-salinity waterflooding. (C) 2015 Published by Elsevier Ltd. C1 [Myint, Philip C.; Firoozabadi, Abbas] Yale Univ, Dept Chem & Environm Engn, New Haven, CT 06520 USA. [Myint, Philip C.] Lawrence Livermore Natl Lab, Livermore, CA USA. [Firoozabadi, Abbas] Reservoir Engn Res Inst, Palo Alto, CA USA. RP Firoozabadi, A (reprint author), Yale Univ, Dept Chem & Environm Engn, New Haven, CT 06520 USA. EM abbas.flroozabadi@yale.edu OI Myint, Philip/0000-0003-4383-5350 FU U.S. Department of Energy by Lawrence Livermore National Laboratory [AC52-07NA27344]; Lawrence Livermore National Laboratory; Reservoir Engineering Research Institute 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. Financial support for this work was provided by Lawrence Livermore National Laboratory and the members of the Reservoir Engineering Research Institute. NR 51 TC 22 Z9 22 U1 8 U2 38 PU ELSEVIER SCIENCE LONDON PI LONDON PA 84 THEOBALDS RD, LONDON WC1X 8RR, ENGLAND SN 1359-0294 EI 1879-0399 J9 CURR OPIN COLLOID IN JI Curr. Opin. Colloid Interface Sci. PD APR PY 2015 VL 20 IS 2 BP 105 EP 114 DI 10.1016/j.cocis.2015.03.002 PG 10 WC Chemistry, Physical SC Chemistry GA CJ3ER UT WOS:000355366700005 ER PT J AU Defterli, O D'Elia, M Du, Q Gunzburger, M Lehoucq, R Meerschaert, MM AF Defterli, Ozlem D'Elia, Marta Du, Qiang Gunzburger, Max Lehoucq, Rich Meerschaert, Mark M. TI FRACTIONAL DIFFUSION ON BOUNDED DOMAINS SO FRACTIONAL CALCULUS AND APPLIED ANALYSIS LA English DT Article DE fractional diffusion; boundary value problem; nonlocal diffusion; well-posed equation ID PARTIAL-DIFFERENTIAL-EQUATIONS; ADVECTION-DISPERSION EQUATION; VOLUME-CONSTRAINED PROBLEMS; NONLOCAL DIFFUSION; NUMERICAL-SOLUTION; VECTOR CALCULUS; LEVY MOTION; ORDER; APPROXIMATIONS AB The mathematically correct specification of a fractional differential equation on a bounded domain requires specification of appropriate boundary conditions, or their fractional analogue. This paper discusses the application of nonlocal diffusion theory to specify well-posed fractional diffusion equations on bounded domains. C1 [Defterli, Ozlem; Meerschaert, Mark M.] Michigan State Univ, Dept Stat & Probabil, E Lansing, MI 48824 USA. [Defterli, Ozlem] Ankaya Univ, Dept Math & Comp Sci, TR-06790 Ankara, Turkey. [D'Elia, Marta] Sandia Natl Labs, Optimizat & Uncertainty Quantificat, Albuquerque, NM 87123 USA. [Du, Qiang] Columbia Univ, Fu Fdn Sch Engn & Appl Sci, Dept Appl Phys & Appl Math, New York, NY 10027 USA. [Du, Qiang] Penn State Univ, Dept Math, University Pk, PA 16802 USA. [Gunzburger, Max] Florida State Univ, Dept Comp Sci, Tallahassee, FL 32309 USA. [Lehoucq, Rich] Sandia Natl Labs, Computat Math, Albuquerque, NM 87123 USA. RP Defterli, O (reprint author), Michigan State Univ, Dept Stat & Probabil, E Lansing, MI 48824 USA. EM defterli@stt.msu.edu; mdelia@sandia.gov; qdu@math.psu.edu; gunzburg@fsu.edu; rblehou@sandia.gov; mcubed@stt.msu.edu RI Du, Qiang/B-1021-2008 OI Du, Qiang/0000-0002-1067-8937 FU U.S. National Science Foundation [DMS-1315259, DMS-1318586, DMS-1025486, EAR-1344280]; Sandia National Laboratories; U.S. Department of Energy [DE-AC04-94AL85000]; Scientific and Technical Research Council of Turkey FX This research was partially supported by U.S. National Science Foundation under grants DMS-1315259 (for MD and MG), DMS-1318586 (for QD), and DMS-1025486 and EAR-1344280 (for MM). The research of RL was supported by the Sandia National Laboratories. 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. The work of OD was partially supported by the Scientific and Technical Research Council of Turkey. NR 47 TC 12 Z9 12 U1 1 U2 7 PU WALTER DE GRUYTER GMBH PI BERLIN PA GENTHINER STRASSE 13, D-10785 BERLIN, GERMANY SN 1311-0454 EI 1314-2224 J9 FRACT CALC APPL ANAL JI Fract. Calc. Appl. Anal. PD APR PY 2015 VL 18 IS 2 BP 342 EP 360 DI 10.1515/fca-2015-0023 PG 19 WC Mathematics, Applied; Mathematics, Interdisciplinary Applications; Mathematics SC Mathematics GA CJ0WO UT WOS:000355200300005 ER PT J AU Zhou, C Haddad, D Kukreja, RS Pinkerton, FE Sun, KW Kramer, MJ AF Zhou, Chen Haddad, Daad Kukreja, Ratandeep S. Pinkerton, Frederick E. Sun, Kewei Kramer, M. J. TI Magnetic Hardening of CeFe11Ti and the Effect of TiC Addition SO IEEE TRANSACTIONS ON MAGNETICS LA English DT Article DE Curie temperature; melt-spinning; permanent magnet; rare-earth; TiC ID THMN12-TYPE STRUCTURE; RAPID SOLIDIFICATION; ND2FE14B; ALLOYS; ND; MO; PRECIPITATION; SYSTEM AB We report the magnetic hardening of CeFe11Ti by melt spinning and compare ribbons prepared with and without TiC additions for grain refinement. X-ray diffraction indicates that samples melt-spun at surface wheel speeds between v(s) = 10 and 35 m/s are multiphased. However, CeFe11Ti with a major ThMn12-type phase has been successfully obtained either by directly melt spinning at the optimum wheel speed v(s) = 10 m/s or by annealing the overquenched ribbons melt spun at v(s) = 35 m/s. To restrain the grain growth during annealing, 3 and 6 at% TiC have been added to the starting ingots, which were subsequently melt spun in the same range of wheel speed. For as-spun samples, adding TiC leads to much finer grains as well as much greater phase separation compared with samples without TiC. However, upon annealing, multiphased TiC added samples can be fully converted to the desired CeFe11Ti phase with ThMn(12)type crystal structure together with TiC precipitates. Because of the grain refining effect played by TiC, samples with TiC are subject to less grain growth during the heat treatment, and hence feature an enhanced H-ci = 1.3 kOe and energy product (BH)(max) = 0.87 MGOe that are 18% and 22% higher, respectively, compared with the best annealed samples without TiC. C1 [Zhou, Chen; Haddad, Daad] MEDA Engn & Tech Serv LLC, Southfield, MI 48075 USA. [Kukreja, Ratandeep S.; Pinkerton, Frederick E.] Gen Motors Res & Dev Ctr, Warren, MI 48090 USA. [Sun, Kewei; Kramer, M. J.] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. RP Zhou, C (reprint author), MEDA Engn & Tech Serv LLC, Southfield, MI 48075 USA. EM kzhou08@gmail.com FU ARPA-E under Ames Laboratory [0472-1526]; [DE-AC02-07CH11358] FX The authors would like to thank R. W. McCallum at Ames National Laboratory for fruitful discussion, J. Herbst for warm encouragement, and M. Meyer for technical assistance. This work was supported by ARPA-E under Grant 0472-1526 through the Ames Laboratory. Ames Laboratory is operated by Iowa State University under Contract DE-AC02-07CH11358. NR 18 TC 2 Z9 2 U1 3 U2 9 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9464 EI 1941-0069 J9 IEEE T MAGN JI IEEE Trans. Magn. PD APR PY 2015 VL 51 IS 4 AR 2100104 DI 10.1109/TMAG.2014.2361644 PN 2 PG 4 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA CJ0XM UT WOS:000355203700003 ER PT J AU Paxton, W Sanchez, S Nitta, T AF Paxton, Walter Sanchez, Samuel Nitta, Takahiro TI Guest Editorial: Special Issue Micro- and Nanomachines SO IEEE TRANSACTIONS ON NANOBIOSCIENCE LA English DT Editorial Material C1 [Paxton, Walter] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Sanchez, Samuel] Max Planck Inst Intelligent Syst, Stuttgart, Germany. [Sanchez, Samuel] Inst Bioengn Catalonia, Barcelona, Spain. [Nitta, Takahiro] Gifu Univ, Gifu, Japan. RP Paxton, W (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 0 TC 0 Z9 0 U1 0 U2 2 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1536-1241 EI 1558-2639 J9 IEEE T NANOBIOSCI JI IEEE Trans. Nanobiosci. PD APR PY 2015 VL 14 IS 3 SI SI BP 258 EP 259 DI 10.1109/TNB.2015.2428871 PG 2 WC Biochemical Research Methods; Nanoscience & Nanotechnology SC Biochemistry & Molecular Biology; Science & Technology - Other Topics GA CJ2NG UT WOS:000355321100001 PM 26213736 ER PT J AU Kaiser, A Sokolov, A Aranson, IS Lowen, H AF Kaiser, Andreas Sokolov, Andrey Aranson, Igor S. Loewen, Hartmut TI Mechanisms of Carrier Transport Induced by a Microswimmer Bath SO IEEE TRANSACTIONS ON NANOBIOSCIENCE LA English DT Article DE Computational modeling; dynamics; micromotor; microorganisms; nanobioscience; physics ID SWIMMING BACTERIA; ACTIVE MATTER; PARTICLES; SUSPENSIONS; DIFFUSION; MACROMOLECULES; MICROCHANNELS; TRAJECTORIES; SPERMATOZOA; NANOMOTORS AB It was shown that a wedgelike microparticle (referred to as "carrier") exhibits a directed translational motion along the wedge cusp if it is exposed to a bath of microswimmers. Here we model this effect in detail by resolving the microswimmers explicitly using interaction models with different degrees of mutual alignment. Using computer simulations we study the impact of these interactions on the transport efficiency of a V-shaped carrier. We show that the transport mechanism itself strongly depends on the degree of alignment embodied in the modeling of the individual swimmer dynamics. For weak alignment, optimal carrier transport occurs in the turbulent microswimmer state and is induced by swirl depletion inside the carrier. For strong aligning interactions, optimal transport occurs already in the dilute regime and is mediated by a polar cloud of swimmers in the carrier wake pushing the wedge-particle forward. We also demonstrate that the optimal shape of the carrier leading to maximal transport speed depends on the kind of interaction model used. C1 [Kaiser, Andreas; Loewen, Hartmut] Univ Dusseldorf, Inst Theoret Phys Weiche Mat 2, D-40225 Dusseldorf, Germany. [Sokolov, Andrey; Aranson, Igor S.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Kaiser, A (reprint author), Univ Dusseldorf, Inst Theoret Phys Weiche Mat 2, D-40225 Dusseldorf, Germany. EM kaiser@thphy.uni-duesseldorf.de RI Kaiser, Andreas/K-2166-2012; Lowen, Hartmut/K-9999-2016 OI Lowen, Hartmut/0000-0001-5376-8062 FU ERC Advanced Grant INTER-COCOS [267499]; DFG [SPP 1726]; U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences (BES), Materials Science and Engineering Division FX The work of A. Kaiser was supported by the ERC Advanced Grant INTER-COCOS (Grant No. 267499). The work of H. Lowen was supported by the SPP 1726 of the DFG. The work of A. Sokolov and I. S. Aranson was supported by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences (BES), Materials Science and Engineering Division. NR 100 TC 2 Z9 2 U1 2 U2 12 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1536-1241 EI 1558-2639 J9 IEEE T NANOBIOSCI JI IEEE Trans. Nanobiosci. PD APR PY 2015 VL 14 IS 3 SI SI BP 260 EP 266 DI 10.1109/TNB.2014.2361652 PG 7 WC Biochemical Research Methods; Nanoscience & Nanotechnology SC Biochemistry & Molecular Biology; Science & Technology - Other Topics GA CJ2NG UT WOS:000355321100002 PM 25347885 ER PT J AU Zhao, L Yu, YQ Delzanno, GL Jordanova, VK AF Zhao, Lei Yu, Yiqun Delzanno, Gian Luca Jordanova, Vania K. TI Bounce- and MLT-averaged diffusion coefficients in a physics-based magnetic field geometry obtained from RAM-SCB for the 17 March 2013 storm SO JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS LA English DT Article DE Radiation belt; Ring current; diffusion coefficients ID VAN ALLEN PROBES; RADIATION-BELT ELECTRONS; PITCH-ANGLE DIFFUSION; ION-CYCLOTRON WAVES; RELATIVISTIC ELECTRONS; CHORUS WAVES; MAGNETOSPHERIC CHORUS; LOCAL ACCELERATION; PRECIPITATION; ENHANCEMENTS AB Local acceleration via whistler wave and particle interaction plays a significant role in particle dynamics in the radiation belt. In this work we explore gyroresonant wave-particle interaction and quasi-linear diffusion in different magnetic field configurations related to the 17 March 2013 storm. We consider the Earth's magnetic dipole field as a reference and compare the results against nondipole field configurations corresponding to quiet and stormy conditions. The latter are obtained with the ring current-atmosphere interactions model with a self-consistent magnetic field (RAM-SCB), a code that models the Earth's ring current and provides a realistic modeling of the Earth's magnetic field. By applying quasi-linear theory, the bounce- and Magnetic Local Time (MLT)-averaged electron pitch angle, mixed-term, and energy diffusion coefficients are calculated for each magnetic field configuration. For radiation belt (approximate to 1 MeV) and ring current (approximate to 100 keV) electrons, it is shown that at some MLTs the bounce-averaged diffusion coefficients become rather insensitive to the details of the magnetic field configuration, while at other MLTs storm conditions can expand the range of equatorial pitch angles where gyroresonant diffusion occurs and significantly enhance the diffusion rates. When MLT average is performed at drift shell L=4.25 (a good approximation to drift average), the diffusion coefficients become quite independent of the magnetic field configuration for relativistic electrons, while the opposite is true for lower energy electrons. These results suggest that, at least for the 17 March 2013 storm and for L less than or similar to 4.25, the commonly adopted dipole approximation of the Earth's magnetic field can be safely used for radiation belt electrons, while a realistic modeling of the magnetic field configuration is necessary to describe adequately the diffusion rates of ring current electrons. C1 [Zhao, Lei; Yu, Yiqun; Delzanno, Gian Luca] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87544 USA. [Jordanova, Vania K.] Los Alamos Natl Lab, Intelligence & Space Res Div, Los Alamos, NM USA. RP Zhao, L (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87544 USA. EM lzhao@lanl.gov RI Yu, Yiqun/E-2710-2012; OI Yu, Yiqun/0000-0002-1013-6505; Jordanova, Vania/0000-0003-0475-8743 FU Laboratory Directed Research and Development program (LDRD); National Nuclear Security Administration of the U.S. Department of Energy by Los Alamos National Laboratory [DE-AC52-06NA25396]; NASA [NNG13PJ05I, NNH14AX90I]; NSF [IAA1203460] FX This work was funded by the Laboratory Directed Research and Development program (LDRD), under the auspices of the National Nuclear Security Administration of the U.S. Department of Energy by Los Alamos National Laboratory, operated by Los Alamos National Security LLC under contract DE-AC52-06NA25396, and from NASA grants NNG13PJ05I and NNH14AX90I and NSF grant IAA1203460. Simulation data used in this study can be obtained by contacting the authors. NR 45 TC 1 Z9 1 U1 0 U2 5 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-9380 EI 2169-9402 J9 J GEOPHYS RES-SPACE JI J. Geophys. Res-Space Phys. PD APR PY 2015 VL 120 IS 4 BP 2616 EP 2630 DI 10.1002/2014JA020858 PG 15 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA CI6TL UT WOS:000354894800019 ER PT J AU Min, K Liu, KJ Bonnell, JW Breneman, AW Denton, RE Funsten, HO Jahn, JM Kletzing, CA Kurth, WS Larsen, BA Reeves, GD Spence, HE Wygant, JR AF Min, Kyungguk Liu, Kaijun Bonnell, John W. Breneman, Aaron W. Denton, Richard E. Funsten, Herbert O. Jahn, Joeerg-Micha Kletzing, Craig A. Kurth, William S. Larsen, Brian A. Reeves, Geoffrey D. Spence, Harlan E. Wygant, John R. TI Study of EMIC wave excitation using direct ion measurements SO JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS LA English DT Article DE EMIC wave excitation; observation; linear theory and hybrid simulation ID CYCLOTRON WAVES; GEOSYNCHRONOUS ORBIT; GEOMAGNETIC STORMS; RADIATION BELTS; THERMAL PLASMA; MAGNETOSPHERE; INSTABILITIES; FREQUENCY; PARTICLE; O+ AB With data from Van Allen Probes, we investigate electromagnetic ion cyclotron (EMIC) wave excitation using simultaneously observed ion distributions. Strong He band waves occurred while the spacecraft was moving through an enhanced density region. We extract from helium, oxygen, proton, and electron mass spectrometer measurement the velocity distributions of warm heavy ions as well as anisotropic energetic protons that drive wave growth through the ion cyclotron instability. Fitting the measured ion fluxes to multiple sin(m)-type distribution functions, we find that the observed ions make up about 15% of the total ions, but about 85% of them are still missing. By making legitimate estimates of the unseen cold (below approximate to 2eV) ion composition from cutoff frequencies suggested by the observed wave spectrum, a series of linear instability analyses and hybrid simulations are carried out. The simulated waves generally vary as predicted by linear theory. They are more sensitive to the cold O+ concentration than the cold He+ concentration. Increasing the cold O+ concentration weakens the He band waves but enhances the O band waves. Finally, the exact cold ion composition is suggested to be in a range when the simulated wave spectrum best matches the observed one. C1 [Min, Kyungguk; Liu, Kaijun] Auburn Univ, Dept Phys, Auburn, AL 36849 USA. [Bonnell, John W.] Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. [Breneman, Aaron W.; Wygant, John R.] Univ Minnesota, Sch Phys & Astron, Minneapolis, MN 55455 USA. [Denton, Richard E.] Dartmouth Coll, Dept Phys & Astron, Hanover, NH 03755 USA. [Funsten, Herbert O.; Larsen, Brian A.; Reeves, Geoffrey D.] Los Alamos Natl Lab, Los Alamos, NM USA. [Jahn, Joeerg-Micha] Southwest Res Inst, Dept Space Sci, San Antonio, TX USA. [Kletzing, Craig A.; Kurth, William S.] Univ Iowa, Dept Phys & Astron, Iowa City, IA 52242 USA. [Spence, Harlan E.] Univ New Hampshire, Inst Study Earth Oceans & Space, Durham, NH 03824 USA. RP Min, K (reprint author), Auburn Univ, Dept Phys, Auburn, AL 36849 USA. EM kmin@auburn.edu RI Reeves, Geoffrey/E-8101-2011; OI Reeves, Geoffrey/0000-0002-7985-8098; Kletzing, Craig/0000-0002-4136-3348; Funsten, Herbert/0000-0002-6817-1039; Kurth, William/0000-0002-5471-6202 FU NASA [NNX13AD62G, NNX13AD65G, NNX08AM58G]; NSF [1303623]; RBSP-ECT-JHU/APL under NASA [967399, NAS5-01072]; EFW team under JHU/APL [922613] FX The work at Auburn University was supported by NASA grant NNX13AD62G and NSF grant 1303623. The work at Dartmouth College was supported by NASA grants NNX13AD65G and NNX08AM58G. The ECT/HOPE instrument was supported by RBSP-ECT funding provided by JHU/APL contract 967399 under NASA's prime contract NAS5-01072. The work by the EFW team was conducted under JHU/APL contract 922613 (RBSP-EFW). We acknowledge the Van Allen Probes data from the EMFISIS instrument obtained from https://emfisis.physics.uiowa.edu/data/index, from the HOPE instrument obtained from http://www.rbsp-ect.lanl.gov/data_pub/, and from the EFW instrument obtained from http://www.space.umn.edu/rbspefw-data/. Computational resources supporting this work were provided by the NASA High-End Computing (HEC) Program through the NASA Advanced Supercomputing (NAS) Division at Ames Research Center. NR 58 TC 8 Z9 8 U1 0 U2 1 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-9380 EI 2169-9402 J9 J GEOPHYS RES-SPACE JI J. Geophys. Res-Space Phys. PD APR PY 2015 VL 120 IS 4 BP 2702 EP 2719 DI 10.1002/2014JA020717 PG 18 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA CI6TL UT WOS:000354894800025 ER PT J AU Miyoshi, Y Oyama, S Saito, S Kurita, S Fujiwara, H Kataoka, R Ebihara, Y Kletzing, C Reeves, G Santolik, O Clilverd, M Rodger, CJ Turunen, E Tsuchiya, F AF Miyoshi, Y. Oyama, S. Saito, S. Kurita, S. Fujiwara, H. Kataoka, R. Ebihara, Y. Kletzing, C. Reeves, G. Santolik, O. Clilverd, M. Rodger, C. J. Turunen, E. Tsuchiya, F. TI Energetic electron precipitation associated with pulsating aurora: EISCAT and Van Allen Probe observations SO JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS LA English DT Article DE pulsating aurora; EISCAT; Van Allen Probes; pitch angle scattering ID RADIATION BELT; MICROBURST PRECIPITATION; DENSITY PROFILES; CHORUS; PARTICLE; PLASMA; STORM AB Pulsating auroras show quasi-periodic intensity modulations caused by the precipitation of energetic electrons of the order of tens of keV. It is expected theoretically that not only these electrons but also subrelativistic/relativistic electrons precipitate simultaneously into the ionosphere owing to whistler mode wave-particle interactions. The height-resolved electron density profile was observed with the European Incoherent Scatter (EISCAT) TromsO VHF radar on 17 November 2012. Electron density enhancements were clearly identified at altitudes >68km in association with the pulsating aurora, suggesting precipitation of electrons with a broadband energy range from similar to 10keV up to at least 200keV. The riometer and network of subionospheric radio wave observations also showed the energetic electron precipitations during this period. During this period, the footprint of the Van Allen Probe-A satellite was very close to TromsO and the satellite observed rising tone emissions of the lower band chorus (LBC) waves near the equatorial plane. Considering the observed LBC waves and electrons, we conducted a computer simulation of the wave-particle interactions. This showed simultaneous precipitation of electrons at both tens of keV and a few hundred keV, which is consistent with the energy spectrum estimated by the inversion method using the EISCAT observations. This result revealed that electrons with a wide energy range simultaneously precipitate into the ionosphere in association with the pulsating aurora, providing the evidence that pulsating auroras are caused by whistler chorus waves. We suggest that scattering by propagating whistler simultaneously causes both the precipitations of subrelativistic electrons and the pulsating aurora. C1 [Miyoshi, Y.; Oyama, S.; Kurita, S.] Nagoya Univ, Solar Terr Environm Lab, Nagoya, Aichi, Japan. [Saito, S.] Nagoya Univ, Grad Sch Sci, Nagoya, Aichi 4648601, Japan. [Fujiwara, H.] Seikei Univ, Fac Sci & Technol, Musashino, Tokyo, Japan. [Kataoka, R.] Natl Inst Polar Res, Tachikawa, Tokyo, Japan. [Ebihara, Y.] Kyoto Univ, Res Inst Sustainable Humanosphere, Uji, Japan. [Kletzing, C.] Univ Iowa, Iowa City, IA USA. [Reeves, G.] Los Alamos Natl Lab, Los Alamos, NM USA. [Santolik, O.] Inst Atmospher Phys CAS, Dept Space Phys, Prague, Czech Republic. [Santolik, O.] Charles Univ Prague, Fac Math & Phys, Prague, Czech Republic. [Clilverd, M.] British Antarctic Survey, Cambridge CB3 0ET, England. [Rodger, C. J.] Univ Otago, Dept Phys, Dunedin, New Zealand. [Turunen, E.] Univ Oulu, Sodankyla Geophys Observ, Oulu, Finland. [Tsuchiya, F.] Tohoku Univ, Planetary Plasma & Atmospher Res Ctr, Sendai, Miyagi 980, Japan. RP Miyoshi, Y (reprint author), Nagoya Univ, Solar Terr Environm Lab, Nagoya, Aichi 4648601, Japan. EM miyoshi@stelab.nagoya-u.ac.jp RI Miyoshi, Yoshizumi/B-5834-2015; Santolik, Ondrej/F-7766-2014; Reeves, Geoffrey/E-8101-2011; Ebihara, Yusuke/D-1638-2013; Rodger, Craig/A-1501-2011; OI Miyoshi, Yoshizumi/0000-0001-7998-1240; Reeves, Geoffrey/0000-0002-7985-8098; Ebihara, Yusuke/0000-0002-2293-1557; Rodger, Craig/0000-0002-6770-2707; Kletzing, Craig/0000-0002-4136-3348 FU China (CRIRP); Finland (SA); Federal Republic of Germany (DFG), Japan (STEL); Federal Republic of Germany (DFG), Japan (NIPR); Norway (NFR); Sweden (VR); United Kingdom (PPARC); Japan Society for the Promotion of Science (JSPS) [23340146, 23224011, 24540478, 25302006, 08811147]; JSPS Program for Advancing Strategic International Networks [G2602]; International Space Science Institute's (ISSI) International Team program FX Data of EISCAT radar used in this study were opened to the public via the EISCAT website (http://www.eiscat.se/raw/schedule/schedule.cgi). The quick look of all-sky imager and the photometer data at Tromso can be provided from the Solar-Terrestrial Environment Laboratory, Nagoya University, Japan (http://www.stelab.nagoya-u.ac.jp/similar to eiscat/prephoto_data.html). The Van Allen Probes data used in this study have been opened to the public from the University of Iowa, USA (https://emfisis.physics.uiowa.edu/), and the Los Alamos National Laboratory, USA (http://www.rbsp-ect.lanl.gov/). We are indebted to the director and staff of EISCAT for operating the facility and supplying the data. EISCAT is an International Association supported by China (CRIRP), Finland (SA), the Federal Republic of Germany (DFG), Japan (STEL and NIPR), Norway (NFR), Sweden (VR), and the United Kingdom (PPARC). We thank the institutes who maintain the IMAGE Magnetometer Array. A part of this work was carried out by the joint research program of the Solar-Terrestrial Environment Laboratory, Nagoya University. This study is supported by Grants-in-Aid for Scientific Research (23340146, 23224011, 24540478, 25302006, and 08811147) of Japan Society for the Promotion of Science (JSPS). This work is also supported by JSPS Program for Advancing Strategic International Networks to Accelerate the Circulation of Talented Researchers under grant G2602 and research supported by the International Space Science Institute's (ISSI) International Team program. NR 43 TC 18 Z9 18 U1 2 U2 6 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-9380 EI 2169-9402 J9 J GEOPHYS RES-SPACE JI J. Geophys. Res-Space Phys. PD APR PY 2015 VL 120 IS 4 BP 2754 EP 2766 DI 10.1002/2014JA020690 PG 13 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA CI6TL UT WOS:000354894800028 ER PT J AU Upadhyaya, M Jindal, V Basavalingappa, A Herbol, H Harris-Jones, J Jang, IY Goldberg, KA Mochi, I Marokkey, S Demmerle, W Pistor, TV Denbeaux, G AF Upadhyaya, Mihir Jindal, Vibhu Basavalingappa, Adarsh Herbol, Henry Harris-Jones, Jenah Jang, Il-Yong Goldberg, Kenneth A. Mochi, Iacopo Marokkey, Sajan Demmerle, Wolfgang Pistor, Thomas V. Denbeaux, Gregory TI Evaluating printability of buried native extreme ultraviolet mask phase defects through a modeling and simulation approach SO JOURNAL OF MICRO-NANOLITHOGRAPHY MEMS AND MOEMS LA English DT Article DE extreme ultraviolet lithography; extreme ultraviolet mask defects; defect printability; level-set growth model; Actinic Inspection Tool; waveguide simulations ID LOCALIZED DEFECTS; LITHOGRAPHY; FRONTS AB Since completely defect-free masks will be hard to achieve, it is essential to have a good understanding of the printability of the native extreme ultraviolet (EUV) mask defects. In this work, we performed a systematic study of native mask defects to understand the defect printability they cause. The multilayer growth over native substrate mask blank defects was correlated to the multilayer growth over regular-shaped defects having similar profiles in terms of their width and height. To model the multilayer growth over the defects, a multilayer growth model based on a level-set technique was used that took into account the tool deposition conditions of the Veeco Nexus ion beam deposition tool. Further, the printability of the characterized native defects was studied at the SEMATECH-Berkeley Actinic Inspection Tool (AIT), an EUV mask-imaging microscope at Lawrence Berkeley National Laboratory. Printability of the modeled regular-shaped defects, which were propagated up the multilayer stack using level-set growth model, was studied using defect printability simulations implementing the waveguide algorithm. Good comparison was observed between AIT and the simulation results, thus demonstrating that multilayer growth over a defect is primarily a function of a defect's width and height, irrespective of its shape. (C) 2015 Society of Photo-Optical Instrumentation Engineers (SPIE) C1 [Upadhyaya, Mihir; Basavalingappa, Adarsh; Herbol, Henry; Denbeaux, Gregory] SUNY Albany, Coll Nanoscale Sci & Engn, Albany, NY 12203 USA. [Jindal, Vibhu] SEMATECH, Albany, NY 12203 USA. [Harris-Jones, Jenah] Global Foundries, Malta, NY 12020 USA. [Jang, Il-Yong] Samsung Elect Co, Suwon 443742, Gyeonggi Do, South Korea. [Goldberg, Kenneth A.; Mochi, Iacopo] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Marokkey, Sajan; Demmerle, Wolfgang] Synopsys, Mountain View, CA 94043 USA. [Pistor, Thomas V.] Panoram Technol Inc, Burlingame, CA 94010 USA. RP Upadhyaya, M (reprint author), SUNY Albany, Coll Nanoscale Sci & Engn, 255 Fuller Rd, Albany, NY 12203 USA. EM mihirupadhyaya@gmail.com FU SEMATECH; U.S. Department of Energy [DE-AC02-05CH11231] FX The authors would like to acknowledge the helpful ideas from Yudhishthir Kandel of SUNY College of Nanoscale Science and Engineering. The AIT was funded by SEMATECH, and work was performed by University of California Lawrence Berkeley National Laboratory under the auspices of the U.S. Department of Energy, Contract No. DE-AC02-05CH11231. NR 35 TC 1 Z9 1 U1 1 U2 6 PU SPIE-SOC PHOTO-OPTICAL INSTRUMENTATION ENGINEERS PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98225 USA SN 1932-5150 EI 1932-5134 J9 J MICRO-NANOLITH MEM JI J. Micro-Nanolithogr. MEMS MOEMS PD APR PY 2015 VL 14 IS 2 AR 023505 DI 10.1117/1.JMM.14.2.023505 PG 8 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Optics SC Engineering; Science & Technology - Other Topics; Materials Science; Optics GA CJ2AL UT WOS:000355286400011 ER PT J AU Giorgi, EE AF Giorgi, Elena E. TI FROM MANY, ONE SO SCIENTIST LA English DT Article ID FETAL CELL MICROCHIMERISM; PAPILLARY THYROID-CANCER; BREAST-CANCER; CHIMERISM; DISEASE; BLOOD; WOMEN C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Giorgi, EE (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. NR 19 TC 0 Z9 0 U1 1 U2 1 PU LABX MEDIA GROUP PI MIDLAND PA PO BOX 216, 478 BAY ST, MIDLAND, ONTARIO L4R 1K9, CANADA SN 0890-3670 EI 1547-0806 J9 SCIENTIST JI Scientist PD APR PY 2015 VL 29 IS 4 BP 58 EP 63 PG 6 WC Information Science & Library Science; Multidisciplinary Sciences SC Information Science & Library Science; Science & Technology - Other Topics GA CJ3HY UT WOS:000355375200011 ER PT J AU Beasley, JC Dharmarajan, G Rhodes, OE AF Beasley, J. C. Dharmarajan, G. Rhodes, O. E., Jr. TI Melding kin structure and demography to elucidate source and sink habitats in fragmented landscapes SO ECOSPHERE LA English DT Article DE agricultural ecosystem; carnivore; demography; habitat fragmentation; kin structure; metapopulation; population dynamics; Procyon lotor; raccoon; source sink; survival ID RACCOONS PROCYON-LOTOR; SOLITARY CARNIVORE; POPULATION-GROWTH; PROGRAM MARK; DYNAMICS; ATTRIBUTES; DISPERSAL; RANGE; IDENTIFICATION; HETEROGENEITY AB The source-sink model undoubtedly is one of the most established paradigms for associating variance in population dynamics with heterogeneity in habitat quality. However, despite extensive theoretical support by the scientific community, the majority of studies seeking empirical validation for this model have lacked sufficient data to distinguish source and sink habitats, particularly for large or secretive mammals. Using relatively long-term mark-recapture and genetic data for a generalist mesopredator within a fragmented agricultural ecosystem, we show that use of a two-stage approach incorporating both genetic and demographic data can be a powerful tool for evaluating the population structure of organisms occupying complex ecological systems. We further demonstrate that a strong concordance exists between demographic attributes and underlying genetic expectations, suggesting evaluation of fine-scale genetic patterns alone may provide valuable insights into the population dynamics of species. These data have important implications for advancing our ability to quantify heterogeneity in population stability, particularly for large or imperiled species where sufficient demographic data cannot be obtained to parameterize traditional source-sink models. C1 [Beasley, J. C.; Dharmarajan, G.; Rhodes, O. E., Jr.] Purdue Univ, Dept Forestry & Nat Resources, W Lafayette, IN 47907 USA. RP Beasley, JC (reprint author), Univ Georgia, Savannah River Ecol Lab, Warnell Sch Forestry & Nat Resources, Aiken, SC 29802 USA. EM beasley@srel.uga.edu FU Purdue University FX The authors thank the many landowners who gave permission for research to be conducted on their property, without which this study would not have been possible. We also thank Z. Olson, W. Beatty, J. Fike, and numerous field assistants for their help with collection of field and genetic data. We thank P. Zollner, B. and Pijanowski for their helpful comments that improved this manuscript. Finally, we thank Purdue University for providing the funding for this research. NR 52 TC 1 Z9 1 U1 2 U2 12 PU ECOLOGICAL SOC AMER PI WASHINGTON PA 1990 M STREET NW, STE 700, WASHINGTON, DC 20036 USA SN 2150-8925 J9 ECOSPHERE JI Ecosphere PD APR PY 2015 VL 6 IS 4 AR 61 DI 10.1890/ES14-00274.1 PG 16 WC Ecology SC Environmental Sciences & Ecology GA CI5EV UT WOS:000354777300016 ER PT J AU Fluegel, B Alberi, K Reno, J Mascarenhas, A AF Fluegel, Brian Alberi, Kirstin Reno, John Mascarenhas, Angelo TI Spectroscopic determination of the bandgap crossover composition in MBE-grown AlxGa1-xAs SO JAPANESE JOURNAL OF APPLIED PHYSICS LA English DT Article ID MOLECULAR-BEAM EPITAXY; ENERGY-GAP DEPENDENCE; AL CONCENTRATION; PHOTOLUMINESCENCE; SPECTRA; ALLOYS; GAAS AB The aluminum concentration dependence of the energies of the direct and indirect bandgaps arising from the inverted right perpendicular and X conduction bands are measured at 1.7 K in the semiconductor alloy AlxGa1-xAs. The composition at which the bands cross is determined from photoluminescence of samples grown by molecular-beam epitaxy very close to crossover at x approximate to 0.4. The use of resonant laser excitation and the improved sample linewidth allows excitation intensities as low as 10(-2)W/cm(2), giving a precise determination of the bound exciton transition energies and their inverted right perpendicular and X crossover. Photoluminescence excitation spectroscopy is then used to measure the binding energies of the donor-bound excitons and the inverted right perpendicular free exciton binding energy. After correcting for the inverted right perpendicular- and X-dependence of these quantities, the crossover of the bandgap is determined to be at x = 0.401 and E = 2.086 eV. (c) 2015 The Japan Society of Applied Physics C1 [Fluegel, Brian; Alberi, Kirstin; Mascarenhas, Angelo] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Reno, John] Ctr Integrated Nanotechnol, Sandia Natl Labs, Albuquerque, NM 87123 USA. RP Fluegel, B (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM brian.fluegel@nrel.gov FU U.S. Department of Energy Office of Science, Basic Energy Sciences [DE-AC36-08GO28308]; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The work performed at NREL is supported by the U.S. Department of Energy Office of Science, Basic Energy Sciences under DE-AC36-08GO28308. This work was performed, in part, at the Center for Integrated Nanotechnologies, a U.S. Department of Energy, Office of Basic Energy Sciences user facility. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 13 TC 2 Z9 2 U1 0 U2 10 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0021-4922 EI 1347-4065 J9 JPN J APPL PHYS JI Jpn. J. Appl. Phys. PD APR PY 2015 VL 54 IS 4 AR 042402 DI 10.7567/JJAP.54.042402 PG 4 WC Physics, Applied SC Physics GA CI4SJ UT WOS:000354743200024 ER PT J AU Johnson, D Carter, MD Crow, BS Isenberg, SL Graham, LA Erol, HA Watson, CM Pantazides, BG van der Schans, MJ Langenberg, JP Noort, D Blake, TA Thomas, JD Johnson, RC AF Johnson, Darryl Carter, Melissa D. Crow, Brian S. Isenberg, Samantha L. Graham, Leigh Ann Erol, H. Akin Watson, Caroline M. Pantazides, Brooke G. van der Schans, Marcel J. Langenberg, Jan P. Noort, Daan Blake, Thomas A. Thomas, Jerry D. Johnson, Rudolph C. TI Quantitation of ortho-cresyl phosphate adducts to butyrylcholinesterase in human serum by immunomagnetic-UHPLC-MS/MS SO JOURNAL OF MASS SPECTROMETRY LA English DT Article DE tri-ortho-cresyl-phosphate; butyrylcholinesterase; cresyl saligenin phosphate; Jamaica ginger paralysis; organophosphate-induced delayed neuropathy ID ORGANOPHOSPHORUS NERVE AGENTS; AIRCRAFT CABIN AIR; AEROTOXIC SYNDROME; MASS-SPECTROMETRY; TRICRESYL PHOSPHATE; EXPOSURE; SAMPLES; OILS AB Tri-ortho-cresyl phosphate (ToCP) is an anti-wear, flame retardant additive used in industrial lubricants, hydraulic fluids and gasoline. cresyl saligenin phosphate or CBDP), which inhibits esterase enzymes including butyrylcholinesterase (BChE). Following BChE adduction, CBDP undergoes hydrolysis to form the aged adduct ortho-cresyl phosphoserine (oCP-BChE), thus providing a biomarker of CBDP exposure. Previous studies have identified ToCP in aircraft cabin and cockpit air, but assessing human exposure has been hampered by the lack of a laboratory assay to confirm exposure. This work presents the development of an wimmunomagnetic-UHPLC-MS/MS method for the quantitation of unadducted BChE and the long-term CBDP biomarker, oCP-BChE, in human serum. The method has a reportable range from 2.0 ng/ml to 150 ng/ml, which is consistent with the sensitivity of methods used to detect organophosphorus nerve agent protein adducts. The assay demonstrated high intraday and interday accuracy (>= 85%) and precision (RSD <= 15%) across the calibration range. The method was developed for future analyses of potential human exposure to CBDP. Analysis of human serum inhibited in vitro with CBDP demonstrated that the oCP-BChE adduct was stable for at least 72h at 4, 22 and 37 degrees C. Compared to a previously reported assay, this method requires 75% less sample volume, reduces analysis time by a factor of 20 and demonstrates a threefold improvement in sensitivity. Published 2015. This article is a U.S. Government work and is in the public domain in the USA. C1 [Johnson, Darryl; Isenberg, Samantha L.; Graham, Leigh Ann; Erol, H. Akin; Watson, Caroline M.] Ctr Dis Control & Prevent, Oak Ridge Inst Sci & Educ, Atlanta, GA 30341 USA. [Carter, Melissa D.; Crow, Brian S.; Pantazides, Brooke G.; Blake, Thomas A.; Thomas, Jerry D.; Johnson, Rudolph C.] Ctr Dis Control & Prevent, Div Sci Lab, Natl Ctr Environm Hlth, Atlanta, GA 30341 USA. [van der Schans, Marcel J.; Langenberg, Jan P.; Noort, Daan] CBRN Protect, Tech Sci, Netherlands Org Appl Sci Res TNO, Rijswijk, Netherlands. RP Carter, MD (reprint author), Ctr Dis Control & Prevent, Div Sci Lab, Atlanta, GA 30341 USA. EM vsm8@cdc.gov OI Blake, Thomas/0000-0001-8536-9998 FU Centers for Disease Control and Prevention; Defense Threat Reduction Agency; Oak Ridge Institute for Science and Education FX This work was supported by the Centers for Disease Control and Prevention, the Defense Threat Reduction Agency and the Oak Ridge Institute for Science and Education. The authors would like to thank Ms. Chariety Sapp of the CDC's Incident Response Laboratory (IRL) for dispensing convenience set serum samples prior to analysis. The authors would also like to express their gratitude for input from colleagues Professor Clement E. Furlong of The University of Washington and Professor Oksana Lockridge of The University of Nebraska Medical Center. NR 39 TC 3 Z9 3 U1 2 U2 22 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1076-5174 EI 1096-9888 J9 J MASS SPECTROM JI J. Mass Spectrom. PD APR PY 2015 VL 50 IS 4 BP 683 EP 692 DI 10.1002/jms.3576 PG 10 WC Biochemical Research Methods; Chemistry, Analytical; Spectroscopy SC Biochemistry & Molecular Biology; Chemistry; Spectroscopy GA CI3NR UT WOS:000354655000005 PM 26149113 ER PT J AU Alexiou, ADP Decandio, CC Almeida, SDN Ferreira, MJP Romoff, P Rocha, RC AF Alexiou, Anamaria D. P. Decandio, Carla C. Almeida, Sabrina da N. Ferreira, Marcelo J. P. Romoff, Paulete Rocha, Reginaldo C. TI A Trinuclear Oxo-Chromium(III) Complex Containing the Natural Flavonoid Primuletin: Synthesis, Characterization, and Antiradical Properties SO MOLECULES LA English DT Article DE antiradical activity; chromium(III) complexes; flavonoids; metal-oxo cluster; primuletin ID DERIVATIVES; ANTIOXIDANT; IRON AB A new trinuclear oxo-centered chromium(III) complex with formula [Cr3O(CH3CO2)(6)(L)(H2O)(2)] (L = 5-hydroxyflavone, known as primuletin) was synthetized and characterized by ESI mass spectrometry, thermogravimetry, and H-1-NMR, UV-Vis, and FTIR spectroscopies. In agreement with the experimental results, DFT calculations indicated that the flavonoid ligand is coordinated to one of the three Cr(III) centers in an O,O-bidentate mode through the 5-hydroxy/4-keto groups. In a comparative study involving the uncoordinated primuletin and its corresponding complex, systematic reactions with the free radical 2,2-diphenyl-1-picrylhydrazyl (DPPH) showed that antiradical activity increases upon complexation. C1 [Alexiou, Anamaria D. P.; Decandio, Carla C.; Almeida, Sabrina da N.; Romoff, Paulete] Univ Presbiteriana Mackenzie, Escola Engn, BR-01302000 Sao Paulo, SP, Brazil. [Ferreira, Marcelo J. P.] Univ Sao Paulo, Inst Biociencias, Dept Bot, BR-05508090 Sao Paulo, SP, Brazil. [Rocha, Reginaldo C.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Alexiou, ADP (reprint author), Univ Presbiteriana Mackenzie, Escola Engn, Rua Consolacao 930, BR-01302000 Sao Paulo, SP, Brazil. EM anamaria.alexiou@mackenzie.br; carla.decandio@ufabc.edu.br; sabrina-nobrega@usp.br; marcelopena@ib.usp.br; paulete.romoff@mackenzie.br; rcrocha@lanl.gov NR 21 TC 1 Z9 1 U1 4 U2 18 PU MDPI AG PI BASEL PA ST ALBAN-ANLAGE 66, CH-4052 BASEL, SWITZERLAND SN 1420-3049 J9 MOLECULES JI Molecules PD APR PY 2015 VL 20 IS 4 BP 6310 EP 6318 DI 10.3390/molecules20046310 PG 9 WC Chemistry, Organic SC Chemistry GA CI1DE UT WOS:000354480700067 PM 25867822 ER PT J AU Sofu, T AF Sofu, Tanju TI A REVIEW OF INHERENT SAFETY CHARACTERISTICS OF METAL ALLOY SODIUM-COOLED FAST REACTOR FUEL AGAINST POSTULATED ACCIDENTS SO NUCLEAR ENGINEERING AND TECHNOLOGY LA English DT Review DE Inherent safety; Metal fuel; Passive safety; SFR ID PERFORMANCE; ELEMENTS; TREAT; TESTS AB The thermal, mechanical, and neutronic performance of the metal alloy fast reactor fuel design complements the safety advantages of the liquid metal cooling and the pool-type primary system. Together, these features provide large safety margins in both normal operating modes and for a wide range of postulated accidents. In particular, they maximize the measures of safety associated with inherent reactor response to unprotected, double-fault accidents, and to minimize risk to the public and plant investment. High thermal conductivity and high gap conductance play the most significant role in safety advantages of the metallic fuel, resulting in a flatter radial temperature profile within the pin and much lower normal operation and transient temperatures in comparison to oxide fuel. Despite the big difference in melting point, both oxide and metal fuels have a relatively similar margin to melting during postulated accidents. When the metal fuel cladding fails, it typically occurs below the coolant boiling point and the damaged fuel pins remain cool-able. Metal fuel is compatible with sodium coolant, eliminating the potential of energetic fuel coolant reactions and flow blockages. All these, and the low retained heat leading to a longer grace period for operator action, are significant contributing factors to the inherently benign response of metallic fuel to postulated accidents. This paper summarizes the past analytical and experimental results obtained in past sodium-cooled fast reactor safety programs in the United States, and presents an overview of fuel safety performance as observed in laboratory and in-pile tests. Copyright (C) 2015, Published by Elsevier Korea LLC on behalf of Korean Nuclear Society. C1 Argonne Natl Lab, Argonne, IL 60439 USA. RP Sofu, T (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM tsofu@anl.gov FU Korea Atomic Energy Research Institute; U.S. Department of Energy [DE-AC02-06CH11357] FX This work was partially supported by the Korea Atomic Energy Research Institute under interagency agreement, the U.S. Department of Energy contract DE-AC02-06CH11357. NR 18 TC 6 Z9 7 U1 2 U2 9 PU KOREAN NUCLEAR SOC PI DAEJEON PA NUTOPIA BLDG, 342-1 JANGDAE-DONG, DAEJEON, 305-308, SOUTH KOREA SN 1738-5733 J9 NUCL ENG TECHNOL JI Nucl. Eng. Technol. PD APR PY 2015 VL 47 IS 3 BP 227 EP 239 DI 10.1016/j.net.2015.03.004 PG 13 WC Nuclear Science & Technology SC Nuclear Science & Technology GA CI6ZA UT WOS:000354911500001 ER PT J AU Ebert, B Rautengarten, C Guo, XY Xiong, GY Stonebloom, S Smith-Moritz, AM Herter, T Chan, LJG Adams, PD Petzold, CJ Pauly, M Willats, WGT Heazlewood, JL Scheller, HV AF Ebert, Berit Rautengarten, Carsten Guo, Xiaoyuan Xiong, Guangyan Stonebloom, Solomon Smith-Moritz, Andreia M. Herter, Thomas Chan, Leanne Jade G. Adams, Paul D. Petzold, Christopher J. Pauly, Markus Willats, William G. T. Heazlewood, Joshua L. Scheller, Henrik Vibe TI Identification and Characterization of a Golgi-Localized UDP-Xylose Transporter Family from Arabidopsis SO PLANT CELL LA English DT Article ID NUCLEOTIDE SUGAR TRANSPORTER; CELL-WALL BIOSYNTHESIS; GALACTOSE TRANSPORTER; PECTIN BIOSYNTHESIS; MONOCLONAL-ANTIBODIES; XYLAN BIOSYNTHESIS; MOLECULAR-CLONING; GENE FAMILY; THALIANA; PLANTS AB Most glycosylation reactions require activated glycosyl donors in the form of nucleotide sugars to drive processes such as posttranslational modifications and polysaccharide biosynthesis. Most plant cell wall polysaccharides are biosynthesized in the Golgi apparatus fromcytosolic-derived nucleotide sugars, which are actively transferred into the Golgi lumen by nucleotide sugar transporters (NSTs). An exception is UDP-xylose, which is biosynthesized in both the cytosol and the Golgi lumen by a family of UDP-xylose synthases. The NST-based transport of UDP-xylose into the Golgi lumen would appear to be redundant. However, employing a recently developed approach, we identified three UDP-xylose transporters in the Arabidopsis thaliana NST family and designated them UDP-XYLOSE TRANSPORTER1 (UXT1) to UXT3. All three transporters localize to the Golgi apparatus, and UXT1 also localizes to the endoplasmic reticulum. Mutants in UXT1 exhibit; 30% reduction in xylose in stem cell walls. These findings support the importance of the cytosolic UDP-xylose pool and UDP-xylose transporters in cell wall biosynthesis. C1 [Ebert, Berit; Rautengarten, Carsten; Stonebloom, Solomon; Smith-Moritz, Andreia M.; Herter, Thomas; Chan, Leanne Jade G.; Adams, Paul D.; Petzold, Christopher J.; Heazlewood, Joshua L.; Scheller, Henrik Vibe] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint BioEnergy Inst, Berkeley, CA 94720 USA. [Ebert, Berit; Rautengarten, Carsten; Stonebloom, Solomon; Smith-Moritz, Andreia M.; Herter, Thomas; Chan, Leanne Jade G.; Adams, Paul D.; Petzold, Christopher J.; Heazlewood, Joshua L.; Scheller, Henrik Vibe] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Ebert, Berit; Guo, Xiaoyuan; Willats, William G. T.] Univ Copenhagen, Fac Sci, Dept Plant & Environm Sci, DK-1871 Copenhagen C, Denmark. [Ebert, Berit; Rautengarten, Carsten; Heazlewood, Joshua L.] Univ Melbourne, Sch BioSci, ARC Ctr Excellence Plant Cell Walls, Melbourne, Vic 3010, Australia. [Xiong, Guangyan; Pauly, Markus; Scheller, Henrik Vibe] Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA. [Adams, Paul D.] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. RP Scheller, HV (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint BioEnergy Inst, Berkeley, CA 94720 USA. EM hscheller@lbl.gov RI Heazlewood, Joshua/A-2554-2008; Adams, Paul/A-1977-2013; Ebert, Berit/F-1856-2016; Pauly, Markus/B-5895-2008; Scheller, Henrik/A-8106-2008 OI Heazlewood, Joshua/0000-0002-2080-3826; Adams, Paul/0000-0001-9333-8219; Ebert, Berit/0000-0002-6914-5473; Pauly, Markus/0000-0002-3116-2198; Scheller, Henrik/0000-0002-6702-3560 FU U. S. Department of Energy, Office of Science, Office of Biological and Environmental Research [DE-AC02-05CH11231]; Australian Research Council Future Fellowship [FT130101165]; Danish Strategic Research Council [11-116795]; NSF-RCN Grant [0090281] FX This work was supported by the U. S. Department of Energy, Office of Science, Office of Biological and Environmental Research, through Contract DE-AC02-05CH11231 between the Lawrence Berkeley National Laboratory and the U. S. Department of Energy. J.L.H. is supported by an Australian Research Council Future Fellowship (FT130101165). Part of the work was supported by the Danish Strategic Research Council (Set4Future 11-116795). The substrates obtained from Carbosource Services (Athens, GA) were supported in part by NSF-RCN Grant 0090281. We thank James F. Preston (University of Florida) for the generous gift of xylanase XynC and Breeanna Urbanowicz (University of Georgia) for providing a 4-O-Me-GlcA standard. We also thank Devon Birdseye and Mi Yeon Lee for assistance with plant growth and maintenance. NR 61 TC 10 Z9 10 U1 3 U2 28 PU AMER SOC PLANT BIOLOGISTS PI ROCKVILLE PA 15501 MONONA DRIVE, ROCKVILLE, MD 20855 USA SN 1040-4651 EI 1532-298X J9 PLANT CELL JI Plant Cell PD APR PY 2015 VL 27 IS 4 BP 1218 EP 1227 DI 10.1105/tpc.114.133827 PG 10 WC Biochemistry & Molecular Biology; Plant Sciences; Cell Biology SC Biochemistry & Molecular Biology; Plant Sciences; Cell Biology GA CI5TN UT WOS:000354822800022 PM 25804536 ER PT J AU Medeiros, S Hagen, S Weishampel, J Angelo, J AF Medeiros, Stephen Hagen, Scott Weishampel, John Angelo, James TI Adjusting Lidar-Derived Digital Terrain Models in Coastal Marshes Based on Estimated Aboveground Biomass Density SO REMOTE SENSING LA English DT Article ID SEA-LEVEL RISE; ACCURACY ASSESSMENT; SALT MARSHES; WETLANDS; IMPACT; RADAR AB Digital elevation models (DEMs) derived from airborne lidar are traditionally unreliable in coastal salt marshes due to the inability of the laser to penetrate the dense grasses and reach the underlying soil. To that end, we present a novel processing methodology that uses ASTER Band 2 (visible red), an interferometric SAR (IfSAR) digital surface model, and lidar-derived canopy height to classify biomass density using both a three- class scheme (high, medium and low) and a two-class scheme (high and low). Elevation adjustments associated with these classes using both median and quartile approaches were applied to adjust lidar-derived elevation values closer to true bare earth elevation. The performance of the method was tested on 229 elevation points in the lower Apalachicola River Marsh. The two-class quartile-based adjusted DEM produced the best results, reducing the RMS error in elevation from 0.65 m to 0.40 m, a 38% improvement. The raw mean errors for the lidar DEM and the adjusted DEM were 0.61 +/- 0.24 m and 0.32 +/- 0.24 m, respectively, thereby reducing the high bias by approximately 49%. C1 [Medeiros, Stephen] Univ Cent Florida, Dept Civil Environm & Construct Engn, Orlando, FL 32816 USA. [Hagen, Scott] Louisiana State Univ, Dept Civil & Environm Engn, Ctr Computat & Technol, Baton Rouge, LA 70803 USA. [Weishampel, John] Univ Cent Florida, Dept Biol, Orlando, FL 32816 USA. [Angelo, James] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Medeiros, S (reprint author), Univ Cent Florida, Dept Civil Environm & Construct Engn, 12800 Pegasus Dr,Suite 211, Orlando, FL 32816 USA. EM Stephen.Medeiros@ucf.edu; shagen@lsu.edu; John.Weishampel@ucf.edu; jjangel@sandia.gov FU U.S. National Oceanic and Atmospheric Administration (NOAA) [NA10NOS4780146]; Louisiana Sea Grant Laborde Chair endowment FX This study is funded in part under U.S. National Oceanic and Atmospheric Administration (NOAA) Grant NA10NOS4780146 and the Louisiana Sea Grant Laborde Chair endowment. The statements, findings, conclusions, and recommendations expressed herein are those of the authors and do not necessarily reflect the views of NOAA. The authors would also like to acknowledge the guest editor of this special issue as well as the reviewers for their suggestions to improve this paper. NR 40 TC 9 Z9 9 U1 2 U2 16 PU MDPI AG PI BASEL PA POSTFACH, CH-4005 BASEL, SWITZERLAND SN 2072-4292 J9 REMOTE SENS-BASEL JI Remote Sens. PD APR PY 2015 VL 7 IS 4 BP 3507 EP 3525 DI 10.3390/rs70403507 PG 19 WC Remote Sensing SC Remote Sensing GA CI5IQ UT WOS:000354789300005 ER PT J AU Siirila-Woodburn, ER Sanchez-Vila, X Fernandez-Garcia, D AF Siirila-Woodburn, Erica R. Sanchez-Vila, Xavier Fernandez-Garcia, Daniel TI On the formation of multiple local peaks in breakthrough curves SO WATER RESOURCES RESEARCH LA English DT Article DE anomalous transport; breakthrough curve; kernel density estimator; non-Fickian; heterogeneity; high-performance computing ID ANISOTROPIC HETEROGENEOUS AQUIFERS; KINETICALLY SORBING SOLUTES; WALK PARTICLE TRACKING; FLOW TRACER TESTS; MASS-TRANSFER; GROUNDWATER-FLOW; POROUS-MEDIA; PREASYMPTOTIC TRANSPORT; HYDRAULIC CONDUCTIVITY; NUMERICAL SIMULATIONS AB The analysis of breakthrough curves (BTCs) is of interest in hydrogeology as a way to parameterize and explain processes related to anomalous transport. Classical BTCs assume the presence of a single peak in the curve, where the location and size of the peak and the slope of the receding limb has been of particular interest. As more information is incorporated into BTCs (for example, with high-frequency data collection, supercomputing efforts), it is likely that classical definitions of BTC shapes will no longer be adequate descriptors for contaminant transport problems. We contend that individual BTCs may display multiple local peaks depending on the hydrogeologic conditions and the solute travel distance. In such cases, classical definitions should be reconsidered. In this work, the presence of local peaks in BTCs is quantified from high-resolution numerical simulations in synthetic fields with a particle tracking technique and a kernel density estimator to avoid either overly jagged or smoothed curves that could mask the results. Individual BTCs from three-dimensional heterogeneous hydraulic conductivity fields with varying combinations of statistical anisotropy, heterogeneity models, and local dispersivity are assessed as a function of travel distance. The number of local peaks, their corresponding slopes, and a transport connectivity index are shown to strongly depend on statistical anisotropy and travel distance. Results show that the choice of heterogeneity model also affects the frequency of local peaks, but the slope is less sensitive to model selection. We also discuss how solute shearing and rerouting can be determined from local peak quantification. C1 [Siirila-Woodburn, Erica R.; Sanchez-Vila, Xavier; Fernandez-Garcia, Daniel] Univ Politecn Cataluna, Dept Geotech Engn & Geosci, GHS, Barcelona, Spain. RP Siirila-Woodburn, ER (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. EM erwoodburn@lbl.gov RI Siirila-Woodburn, Erica/B-6527-2015 OI Siirila-Woodburn, Erica/0000-0001-9406-124X FU Spanish Ministry of Science and Innovation SCARCE Consolider-Ingenio [CSD2009-00065]; Spanish Ministry of Science and Innovation FEAR [CGL2012-38120]; EU (MARSOL) [619120]; ICREA Academia Program FX The authors acknowledge the financial support provided by the Spanish Ministry of Science and Innovation, projects SCARCE Consolider-Ingenio 2010 (reference CSD2009-00065) and FEAR (CGL2012-38120), by the EU (project MARSOL, FP7-ENV-2013, grant 619120), and by the ICREA Academia Program. We would like to thank O. Cirpka and three anonymous reviewers, whose comments helped to improve this work. Data for this paper can be obtained by contacting the authors. NR 71 TC 2 Z9 2 U1 2 U2 11 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0043-1397 EI 1944-7973 J9 WATER RESOUR RES JI Water Resour. Res. PD APR PY 2015 VL 51 IS 4 BP 2128 EP 2152 DI 10.1002/2014WR015840 PG 25 WC Environmental Sciences; Limnology; Water Resources SC Environmental Sciences & Ecology; Marine & Freshwater Biology; Water Resources GA CI4PH UT WOS:000354733500016 ER PT J AU Reagan, MT Moridis, GJ Keen, ND Johnson, JN AF Reagan, Matthew T. Moridis, George J. Keen, Noel D. Johnson, Jeffrey N. TI Numerical simulation of the environmental impact of hydraulic fracturing of tight/shale gas reservoirs on near-surface groundwater: Background, base cases, shallow reservoirs, short-term gas, and water transport SO WATER RESOURCES RESEARCH LA English DT Article DE hydraulic fracturing; contaminant transport; shale gas ID TIGHT GAS; PENNSYLVANIA; WELLS; MIGRATION; AQUIFERS; SYSTEMS; BRINE; CONTAMINATION; EXTRACTION; FLUID AB Hydrocarbon production from unconventional resources and the use of reservoir stimulation techniques, such as hydraulic fracturing, has grown explosively over the last decade. However, concerns have arisen that reservoir stimulation creates significant environmental threats through the creation of permeable pathways connecting the stimulated reservoir with shallower freshwater aquifers, thus resulting in the contamination of potable groundwater by escaping hydrocarbons or other reservoir fluids. This study investigates, by numerical simulation, gas and water transport between a shallow tight-gas reservoir and a shallower overlying freshwater aquifer following hydraulic fracturing operations, if such a connecting pathway has been created. We focus on two general failure scenarios: (1) communication between the reservoir and aquifer via a connecting fracture or fault and (2) communication via a deteriorated, preexisting nearby well. We conclude that the key factors driving short-term transport of gas include high permeability for the connecting pathway and the overall volume of the connecting feature. Production from the reservoir is likely to mitigate release through reduction of available free gas and lowering of reservoir pressure, and not producing may increase the potential for release. We also find that hydrostatic tight-gas reservoirs are unlikely to act as a continuing source of migrating gas, as gas contained within the newly formed hydraulic fracture is the primary source for potential contamination. Such incidents of gas escape are likely to be limited in duration and scope for hydrostatic reservoirs. Reliable field and laboratory data must be acquired to constrain the factors and determine the likelihood of these outcomes. C1 [Reagan, Matthew T.; Moridis, George J.; Keen, Noel D.; Johnson, Jeffrey N.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Reagan, MT (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM mtreagan@lbl.gov RI Reagan, Matthew/D-1129-2015 OI Reagan, Matthew/0000-0001-6225-4928 FU U.S. Environmental Protection Agency's Hydraulic Fracturing Drinking Water Assessment [DW-89-92235901-C, DE-AC02-05CH11231]; Office of Science of the U.S. Department of Energy [DE-AC0205CH11231] FX This research was funded by the U.S. Environmental Protection Agency's Hydraulic Fracturing Drinking Water Assessment through Interagency Agreement between EPA (DW-89-92235901-C, Stephen Kraemer, EPA Project Officer) and the Department of Energy Lawrence Berkeley National Laboratory (DE-AC02-05CH11231). The views expressed in this article are those of the authors and do not necessarily reflect the views or policies of the EPA. This research used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the U.S. Department of Energy under contract DE-AC0205CH11231. Readers may contact the lead author (mtreagan@lbl.gov) for information about the data or TOUGH+ code licensing. The authors would like to thank the reviewers for their detailed and constructive comments and suggestions. NR 48 TC 12 Z9 12 U1 18 U2 46 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0043-1397 EI 1944-7973 J9 WATER RESOUR RES JI Water Resour. Res. PD APR PY 2015 VL 51 IS 4 BP 2543 EP 2573 DI 10.1002/2014WR016086 PG 31 WC Environmental Sciences; Limnology; Water Resources SC Environmental Sciences & Ecology; Marine & Freshwater Biology; Water Resources GA CI4PH UT WOS:000354733500038 ER PT J AU Nasrollahi, N AghaKouchak, A Cheng, LY Damberg, L Phillips, TJ Miao, CY Hsu, KL Sorooshian, S AF Nasrollahi, Nasrin AghaKouchak, Amir Cheng, Linyin Damberg, Lisa Phillips, Thomas J. Miao, Chiyuan Hsu, Kuolin Sorooshian, Soroosh TI How well do CMIP5 climate simulations replicate historical trends and patterns of meteorological droughts? SO WATER RESOURCES RESEARCH LA English DT Article DE drought; precipitation; CMIP5 ID SPACE-TIME CLIMATE; PRECIPITATION SIMULATIONS; PART I; EXTREMES; VARIABILITY; ENSEMBLE; RAINFALL; UNCERTAINTIES; TEMPERATURE; PROJECTIONS AB Assessing the uncertainties and understanding the deficiencies of climate models are fundamental to developing adaptation strategies. The objective of this study is to understand how well Coupled Model Intercomparison-Phase 5 (CMIP5) climate model simulations replicate ground-based observations of continental drought areas and their trends. The CMIP5 multimodel ensemble encompasses the Climatic Research Unit (CRU) ground-based observations of area under drought at all time steps. However, most model members overestimate the areas under extreme drought, particularly in the Southern Hemisphere (SH). Furthermore, the results show that the time series of observations and CMIP5 simulations of areas under drought exhibit more variability in the SH than in the Northern Hemisphere (NH). The trend analysis of areas under drought reveals that the observational data exhibit a significant positive trend at the significance level of 0.05 over all land areas. The observed trend is reproduced by about three-fourths of the CMIP5 models when considering total land areas in drought. While models are generally consistent with observations at a global (or hemispheric) scale, most models do not agree with observed regional drying and wetting trends. Over many regions, at most 40% of the CMIP5 models are in agreement with the trends of CRU observations. The drying/wetting trends calculated using the 3 months Standardized Precipitation Index (SPI) values show better agreement with the corresponding CRU values than with the observed annual mean precipitation rates. Pixel-scale evaluation of CMIP5 models indicates that no single model demonstrates an overall superior performance relative to the other models. C1 [Nasrollahi, Nasrin; AghaKouchak, Amir; Cheng, Linyin; Damberg, Lisa; Hsu, Kuolin; Sorooshian, Soroosh] Univ Calif Irvine, Ctr Hydrometeorol & Remote Sensing, Irvine, CA 92697 USA. [Phillips, Thomas J.] Lawrence Livermore Natl Lab, Livermore, CA USA. [Miao, Chiyuan] Beijing Normal Univ, Coll Global Change & Earth Syst Sci, Beijing 100875, Peoples R China. RP Nasrollahi, N (reprint author), Univ Calif Irvine, Ctr Hydrometeorol & Remote Sensing, Irvine, CA 92697 USA. EM nasrin.n@uci.edu RI sorooshian, soroosh/B-3753-2008 OI sorooshian, soroosh/0000-0001-7774-5113 FU U.S. Army Research Office [W911NF-11-1-0422]; NOAA NCDC [NA09NES4400006]; NOAA NCDC (NCSU CICS Sub-Award) [2009-1380-01]; National Aeronautics and Space Administration (NASA) [NNX15AC27G]; National Science Foundation [EAR-1316536] FX This study is supported by the U.S. Army Research Office award W911NF-11-1-0422, the NOAA NCDC (Award NA09NES4400006, NCSU CICS Sub-Award 2009-1380-01), the National Aeronautics and Space Administration (NASA) award NNX15AC27G and the National Science Foundation award EAR-1316536. We acknowledge the World Climate Research Programme's Working Group on Coupled Modeling, which is responsible for CMIP, and we thank the climate-modeling groups for producing and making available their model output. For CMIP, the U.S. Department of Energy's Program for Climate Model Diagnosis and Intercomparison provides coordinating support and leads the development of software infrastructure in partnership with the Global Organization for Earth System Science Portals. The CMIP5 data used in this study are available to public from http://cmip-pcmdi.llnl.gov/cmip5/data_portal.html. NR 65 TC 7 Z9 7 U1 5 U2 28 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0043-1397 EI 1944-7973 J9 WATER RESOUR RES JI Water Resour. Res. PD APR PY 2015 VL 51 IS 4 BP 2847 EP 2864 DI 10.1002/2014WR016318 PG 18 WC Environmental Sciences; Limnology; Water Resources SC Environmental Sciences & Ecology; Marine & Freshwater Biology; Water Resources GA CI4PH UT WOS:000354733500055 ER PT J AU Phillips, CL McFarlane, KJ LaFranchi, B Desai, AR Miller, JB Lehman, SJ AF Phillips, Claire L. McFarlane, Karis J. LaFranchi, Brian Desai, Ankur R. Miller, John B. Lehman, Scott J. TI Observations of (CO2)-C-14 in ecosystem respiration from a temperate deciduous forest in Northern Wisconsin SO JOURNAL OF GEOPHYSICAL RESEARCH-BIOGEOSCIENCES LA English DT Article DE radiocarbon; Keeling plot; AmeriFlux; respiration ID CARBON-CYCLE RESEARCH; SOIL ORGANIC-CARBON; SEASONAL DYNAMICS; ATMOSPHERIC CO2; BOREAL FOREST; RADIOCARBON; EXCHANGE; UNCERTAINTY; DIOXIDE; C-14 AB The (CO2)-C-14 composition of plant and soil respiration can be used to determine the residence time of photosynthetically fixed carbon before it is released back to the atmosphere. To estimate the residence time of actively cycled carbon in a temperate forest, we employed two approaches for estimating the (CO2)-C-14 of ecosystem respiration (C-14-R-eco) at the Willow Creek AmeriFlux site in Northern Wisconsin, USA. Our first approach was to construct nighttime Keeling plots from subcanopy profiles of (CO2)-C-14 and CO2, providing estimates of C-14-R-eco of 121.7 in June and 42.0 in August 2012. These measurements are likely dominated by soil fluxes due to proximity to the ground level. Our second approach utilized samples taken over 20months within the forest canopy and from 396m above ground level at the nearby LEF NOAA tall tower site (Park Falls, WI). In this canopy-minus-background approach we employed a mixing model described by Miller and Tans (2003) for estimating isotopic sources by subtracting time-varying background conditions. For the period from May 2011 to December 2012 the estimated C-14-R-eco using the Miller-Tans model was 76.8. Together, these C-14-R-eco values represent mean R-eco carbon ages of approximately 1-19 years. We also found that heterotrophic soil-respired C-14 at Willow Creek was 5-38 higher (i.e., 1-10 years older) than predicted by the Carnegie-Ames-Stanford Approach global biosphere carbon model for the 1x1pixel nearest to the site. This study provides much needed observational constraints of ecosystem carbon residence times, which are a major source of uncertainty in terrestrial carbon cycle models. C1 [Phillips, Claire L.] Oregon State Univ, Dept Crops & Soil Sci, Corvallis, OR 97331 USA. [McFarlane, Karis J.; LaFranchi, Brian] Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry, Livermore, CA 94550 USA. [Desai, Ankur R.] Univ Wisconsin, Dept Atmospher & Ocean Sci, Madison, WI USA. [Miller, John B.] NOAA, Global Monitoring Div, Earth Syst Res Lab, Boulder, CO USA. [Miller, John B.] Univ Colorado, CIRES, Boulder, CO 80309 USA. [Lehman, Scott J.] Univ Colorado, INSTAAR, Boulder, CO 80309 USA. RP Phillips, CL (reprint author), Oregon State Univ, Dept Crops & Soil Sci, Corvallis, OR 97331 USA. EM Claire.Phillips@oregonstate.edu OI McFarlane, Karis/0000-0001-6390-7863 FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Lawrence Livermore National Laboratory (LDRD) [11-ERD-053]; Wisconsin Focus on Energy Environmental and Economic Research and Development (EERD) [10-06]; DOE Ameriflux Network Management Project [LLNL-JRNL-637140] FX Field assistance was provided by J. Thom (UW) and D. Baumann (USGS), analytical assistance was provided by T. Guilderson (CAMS), and laboratory assistance was provided by P. Zermeno (CAMS). This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344, with support from Lawrence Livermore National Laboratory (LDRD 11-ERD-053), the Wisconsin Focus on Energy Environmental and Economic Research and Development (EERD) grant 10-06, and the DOE Ameriflux Network Management Project subcontract for the ChEAS core site cluster, LLNL-JRNL-637140. The US-WCR flux and isotope data are available for download at http://flux.aos.wisc.edu/twiki/bin/view/Main/ChEASData, and LEF flask data are available at http://www.esrl.noaa.gov/gmd/dv/iadv/graph.php?code=LEF&program=ccgg&typ e=ts. NR 64 TC 1 Z9 1 U1 2 U2 33 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-8953 EI 2169-8961 J9 J GEOPHYS RES-BIOGEO JI J. Geophys. Res.-Biogeosci. PD APR PY 2015 VL 120 IS 4 BP 600 EP 616 DI 10.1002/2014JG002808 PG 17 WC Environmental Sciences; Geosciences, Multidisciplinary SC Environmental Sciences & Ecology; Geology GA CI2EQ UT WOS:000354558200002 ER PT J AU Wainwright, HM Dafflon, B Smith, LJ Hahn, MS Curtis, JB Wu, YX Ulrich, C Peterson, JE Torn, MS Hubbard, SS AF Wainwright, Haruko M. Dafflon, Baptiste Smith, Lydia J. Hahn, Melanie S. Curtis, John B. Wu, Yuxin Ulrich, Craig Peterson, John E. Torn, Margaret S. Hubbard, Susan S. TI Identifying multiscale zonation and assessing the relative importance of polygon geomorphology on carbon fluxes in an Arctic tundra ecosystem SO JOURNAL OF GEOPHYSICAL RESEARCH-BIOGEOSCIENCES LA English DT Article DE permafrost; polygonal ground; zonation; carbon flux; geophysics; remote sensing ID THAW-LAKE BASINS; METHANE EMISSION; NORTHERN ALASKA; CLIMATE-CHANGE; COASTAL-PLAIN; CO2 FLUXES; ICE WEDGES; VEGETATION; PERMAFROST; PATTERNS AB We develop a multiscale zonation approach to characterize the spatial variability of Arctic polygonal ground geomorphology and to assess the relative controls of these elements on land surface and subsurface properties and carbon fluxes. Working within an ice wedge polygonal region near Barrow, Alaska, we consider two scales of zonation: polygon features (troughs, centers, and rims of polygons) that are nested within different polygon types (high, flat, and low centered). In this study, we first delineated polygons using a digital elevation map and clustered the polygons into four types along two transects, using geophysical and kite-based landscape-imaging data sets. We extrapolated those data-defined polygon types to all the polygons over the study site, using the polygon statistics extracted from the digital elevation map. Based on the point measurements, we characterized the distribution of vegetation, hydrological, thermal, and geochemical properties, as well as carbon fluxes, all as a function of polygon types and polygon features. Results show that nested polygon geomorphic zonationpolygon types and polygon featurescan be used to represent distinct distributions of carbon fluxes and associated properties, as well as covariability among those properties. Importantly, the results indicate that polygon types have more power to explain the variations in those properties than polygon features. The approach is expected to be useful for improved system understanding, site characterization, and parameterization of numerical models aimed at predicting ecosystem feedbacks to the climate. C1 [Wainwright, Haruko M.; Dafflon, Baptiste; Curtis, John B.; Wu, Yuxin; Ulrich, Craig; Peterson, John E.; Torn, Margaret S.; Hubbard, Susan S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Smith, Lydia J.] Univ Calif Berkeley, Energy & Resources Grp, Berkeley, CA 94720 USA. [Hahn, Melanie S.] Univ Calif Berkeley, Civil & Environm Engn, Berkeley, CA 94720 USA. RP Wainwright, HM (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. EM hmwainwright@lbl.gov RI Wu, Yuxin/G-1630-2012; Dafflon, Baptiste/G-2441-2015; Hubbard, Susan/E-9508-2010; Wainwright, Haruko/A-5670-2015; Torn, Margaret/D-2305-2015; Vaughn, Lydia/I-9108-2016 OI Wu, Yuxin/0000-0002-6953-0179; Wainwright, Haruko/0000-0002-2140-6072; Vaughn, Lydia/0000-0001-9337-464X FU Office of Biological and Environmental Research in the DOE Office of Science; U.S. Department of Energy [DE-AC02-05CH11231]; U.S. Government; [DE-AC0205CH11231] FX The Next-Generation Ecosystem Experiments (NGEE Arctic) project is supported by the Office of Biological and Environmental Research in the DOE Office of Science. This NGEE Arctic research is supported through contract number DE-AC0205CH11231 to Lawrence Berkeley National Laboratory. We gratefully acknowledge Stan Wullschleger in Oak Ridge National Laboratory, project PI. We thank Craig Tweedie at the University of Texas, El Paso, for providing the lidar data set and together with Sergio Vargas from the University of Texas, El Paso, for providing kite-based landscape-imaging advice. We also thank the Editor, Associated Editor, and two reviewers for constructive comments. Data sets are available upon request by contacting the corresponding author (Haruko M. Wainwright, hmwainwright@lbl.gov). This manuscript has been authored by an author at Lawrence Berkeley National Laboratory under Contract No. DE-AC02-05CH11231 with the U.S. Department of Energy. The U.S Government retains, and the publisher, by accepting the article of publication, acknowledges, that the U.S. Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for U.S. Government purposes. NR 61 TC 10 Z9 10 U1 7 U2 43 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-8953 EI 2169-8961 J9 J GEOPHYS RES-BIOGEO JI J. Geophys. Res.-Biogeosci. PD APR PY 2015 VL 120 IS 4 BP 788 EP 808 DI 10.1002/2014JG002799 PG 21 WC Environmental Sciences; Geosciences, Multidisciplinary SC Environmental Sciences & Ecology; Geology GA CI2EQ UT WOS:000354558200013 ER PT J AU Rinehart, AJ Bishop, JE Dewers, T AF Rinehart, Alex J. Bishop, Joseph E. Dewers, Thomas TI Fracture propagation in Indiana Limestone interpreted via linear softening cohesive fracture model SO JOURNAL OF GEOPHYSICAL RESEARCH-SOLID EARTH LA English DT Article DE cohesive fracture; experimental fracture mechanics; Indiana Limestone; geometric effects ID PLASTIC-DEFORMATION; HYDRAULIC FRACTURE; TENSILE FRACTURE; PROCESS ZONE; CONCRETE; ROCKS; DAMAGE; COMPRESSION; SPECIMENS; PRESSURE AB We examine the use of a linear softening cohesive fracture model (LCFM) to predict single-trace fracture growth in short-rod (SR) and notched 3-point-bend (N3PB) test configurations in Indiana Limestone. The broad goal of this work is to (a) understand the underlying assumptions of LCFM and (b) use experimental similarities and deviations from the LCFM to understand the role of loading paths of tensile fracture propagation. Cohesive fracture models are being applied in prediction of structural and subsurface fracture propagation in geomaterials. They lump the inelastic processes occurring during fracture propagation into a thin zone between elastic subdomains. LCFM assumes that the cohesive zone initially deforms elastically to a maximum tensile stress (sigma(max)) and then softens linearly from the crack opening width at sigma(max) to zero stress at a critical crack opening width w(1). Using commercial finite element software, we developed LCFMs for the SR and N3PB configurations. After fixing sigma(max) with results from cylinder splitting tests and finding an initial Young's modulus (E) with unconfined compressive strength tests, we manually calibrate E and w(1) in the SR model against an envelope of experimental data. We apply the calibrated LCFM parameters in the N3PB geometry and compare the model against an envelope of N3PB experiments. For accurate simulation of fracture propagation, simulated off-crack stresses are high enough to require inclusion of damage. Different elastic moduli are needed in tension and compression. We hypothesize that the timing and location of shear versus extensional micromechanical failures control the qualitative macroscopic force-versus-displacement response in different tests. For accurate prediction, the LCFM requires a constant style of failure, which the SR configuration maintains until very late in deformation. The N3PB configuration does not maintain this constancy. To be broadly applicable between geometries and failure styles, the LCFM would require additional physics, possibly including elastoplastic damage in the bulk material and more complicated cohesive softening models. C1 [Rinehart, Alex J.] New Mexico Inst Min & Technol, Earth & Environm Sci Dept, Socorro, NM 87801 USA. [Rinehart, Alex J.; Dewers, Thomas] Sandia Natl Labs, Geomech Dept, Albuquerque, NM 87185 USA. [Bishop, Joseph E.] Sandia Natl Labs, Solid Mech Dept, Albuquerque, NM 87185 USA. RP Rinehart, AJ (reprint author), New Mexico Inst Min & Technol, New Mexico Bur Geol, Socorro, NM 87801 USA. EM arinehart@nmbg.nmt.edu FU Center for Frontiers of Subsurface Energy Security; Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0001114]; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX We thank Alexander Urquhart for his work during initial SR testing, Greg Flint for his support during the N3PB testing, and Scott Broome for his general experimental advice regarding fixturing and frame stiffness. Also, we would like to thank Glenn Spinelli for his comments on an earlier version of the manuscript. This manuscript greatly benefited from the careful and enthusiastic reviews of two anonymous reviewers. For access to data and input files, please contact the corresponding author Alex Rinehart at arinehart@nmbg.nmt.edu. This material is based upon the work supported as part of the Center for Frontiers of Subsurface Energy Security, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under award DE-SC0001114. Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 51 TC 3 Z9 3 U1 2 U2 20 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-9313 EI 2169-9356 J9 J GEOPHYS RES-SOL EA JI J. Geophys. Res.-Solid Earth PD APR PY 2015 VL 120 IS 4 BP 2292 EP 2308 DI 10.1002/2014JB011624 PG 17 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA CI2GI UT WOS:000354563200015 ER PT J AU Zhang, WK Gaffney, KJ AF Zhang, Wenkai Gaffney, Kelly J. TI Mechanistic Studies of Photoinduced Spin Crossover and Electron Transfer in Inorganic Complexes SO ACCOUNTS OF CHEMICAL RESEARCH LA English DT Review ID TRANSITION-METAL-COMPLEXES; RAY-EMISSION SPECTROSCOPY; CHARGE-TRANSFER STATES; TRANSIENT ABSORPTION; ENERGY-TRANSFER; STRUCTURAL DYNAMICS; CHEMICAL-REACTIONS; EXCITED-STATES; IRON(II); TIME AB Electronic excited-state phenomena provide a compelling intersection of fundamental and applied research interests in the chemical sciences. This holds true for coordination chemistry, where harnessing the strong optical absorption and photocatalytic activity of compounds depends on our ability to control fundamental physical and chemical phenomena associated with the nonadiabatic dynamics of electronic excited states. The central events of excited-state chemistry can critically influence the dynamics of electronic excited states, including internal conversion (transitions between distinct electronic states) and intersystem crossing (transitions between electronic states with different spin multiplicities), events governed by nonadiabatic interactions between electronic states in close proximity to conical intersections, as well as solvation and electron transfer. The diversity of electronic and nuclear dynamics also makes the robust interpretation of experimental measurements challenging. Developments in theory, simulation, and experiment can all help address the interpretation and understanding of chemical dynamics in organometallic and coordination chemistry. Synthesis presents the opportunity to chemically engineer the strength and symmetry of the metal-ligand interactions. This chemical control can be exploited to understand the influence of electronic ground state properties on electronic excited-state dynamics. New time-resolved experimental methods and the insightful exploitation of established methods have an important role in understanding, and ideally controlling, the photophysics and photochemistry of transition metal complexes. Techniques that can disentangle the coupled motion of electrons and nuclear dynamics warrant emphasis. We present a review of electron localization dynamics in charge transfer excited states and the dynamics of photoinitiated spin crossover dynamics. Both electron localization and spin crossover have been investigated by numerous research groups with femtosecond resolution spectroscopy, but challenges in experimental interpretation have left significant uncertainty about the molecular properties that control these phenomena. Our Account will emphasize how tailoring the experimental probe, femtosecond resolution vibrational anisotropy for electron localization, and femtosecond resolution hard X-ray fluorescence for spin crossover can make a significant impact on the interpretability of experimental measurements. The emphasis on thorough and robust interpretation has also led to an emphasis on simpler molecular systems. This enables iteration between experiment and theory, a requirement for the development of a more predictive understanding of electronic excited-state phenomena and an essential step to the development of design rules for solar materials. C1 [Zhang, Wenkai] Univ Penn, Dept Chem, Philadelphia, PA 19104 USA. [Gaffney, Kelly J.] Stanford Univ, Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. [Gaffney, Kelly J.] Stanford Univ, PULSE Inst, SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA. RP Gaffney, KJ (reprint author), Stanford Univ, Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. EM kgaffney@slac.stanford.edu RI Zhang, Wenkai/H-1301-2012 FU AMOS program within the Chemical Sciences, Geosciences, and Biosciences Division of the Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy FX The authors thank the numerous collaborators that contributed to the work in this Account and acknowledge support from the AMOS program within the Chemical Sciences, Geosciences, and Biosciences Division of the Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy. NR 71 TC 14 Z9 14 U1 15 U2 112 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0001-4842 EI 1520-4898 J9 ACCOUNTS CHEM RES JI Accounts Chem. Res. PD APR PY 2015 VL 48 IS 4 BP 1140 EP 1148 DI 10.1021/ar500407p PG 9 WC Chemistry, Multidisciplinary SC Chemistry GA CG6RH UT WOS:000353429400025 PM 25789406 ER PT J AU Jha, M Seshadhri, C Pinar, A AF Jha, Madhav Seshadhri, C. Pinar, Ali TI A Space-Efficient Streaming Algorithm for Estimating Transitivity and Triangle Counts Using the Birthday Paradox SO ACM TRANSACTIONS ON KNOWLEDGE DISCOVERY FROM DATA LA English DT Article DE Algorithms; Theory; Triangle counting; streaming graphs; clustering coefficient; transitivity; birthday paradox; streaming algorithms ID GRAPHS; MAPREDUCE; RESERVOIR; NETWORKS; WORLD AB We design a space-efficient algorithm that approximates the transitivity (global clustering coefficient) and total triangle count with only a single pass through a graph given as a stream of edges. Our procedure is based on the classic probabilistic result, the birthday paradox. When the transitivity is constant and there are more edges than wedges (common properties for social networks), we can prove that our algorithm requires O(root n) space (n is the number of vertices) to provide accurate estimates. We run a detailed set of experiments on a variety of real graphs and demonstrate that the memory requirement of the algorithm is a tiny fraction of the graph. For example, even for a graph with 200 million edges, our algorithm stores just 40,000 edges to give accurate results. Being a single pass streaming algorithm, our procedure also maintains a real-time estimate of the transitivity/number of triangles of a graph by storing a minuscule fraction of edges. C1 [Jha, Madhav; Seshadhri, C.; Pinar, Ali] Sandia Natl Labs, Livermore, CA 94550 USA. RP Jha, M (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. EM mjha@sandia.gov; scomand@sandia.gov; apinar@sandia.gov FU GRAPHS program under DARPA; U.S. Department of Energy's Mathematics for Complex, Distributed, Interconnected Systems Project; Sandia's Laboratory Directed Research and Development (LDRD) program; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was funded by the GRAPHS program under DARPA, the U.S. Department of Energy's Mathematics for Complex, Distributed, Interconnected Systems Project, and Sandia's Laboratory Directed Research and Development (LDRD) program. Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 49 TC 7 Z9 7 U1 1 U2 3 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 2 PENN PLAZA, STE 701, NEW YORK, NY 10121-0701 USA SN 1556-4681 EI 1556-472X J9 ACM T KNOWL DISCOV D JI ACM Trans. Knowl. Discov. Data PD APR PY 2015 VL 9 IS 3 SI SI AR 15 DI 10.1145/2700395 PG 21 WC Computer Science, Information Systems; Computer Science, Software Engineering SC Computer Science GA CH5DA UT WOS:000354053500002 ER PT J AU He, Q Woo, J Belianinov, A Guliants, VV Borisevich, AY AF He, Qian Woo, Jungwon Belianinov, Alexei Guliants, Vadim V. Borisevich, Albina Y. TI Better Catalysts through Microscopy: Mesoscale M1/M2 Intergrowth in Molybdenum-Vanadium Based Complex Oxide Catalysts for Propane Ammoxidation SO ACS NANO LA English DT Article DE heterogeneous catalyst; aberration corrected STEM; propane ammoxidation; complex oxide ID SELECTIVE OXIDATION CATALYSTS; ORTHORHOMBIC M1 PHASE; ACTIVE-CENTERS; ACRYLIC-ACID; METAL-OXIDES; HAADF-STEM; MO; M2; DEHYDROGENATION; ETHANE AB In recent decades, catalysis research has transformed from the predominantly empirical field to one where it is possible to control the catalytic properties via characterization and modification of the atomic-scale active centers. Many phenomena in catalysis, such as synergistic effect, however, transcend the atomic scale and also require the knowledge and control of the mesoscale structure of the specimen to harness. In this paper, we use our discovery of atomic-scale epitaxial interfaces in molybdenum vanadium based complex oxide catalysts systems (i.e., Mo-V-M-O, M = Ta, To, Sb, Nb, etc.) to achieve control of the mesoscale structure of this complex mixture of very different active phases. We can now achieve true epitaxial intergrowth between the catalytically critical M1 and M2 phases in the system that are hypothesized to have synergistic interactions, and demonstrate that the resulting catalyst has improved selectivity in the initial studies. Finally, we highlight the crucial role atomic scale characterization and mesoscale structure control play in uncovering the complex underpinnings of the synergistic effect in catalysis. C1 [He, Qian; Borisevich, Albina Y.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Woo, Jungwon; Guliants, Vadim V.] Univ Cincinnati, Sch Energy Environm Biol & Med Engn, Cincinnati, OH 45221 USA. [Belianinov, Alexei; Borisevich, Albina Y.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Belianinov, Alexei] Oak Ridge Natl Lab, Inst Funct Imaging Mat, Oak Ridge, TN 37831 USA. RP He, Q (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. EM heqian.lehigh@gmail.com; Vadim.Guliants@UC.EDU; albinab@ornl.gov RI Borisevich, Albina/B-1624-2009; He, Qian/J-1277-2014 OI Borisevich, Albina/0000-0002-3953-8460; NR 41 TC 10 Z9 10 U1 8 U2 49 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1936-0851 EI 1936-086X J9 ACS NANO JI ACS Nano PD APR PY 2015 VL 9 IS 4 BP 3470 EP 3478 DI 10.1021/acsnano.5b00271 PG 9 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA CH2PL UT WOS:000353867000010 PM 25744246 ER PT J AU Lee, H Lee, HBR Kwon, S Salmeron, M Park, JY AF Lee, Hyunsoo Lee, Han-Bo-Ram Kwon, Sangku Salmeron, Miquel Park, Jeong Young TI Internal and External Atomic Steps in Graphite Exhibit Dramatically Different Physical and Chemical Properties SO ACS NANO LA English DT Article DE highly oriented pyrolytic graphite; surface reactivity; external and internal step edges; frictional force microscopy; atomic layer deposition ID ORIENTED PYROLYTIC-GRAPHITE; AG ALLOY NANOWIRES; FORCE MICROSCOPY; LAYER DEPOSITION; EDGE DECORATION; GRAPHENE; ELECTRODEPOSITION; NANOPARTICLES; CALIBRATION; FRICTION AB We report on the physical and chemical properties of atomic steps on the surface of highly oriented pyrolytic graphite (HOPS) investigated using atomic force microscopy. Two types of step edges are identified: internal (formed during crystal growth) and external (formed by mechanical cleavage of bulk HOPS). The external steps exhibit higher friction than the internal steps due to the broken bonds of the exposed edge C atoms, while carbon atoms in the internal steps are not exposed. The reactivity of the atomic steps is manifested in a variety of ways, including the preferential attachment of Pt nanoparticles deposited on HOPS when using atomic layer deposition and KOH clusters formed during drop casting from aqueous solutions. These phenomena imply that only external atomic steps can be used for selective electrodeposition for nanoscale electronic devices. C1 [Lee, Hyunsoo; Kwon, Sangku; Park, Jeong Young] Inst for Basic Sci Korea, Ctr Nanomat & Chem React, Taejon 305701, South Korea. [Lee, Hyunsoo; Kwon, Sangku; Park, Jeong Young] Korea Adv Inst Sci & Technol, Grad Sch EEWS, Taejon 305701, South Korea. [Lee, Han-Bo-Ram] Incheon Natl Univ, Dept Mat Sci & Engn, Inchon 406772, South Korea. [Salmeron, Miquel] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Salmeron, M (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM mbsalmeron@lbl.gov; jeongypark@kaist.ac.kr RI Park, Jeong Young/A-2999-2008; Lee, Han-Bo-Ram/E-8879-2012 OI Lee, Han-Bo-Ram/0000-0002-0097-6738 FU Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, U.S. Department of Energy [DE-AC02-05CH11231]; [IBS-R004-G4] FX This work was supported by IBS-R004-G4. M.S. was supported by the "Chemical and Mechanical Properties of Surfaces, Interfaces and Nanostructures" program, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, U.S. Department of Energy, under Contract No. DE-AC02-05CH11231. NR 44 TC 6 Z9 6 U1 4 U2 30 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1936-0851 EI 1936-086X J9 ACS NANO JI ACS Nano PD APR PY 2015 VL 9 IS 4 BP 3814 EP 3819 DI 10.1021/nn506755p PG 6 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA CH2PL UT WOS:000353867000042 PM 25817095 ER PT J AU Majewski, PW Yager, KG AF Majewski, Pawel W. Yager, Kevin G. TI Millisecond Ordering of Block Copolymer Films via Photothermal Gradients SO ACS NANO LA English DT Article DE laser zone annealing; block copolymers; directed self-assembly; coarsening kinetics; thermophoresis ID SINGLE-LAYER FILMS; THIN-FILMS; DIBLOCK COPOLYMER; PERPENDICULAR ORIENTATION; TEMPERATURE-GRADIENT; DISORDER TRANSITION; ALIGNMENT; SHEAR; MICRODOMAIN; PATTERNS AB For the promise of self-assembly to be realized, processing techniques must be developed that simultaneously enable control of the nanoscale morphology, rapid assembly, and, ideally, the ability to pattern the nanostructure. Here, we demonstrate how photothermal gradients can be used to control the ordering of block Copolymer thin films. Highly localized laser heating leads to intense thermal gradients, which induce a thermophoretic force on morphological defects. This increases the ordering kinetics by at least 3 orders of magnitude compared to conventional oven annealing. By simultaneously exploiting the thermal gradients to induce shear fields, we demonstrate uniaxial alignment of a block copolymer film in less than a second. Finally, we provide examples of how control of the incident light field can be used to generate prescribed configurations of block copolymer nanoscale patterns. C1 [Majewski, Pawel W.; Yager, Kevin G.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Yager, KG (reprint author), Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. EM kyager@bnl.gov RI Yager, Kevin/F-9804-2011 OI Yager, Kevin/0000-0001-7745-2513 FU U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886] FX Research was carried out at the Center for Functional Nanomaterials and the National Synchrotron Light Source, Brookhaven National Laboratory, which are supported by the U.S. Department of Energy, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. NR 55 TC 27 Z9 27 U1 7 U2 62 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1936-0851 EI 1936-086X J9 ACS NANO JI ACS Nano PD APR PY 2015 VL 9 IS 4 BP 3896 EP 3906 DI 10.1021/nn5071827 PG 11 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA CH2PL UT WOS:000353867000051 PM 25763534 ER PT J AU Kornienko, N Whitmore, DD Yu, Y Leone, SR Yang, PD AF Kornienko, Nikolay Whitmore, Desire D. Yu, Yi Leone, Stephen R. Yang, Peidong TI Solution Phase Synthesis of Indium Gallium Phosphide Alloy Nanowires SO ACS NANO LA English DT Article DE nanowire; alloy; solution phase synthesis ID LIQUID-SOLID SYNTHESIS; MOLECULAR-BEAM EPITAXY; HYDROGEN-PRODUCTION; RAMAN-SCATTERING; IN1-XGAXP ALLOYS; SURFACTANT-FREE; INP NANOWIRES; GROWTH; GAP; GAINP AB The tunable physical and electronic structure of III-V semiconductor alloys renders them uniquely useful for a variety of applications, including biological imaging, transistors, and solar energy conversion. However, their fabrication typically requires complex gas phase instrumentation or growth from high-temperature melts, which consequently limits their prospects for widespread implementation. Furthermore, the need for lattice matched growth substrates in many cases confines the composition of the materials to a narrow range that can be epitaxially grown. In this work, we present a solution phase synthesis for indium gallium phosphide (InxGa1-xP) alloy nanowires, whose indium/gallium ratio, and consequently, physical and electronic structure, can be tuned across the entire x= 0 to x = 1 composition range. We demonstrate the evolution of structural and optical properties of the nanowires, notably the direct to indirect band gap transition, as the composition is varied from InP to GaP. Our scalable, low-temperature synthesis affords compositional, structural, and electronic tunability and can provide a route for realization of broader InxGa1-xP applications. C1 [Kornienko, Nikolay; Whitmore, Desire D.; Yu, Yi; Leone, Stephen R.; Yang, Peidong] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Leone, Stephen R.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Yang, Peidong] Univ Calif Berkeley, Dept Mat Sci Engn, Berkeley, CA 94720 USA. [Leone, Stephen R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Yang, Peidong] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Yang, Peidong] Kavli Energy Nanosci Inst, Berkeley, CA 94720 USA. RP Yang, PD (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM p_yang@berkeley.edu RI Foundry, Molecular/G-9968-2014 FU Office of Science, Office of Basic Energy Sciences of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by the Office of Science, Office of Basic Energy Sciences of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231 (PChem). Electron microscopy was performed at NCEM, which is supported by the Office of Science, Office of Basic Energy Sciences of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 71 TC 11 Z9 11 U1 12 U2 66 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1936-0851 EI 1936-086X J9 ACS NANO JI ACS Nano PD APR PY 2015 VL 9 IS 4 BP 3951 EP 3960 DI 10.1021/nn507335j PG 10 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA CH2PL UT WOS:000353867000057 PM 25839336 ER PT J AU Ji, ZQ Doorn, SK Sykora, M AF Ji, Zhiqiang Doorn, Stephen K. Sykora, Milan TI Electrochromic Graphene Molecules SO ACS NANO LA English DT Article DE graphene molecule; nanographene; graphene; graphene quantum dot; electrochemistry; spectro-electrochemistry; electrochromism ID QUANTUM DOTS; AROMATIC-HYDROCARBONS; RADICAL CATIONS; NANORIBBONS; FILMS AB Polyclic aromatic hydrocarbons also called Graphene Molecules (GMs), with chemical composition C132H36(COOH)(2) were synthesized in situ on the surface of transparent nanocrystalline indium tin oxide (nc-ITO) electrodes and their electronic structure was studied electrochemically and spectro-electrochemically. Variations in the potential applied onto the nc-ITO/GM electrodes induce only small changes in the observed current, but they produce dramatic changes in the absorption of the GMs, which are associated with their oxidation and reduction. Analysis of the absorption changes using a modified Nernst equation is used to determine standard potentials associated with the individual charge transfer processes. For the GMs prepared here, these were found to be E-1,ox(0) = 0.77 +/- 0.01 V and E-2,ox(0) = 1.24 +/- 0.02 V vs NHE for the first and second oxidation and E-1,red(0) = -1.50 +/- 0.04 V for the first reduction. The charge transfer processes are found to be nonideal. The nonideality factors associated with the oxidation and reduction processes are attributed to strong interactions between the GM redox centers. Under the conditions of potential cycling, GMs show rapid (seconds) color change with high contrast and stability. An electrochromic application is demonstrated wherein the GMs are used as the optically active component. C1 [Ji, Zhiqiang; Sykora, Milan] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Div Chem, Los Alamos, NM 87545 USA. [Doorn, Stephen K.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Applicat Div, Mat Phys, Los Alamos, NM 87545 USA. RP Sykora, M (reprint author), Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Div Chem, POB 1663, Los Alamos, NM 87545 USA. EM sykoram@lanl.gov FU Los Alamos National Laboratory Directed Research and Development (LDRD) program FX Z.J., S.K.D, and M.S. acknowledge the financial support by the Los Alamos National Laboratory Directed Research and Development (LDRD) program. This work was performed in part at the Center for Integrated Nanotechnologies, a U.S. Department of Energy, Office of Basic Energy Sciences user facility. We thank Dr. Cortney Kreller for the assistance with nc-ITO film preparation. NR 33 TC 4 Z9 5 U1 17 U2 92 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1936-0851 EI 1936-086X J9 ACS NANO JI ACS Nano PD APR PY 2015 VL 9 IS 4 BP 4043 EP 4049 DI 10.1021/acsnano.5b00093 PG 7 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA CH2PL UT WOS:000353867000067 PM 25768313 ER PT J AU Kwak, WJ Lau, KC Shin, CD Amine, K Curtiss, LA Sun, YK AF Kwak, Won-Jin Lau, Kah Chun Shin, Chang-Dae Amine, Khalil Curtiss, Larry A. Sun, Yang-Kook TI A Mo2C/Carbon Nanotube Composite Cathode for Lithium-Oxygen Batteries with High Energy Efficiency and Long Cycle Life SO ACS NANO LA English DT Article DE lithium oxygen batteries; nanostructures; molybdenum carbide nanoparticles; carbon nanotube; oxygen evolution reaction ID RECHARGEABLE LI-O-2 BATTERIES; CARBON NANOTUBES; CATALYST; ELECTRODE; LI2O2 AB Although lithium oxygen batteries are attracting considerable attention because of the potential for an extremely high energy density, their practical use has been restricted owing to a low energy efficiency and poor cycle life compared to lithium-ion batteries. Here we present a nanostructured cathode based on molybdenum carbide nanoparticles (Mo2C) dispersed on carbon nanotubes, which dramatically increase the electrical efficiency up to 88% with a cycle life of more than 100 cycles. We found that the Mo2C nanoparticle catalysts contribute to the formation of well-dispersed lithium peroxide nanolayers (Li2O2) on the Mo2C/carbon nanotubes with a large contact area during the oxygen reduction reaction (ORR). This Li2O2 structure can be decomposed at low potential upon the oxygen evolution reaction (OER) by avoiding the energy loss associated with the decomposition of the typical Li2O2 discharge products. C1 [Kwak, Won-Jin; Shin, Chang-Dae; Sun, Yang-Kook] Hanyang Univ, Dept Energy Engn, Seoul 133791, South Korea. [Lau, Kah Chun; Curtiss, Larry A.] Argonne Natl Lab, Div Mat Sci, Lemont, IL 60439 USA. [Amine, Khalil] Argonne Natl Lab, Chem Sci & Engn Div, Lemont, IL 60439 USA. RP Curtiss, LA (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Lemont, IL 60439 USA. EM curtiss@anl.gov; yksun@hanyang.ac.kr FU Human Resources Development program of the Korea Institute of Energy Technology Evaluation and Planning (KETEP) - Korea government Ministry of Trade, Industry and Energy [20124010203310]; Global Frontier R&D Program of the Center for Hybrid Interface Materials (HIM) - Ministry of Science, ICT & Future Planning [2013M3A6B1078875]; U.S. Department of Energy from Vehicle Technologies Office, Department of Energy, Office of Energy Efficiency and Renewable Energy [DE-AC0206CH11357]; Division of Materials Science and Engineering, Basic Energy Science FX This work at Hanyang University was supported by the Human Resources Development program (No.20124010203310) of the Korea Institute of Energy Technology Evaluation and Planning (KETEP) grant funded by the Korea government Ministry of Trade, Industry and Energy and also supported by the Global Frontier R&D Program (2013M3A6B1078875) of the Center for Hybrid Interface Materials (HIM) funded by the Ministry of Science, ICT & Future Planning. The work at Argonne National Laboratory was supported by the U.S. Department of Energy under Contract DE-AC0206CH11357 from the Vehicle Technologies Office, Department of Energy, Office of Energy Efficiency and Renewable Energy (K.A.) and Division of Materials Science and Engineering, Basic Energy Science (K.C.L. and L.A.C.). We also acknowledge grants of computer time through the ALCF Fusion and Blues Clusters at Argonne National Laboratory. NR 33 TC 55 Z9 55 U1 62 U2 288 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1936-0851 EI 1936-086X J9 ACS NANO JI ACS Nano PD APR PY 2015 VL 9 IS 4 BP 4129 EP 4137 DI 10.1021/acsnano.5b00267 PG 9 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA CH2PL UT WOS:000353867000078 PM 25801846 ER PT J AU Ovchinnikova, OS Tai, TM Bocharova, V Okatan, MB Belianinov, A Kertesz, V Jesse, S Van Berkel, GJ AF Ovchinnikova, Olga S. Tai, Tamin Bocharova, Vera Okatan, Mahmut Baris Belianinov, Alex Kertesz, Vilmos Jesse, Stephen Van Berkel, Gary J. TI Co-registered Topographical, Band Excitation Nanomechanical, and Mass Spectral Imaging Using a Combined Atomic Force Microscopy/Mass Spectrometry Platform SO ACS NANO LA English DT Article DE atomic force microscopy; mass spectrometry imaging; atmospheric pressure chemical ionization; thermal desorption; band excitation; topography; atmospheric pressure ID MICRO-THERMAL ANALYSIS; PRESSURE CHEMICAL-IONIZATION; EVOLVED GAS-ANALYSIS; LASER-ABLATION; POLYMER-FILMS; PROBE; DESORPTION; NANOSCALE; POLY(2-VINYLPYRIDINE); ELECTROSPRAY AB The advancement of a hybrid atomic force microscopy/mass spectrometry imaging platform demonstrating the co-registered topographical, band excitation nanomechanical, and mass spectral imaging of a surface using a single instrument is reported. The mass spectrometry-based chemical imaging component of the system utilized nanothermal analysis probes for pyrolytic surface sampling followed by atmospheric pressure chemical ionization of the gas-phase species produced with subsequent mass analysis. The basic instrumental setup and operation are discussed, and the multimodal imaging capability and utility are demonstrated using a phase-separated polystyrene/poly(2-vinylpyridine) polymer blend thin film. The topography and band excitation images showed that the valley and plateau regions of the thin film surface were comprised primarily of one of the two polymers in the blend with the mass spectral chemical image used to definitively identify the polymers at the different locations. Data point pixel size for the topography (390 nm x 390 nm), band excitation (781 nm x 781 nm), and mass spectrometry (690 nm x 500 nm) images was comparable and submicrometer in all three cases, but the data voxel size for each of the three images was dramatically different. The topography image was uniquely a surface measurement, whereas the band excitation image included information from an estimated 20 nm deep into the sample and the mass spectral image from 110 to 140 nm in depth. Because of this dramatic sampling depth variance, some differences in the band excitation and mass spectrometry chemical images were observed and were interpreted to indicate the presence of a buried interface in the sample. The spatial resolution of the chemical image was estimated to be between 1.5 and 2.6 mu m, based on the ability to distinguish surface features in that image that were also observed in the other images. C1 [Ovchinnikova, Olga S.; Tai, Tamin; Kertesz, Vilmos; Van Berkel, Gary J.] Oak Ridge Natl Lab, Div Chem Sci, Organ & Biol Mass Spectrometry Grp, Oak Ridge, TN 37831 USA. [Bocharova, Vera] Oak Ridge Natl Lab, Div Chem Sci, Soft Mat Grp, Oak Ridge, TN 37831 USA. [Okatan, Mahmut Baris; Belianinov, Alex; Jesse, Stephen] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Imaging & Nanoscale Characterizat Grp, Oak Ridge, TN 37831 USA. [Okatan, Mahmut Baris; Belianinov, Alex; Jesse, Stephen] Oak Ridge Natl Lab, Inst Funct Imaging Mat, Oak Ridge, TN 37831 USA. RP Ovchinnikova, OS (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Organ & Biol Mass Spectrometry Grp, Oak Ridge, TN 37831 USA. EM ovchinnikovo@ornl.gov; vanberkelgj@ornl.gov RI Jesse, Stephen/D-3975-2016; Okatan, M. Baris/E-1913-2016; Kertesz, Vilmos/M-8357-2016 OI Belianinov, Alex/0000-0002-3975-4112; Jesse, Stephen/0000-0002-1168-8483; Okatan, M. Baris/0000-0002-9421-7846; Kertesz, Vilmos/0000-0003-0186-5797 FU United States Department of Energy, Office of Science, Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division; U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences (BES), Materials Sciences and Engineering Division FX The work of O.S.O, T.T., V.K., and G.J.V.B. on the fundamentals and optimization of the hybrid AFM/MS system was supported by the United States Department of Energy, Office of Science, Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division. The polymer work of V.B. was supported by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences (BES), Materials Sciences and Engineering Division. The BE work of M.B.O., A.B., and S.J. was carried out as part of the Center for Nanophase Materials Sciences, which is a DOE Office of Science User Facility. Kevin Kjoller of Anasys Instruments is thanked for the loan of the modified AFM+ instrument. NR 54 TC 8 Z9 8 U1 4 U2 25 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1936-0851 EI 1936-086X J9 ACS NANO JI ACS Nano PD APR PY 2015 VL 9 IS 4 BP 4260 EP 4269 DI 10.1021/acsnano.5b00659 PG 10 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA CH2PL UT WOS:000353867000093 PM 25783696 ER PT J AU Sautter, J Staude, I Decker, M Rusak, E Neshev, DN Brener, I Kivshar, YS AF Sautter, Juergen Staude, Isabelle Decker, Manuel Rusak, Evgenia Neshev, Dragomir N. Brener, Igal Kivshar, Yuri S. TI Active Tuning of All-Dielectric Metasurfaces SO ACS NANO LA English DT Article DE high-permittivity nanoparticles; metasurfaces; liquid crystals; tunable metamaterials; nanostructures; optical anisotropy ID LIQUID-CRYSTAL CELL; TERAHERTZ METAMATERIALS; FANO RESONANCES; LIGHT; NANOANTENNAS; GRAPHENE AB All-dielectric metasurfaces provide a powerful platform for highly efficient flat optical devices, owing to their strong electric and magnetic dipolar response accompanied by negligible losses at near-infrared frequencies. Here we experimentally demonstrate dynamic tuning of electric and magnetic resonances in all-dielectric silicon nanodisk metasurfaces in the telecom spectral range based on the temperature-dependent refractive-index change of a nematic liquid crystal. We achieve a maximum resonance tuning range of 40 nm and a pronounced change in the transmittance intensity up to a factor of 5. Strongly different tuning rates are observed for the electric and the magnetic response, which allows for dynamically adjusting the spectral mode separation. Furthermore, we experimentally investigate the influence of the anisotropic (temperature-dependent) dielectric environment provided by the liquid crystal on both the electric and magnetic resonances. We demonstrate that the phase transition of the liquid crystal from its nematic to its isotropic phase can be used to break the symmetry of the optical metasurface response. As such, our approach allows for spectral tuning of electric and magnetic resonances of all-dielectric metasurfaces as well as switching of the anisotropy of the optical response of the device. C1 [Sautter, Juergen; Staude, Isabelle; Decker, Manuel; Rusak, Evgenia; Neshev, Dragomir N.; Kivshar, Yuri S.] Australian Natl Univ, Res Sch Phys & Engn, Nonlinear Phys Ctr, Canberra, ACT 2601, Australia. [Sautter, Juergen; Staude, Isabelle; Decker, Manuel; Rusak, Evgenia; Neshev, Dragomir N.; Kivshar, Yuri S.] Australian Natl Univ, Res Sch Phys & Engn, Ctr Ultrahigh Bandwidth Devices Opt Syst CUDOS, Canberra, ACT 2601, Australia. [Brener, Igal] Sandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA. RP Staude, I (reprint author), Australian Natl Univ, Res Sch Phys & Engn, Nonlinear Phys Ctr, GPO Box 4, Canberra, ACT 2601, Australia. EM isabelle.staude@anu.edu.au RI Staude, Isabelle/N-4270-2015; Neshev, Dragomir/A-3759-2008; OI Neshev, Dragomir/0000-0002-4508-8646; Decker, Manuel/0000-0002-9125-0851 FU Australian Research Council through Centre of Excellence; Discovery Project; DECRA Fellowship grants; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; German National Academic Foundation FX The authors acknowledge the support from the Australian Research Council through Centre of Excellence, Discovery Project, and DECRA Fellowship grants. This work was performed, in part, at the Center for Integrated Nanotechnologies, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science. Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. E.R. acknowledges the support from the German National Academic Foundation. NR 37 TC 31 Z9 31 U1 29 U2 165 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1936-0851 EI 1936-086X J9 ACS NANO JI ACS Nano PD APR PY 2015 VL 9 IS 4 BP 4308 EP 4315 DI 10.1021/acsnano.5b00723 PG 8 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA CH2PL UT WOS:000353867000098 PM 25748581 ER PT J AU Tselev, A Vasudevan, RK Gianfrancesco, AG Qiao, L Ganesh, P Meyer, TL Lee, HN Biegalski, MD Baddorf, AP Kalinin, SV AF Tselev, Alexander Vasudevan, Rama K. Gianfrancesco, Anthony G. Qiao, Liang Ganesh, P. Meyer, Tricia L. Lee, Ho Nyung Biegalski, Michael D. Baddorf, Arthur P. Kalinin, Sergei V. TI Surface Control of Epitaxial Manganite Films via Oxygen Pressure SO ACS NANO LA English DT Article DE perovskite manganite; pulsed laser deposition; scanning tunneling microscopy; X-ray photoelectron spectroscopy; surface structure ID LA0.7SR0.3MNO3 THIN-FILMS; COLOSSAL MAGNETORESISTIVE MANGANITES; PULSED-LASER DEPOSITION; SPIN POLARIZATION; PHOTOELECTRON-SPECTROSCOPY; PEROVSKITE MANGANITES; ELECTRONIC-STRUCTURE; MAGNETIC-PROPERTIES; LAYERED MANGANITE; PHASE AB The trend to reduce device dimensions demands increasing attention to atomic-scale details of structure of thin films as well as to pathways to control it. This is of special importance in the systems with multiple competing interactions. We have used in situ scanning tunneling microscopy to image surfaces of La5/8Ca3/8MnO3 films grown by pulsed laser deposition. The atomically resolved imaging was combined with in situ angle-resolved X-ray photoelectron spectroscopy. We find a strong effect of the background oxygen pressure during deposition on structural and chemical features of the film surface. Deposition at 50 mTorr of O-2 leads to mixed-terminated film surfaces, with B-site (MnO2) termination being structurally imperfect at the atomic scale. A relatively small reduction of the oxygen pressure to 20 mTorr results in a dramatic change of the surface structure leading to a nearly perfectly ordered B-site terminated surface with only a small fraction of A-site (La,Ca)O termination. This is accompanied, however, by surface roughening at a mesoscopic length scale. The results suggest that oxygen has a strong link to the adatom mobility during growth. The effect of the oxygen pressure on dopant surface segregation is also pronounced: Ca surface segregation is decreased with oxygen pressure reduction. C1 [Tselev, Alexander; Vasudevan, Rama K.; Gianfrancesco, Anthony G.; Qiao, Liang; Ganesh, P.; Meyer, Tricia L.; Lee, Ho Nyung; Biegalski, Michael D.; Baddorf, Arthur P.; Kalinin, Sergei V.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Tselev, A (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM tseleva@ornl.gov; sergei2@ornl.gov RI Qiao, Liang/A-8165-2012; Tselev, Alexander/L-8579-2015; Lee, Ho Nyung/K-2820-2012; Ganesh, Panchapakesan/E-3435-2012; Vasudevan, Rama/Q-2530-2015; Kalinin, Sergei/I-9096-2012; Baddorf, Arthur/I-1308-2016 OI Tselev, Alexander/0000-0002-0098-6696; Lee, Ho Nyung/0000-0002-2180-3975; Ganesh, Panchapakesan/0000-0002-7170-2902; Vasudevan, Rama/0000-0003-4692-8579; Kalinin, Sergei/0000-0001-5354-6152; Baddorf, Arthur/0000-0001-7023-2382 FU U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division; U.S. Department of Energy, Office of Basic Energy Sciences, Scientific User Facilities Division FX This research was sponsored by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division (A.T, R.K.V., A.G.G., T.L.M., H.N.L., S.V.K.). Research was conducted at CNMS, which also provided support (A.P.B., M.D.B., L.Q., P.G.) and which is sponsored at Oak Ridge National Laboratory by the U.S. Department of Energy, Office of Basic Energy Sciences, Scientific User Facilities Division. NR 67 TC 9 Z9 9 U1 8 U2 57 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1936-0851 EI 1936-086X J9 ACS NANO JI ACS Nano PD APR PY 2015 VL 9 IS 4 BP 4316 EP 4327 DI 10.1021/acsnano.5b00743 PG 12 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA CH2PL UT WOS:000353867000099 PM 25758864 ER PT J AU Leenheer, AJ Jungjohann, KL Zavadil, KR Sullivan, JP Harris, CT AF Leenheer, Andrew J. Jungjohann, Katherine L. Zavadil, Kevin R. Sullivan, John P. Harris, C. Thomas TI Lithium Electrodeposition Dynamics in Aprotic Electrolyte Observed in Situ via Transmission Electron Microscopy SO ACS NANO LA English DT Article DE lithium electrodeposition; liquid-cell electron microscopy; electron beam radiolysis; lithium-ion battery; solid electrolyte interphase; in situ TEM ID DENDRITIC GROWTH; LIQUID CELL; ION BATTERIES; LITHIUM/POLYMER CELLS; SECONDARY BATTERIES; LI ELECTRODES; METAL; TEM; MECHANISMS; MORPHOLOGY AB Electrodeposited metallic lithium is an ideal negative battery electrode, but nonuniform microstructure evolution during cycling leads to degradation and safety issues. A better understanding of the Li plating and stripping processes is needed to enable practical Li-metal batteries. Here we use a custom microfabricated, sealed liquid cell for in situ scanning transmission electron microscopy (STEM) to image the first few cycles of lithium electrodeposition/dissolution in liquid aprotic electrolyte at submicron resolution. Cycling at current densities from 1 to 25 mA/cm(2) leads to variations in grain structure, with higher current densities giving a more needle-like, higher surface area deposit. The effect of the electron beam was explored, and it was found that, even with minimal beam exposure, beam-induced surface film formation could alter the Li microstructure. The electrochemical dissolution was seen to initiate from isolated points on grains rather than uniformly across the Li surface, due to the stabilizing solid electrolyte interphase surface film. We discuss the implications for operando STEM liquid-cell imaging and Li-battery applications. C1 [Leenheer, Andrew J.; Jungjohann, Katherine L.; Zavadil, Kevin R.; Sullivan, John P.; Harris, C. Thomas] Sandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA. RP Leenheer, AJ (reprint author), Sandia Natl Labs, Ctr Integrated Nanotechnol, POB 5800, Albuquerque, NM 87185 USA. EM ajleenh@sandia.gov; ctharri@sandia.gov FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; Laboratory Directed Research and Development (LDRD) project at Sandia National Laboratories (SNL); Nanostructures for Electrical Energy Storage (NEES), an Energy Frontier Research Center (EFRC) - U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DESC0001160] FX We would like to thank Sean Hearne and Gary Rubloff for project support, Michael Shaw and the Sandia MESA CMOS fabrication facility for design and production of the TEM liquid cells, and Nick Hudak, Kyle Fenton, and Kevin Leung for advice on Li-ion electrochemistry and procedures. This work was performed at the Center for Integrated Nanotechnologies (CINT), an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science. Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000. This work was supported in part by a Laboratory Directed Research and Development (LDRD) project at Sandia National Laboratories (SNL) and in part by Nanostructures for Electrical Energy Storage (NEES), an Energy Frontier Research Center (EFRC) funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award Number DESC0001160. The LDRD supported the development and fabrication of platforms. The NEES center supported the development of TEM techniques. NR 54 TC 16 Z9 16 U1 26 U2 124 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1936-0851 EI 1936-086X J9 ACS NANO JI ACS Nano PD APR PY 2015 VL 9 IS 4 BP 4379 EP 4389 DI 10.1021/acsnano.5b00876 PG 11 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA CH2PL UT WOS:000353867000106 PM 25785517 ER PT J AU Vamvasakis, I Subrahmanyam, KS Kanatzidis, MG Armatas, GS AF Vamvasakis, Ioannis Subrahmanyam, Kota S. Kanatzidis, Mercouri G. Armatas, Gerasimos S. TI Template-Directed Assembly of Metal-Chalcogenide Nanocrystals into Ordered Mesoporous Networks SO ACS NANO LA English DT Article DE mesoporous semiconductors; metal chalcogenides; self-assembly; nanoparticles ID CDS QUANTUM DOTS; AMBIENT CONDITIONS; BUILDING-BLOCKS; NANOPARTICLES; PHOTOCATALYST; ADSORPTION; CLUSTERS; AEROGELS AB Although great progress in the synthesis of porous networks of metal and metal oxide nanoparticles with highly accessible pore surface and ordered mesoscale pores has been achieved, synthesis of assembled 3D mesostructures of metal-chalcogenide nanocrystals is still challenging. In this work we demonstrate that ordered mesoporous networks, which comprise well-defined interconnected metal sulfide nanocrystals, can be prepared through a polymer-templated oxidative polymerization process. The resulting self-assembled mesostructures that were obtained after solvent extraction of the polymer template impart the unique combination of light-emitting metal chalcogenide nanocrystals, three-dimensional open-pore structure, high surface area, and uniform pores. We show that the pore surface of these materials is active and accessible to incoming molecules, exhibiting high photocatalytic activity and stability, for instance, in oxidation of 1-phenylethanol into acetophenone. We demonstrate through appropriate selection of the synthetic components that this method is general to prepare ordered mesoporous materials from metal chalcogenide nanocrystals with various sizes and compositions. C1 [Vamvasakis, Ioannis; Armatas, Gerasimos S.] Univ Crete, Dept Mat Sci & Technol, Iraklion 71003, Crete, Greece. [Subrahmanyam, Kota S.; Kanatzidis, Mercouri G.] Northwester Univ, Dept Chem, Evanston, IL 60208 USA. [Kanatzidis, Mercouri G.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Armatas, GS (reprint author), Univ Crete, Dept Mat Sci & Technol, Iraklion 71003, Crete, Greece. EM garmatas@materials.uoc.gr RI Armatas, Gerasimos/F-4753-2011 OI Armatas, Gerasimos/0000-0001-9475-1929 FU European Union; Greek Ministry of Education (NSRF) under the ERC Grant Schemes, (MESOPOROUS-NPs) [ERC-09] FX We gratefully acknowledge financial support from the European Union and the Greek Ministry of Education (NSRF) under the ERC Grant Schemes (ERC-09, MESOPOROUS-NPs). NR 33 TC 11 Z9 12 U1 8 U2 98 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1936-0851 EI 1936-086X J9 ACS NANO JI ACS Nano PD APR PY 2015 VL 9 IS 4 BP 4419 EP 4426 DI 10.1021/acsnano.5b01014 PG 8 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA CH2PL UT WOS:000353867000111 PM 25871841 ER PT J AU Khairallah, SA Anderson, A Rubenchik, AM Florando, J Wu, S Lowdermilk, H AF Khairallah, S. A. Anderson, A. Rubenchik, A. M. Florando, J. Wu, S. Lowdermilk, H. TI Simulation of the main physical processes in remote laser penetration with large laser spot size SO AIP ADVANCES LA English DT Article AB A 3D model is developed to simulate remote laser penetration of a 1mm Aluminum metal sheet with large laser spot size (similar to 3x3cm(2)), using the ALE3D multi-physics code. The model deals with the laser-induced melting of the plate and the mechanical interaction between the solid and the melted part through plate elastic-plastic response. The effect of plate oscillations and other forces on plate rupture, the droplet formation mechanism and the influence of gravity and high laser power in further breaking the single melt droplet into many more fragments are analyzed. In the limit of low laser power, the numerical results match the available experiments. The numerical approach couples mechanical and thermal diffusion to hydrodynamics melt flow and accounts for temperature dependent material properties, surface tension, gravity and vapor recoil pressure. (C) 2015 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License. C1 [Khairallah, S. A.; Anderson, A.; Rubenchik, A. M.; Florando, J.; Wu, S.; Lowdermilk, H.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Khairallah, SA (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. EM khairallah1@llnl.gov FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Laboratory Directed Research and Development Program at LLNL [12-ERD-050] FX We would like to thank Al Nichols III for his help with the thermal package in ALE3D. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. This work was funded by the Laboratory Directed Research and Development Program at LLNL under project tracking code 12-ERD-050. The LLNL document review and release number is LLNL-JRNL-666426. NR 16 TC 1 Z9 1 U1 3 U2 13 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 2158-3226 J9 AIP ADV JI AIP Adv. PD APR PY 2015 VL 5 IS 4 AR 047120 DI 10.1063/1.4918284 PG 10 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Physics GA CH2BC UT WOS:000353827700053 ER PT J AU Fitzgerald, TL Powell, JJ Schneebeli, K Hsia, MM Gardiner, DM Bragg, JN McIntyre, CL Manners, JM Ayliffe, M Watt, M Vogel, JP Henry, RJ Kazan, K AF Fitzgerald, Timothy L. Powell, Jonathan J. Schneebeli, Katharina Hsia, M. Mandy Gardiner, Donald M. Bragg, Jennifer N. McIntyre, C. Lynne Manners, John M. Ayliffe, Mick Watt, Michelle Vogel, John P. Henry, Robert J. Kazan, Kemal TI Brachypodium as an emerging model for cereal-pathogen interactions SO ANNALS OF BOTANY LA English DT Review DE Brachypodium distachyon; barley stripe mosaic virus; cereal-pathogen interaction; ecotypes; functional genomics; Fusarium; Magnaporthe; model species; mutants; plant defence; Puccinia; Pyrenophora; Rhizoctonia; Stagonospora; Xanthomonas ID DISEASE-RESISTANCE GENES; GENOME-WIDE ASSOCIATION; FUSARIUM MYCOTOXIN DEOXYNIVALENOL; QUANTITATIVE TRAIT LOCI; RHIZOCTONIA ROOT-ROT; TAN SPOT RESISTANCE; MAGNAPORTHE-GRISEA; DEFENSE RESPONSES; POWDERY MILDEW; UDP-GLUCOSYLTRANSFERASE AB Background Cereal diseases cause tens of billions of dollars of losses annually and have devastating humanitarian consequences in the developing world. Increased understanding of the molecular basis of cereal host-pathogen interactions should facilitate development of novel resistance strategies. However, achieving this in most cereals can be challenging due to large and complex genomes, long generation times and large plant size, as well as quarantine and intellectual property issues that may constrain the development and use of community resources. Brachypodium distachyon (brachypodium) with its small, diploid and sequenced genome, short generation time, high transformability and rapidly expanding community resources is emerging as a tractable cereal model. Scope Recent research reviewed here has demonstrated that brachypodium is either susceptible or partially susceptible to many of the major cereal pathogens. Thus, the study of brachypodium-pathogen interactions appears to hold great potential to improve understanding of cereal disease resistance, and to guide approaches to enhance this resistance. This paper reviews brachypodium experimental pathosystems for the study of fungal, bacterial and viral cereal pathogens; the current status of the use of brachypodium for functional analysis of cereal disease resistance; and comparative genomic approaches undertaken using brachypodium to assist characterization of cereal resistance genes. Additionally, it explores future prospects for brachypodium as a model to study cereal-pathogen interactions. Conclusions The study of brachypodium-pathogen interactions appears to be a productive strategy for understanding mechanisms of disease resistance in cereal species. Knowledge obtained from this model interaction has strong potential to be exploited for crop improvement. C1 [Fitzgerald, Timothy L.; Powell, Jonathan J.; Gardiner, Donald M.; McIntyre, C. Lynne; Kazan, Kemal] CSIRO, Agr Flagship, Brisbane, Qld 4067, Australia. [Powell, Jonathan J.; Henry, Robert J.; Kazan, Kemal] Univ Queensland, Queensland Alliance Agr & Food Innovat, Brisbane, Qld 4072, Australia. [Schneebeli, Katharina; Manners, John M.; Ayliffe, Mick; Watt, Michelle] CSIRO, Agr Flagship, Canberra, ACT 2601, Australia. [Hsia, M. Mandy; Bragg, Jennifer N.] USDA ARS, WRRC, Albany, CA 94710 USA. [Bragg, Jennifer N.] Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94710 USA. [Vogel, John P.] Dept Energy Joint Genome Inst, Walnut Creek, CA 94598 USA. RP Fitzgerald, TL (reprint author), CSIRO, Agr Flagship, Brisbane, Qld 4067, Australia. EM timothy.l.fitzgerald@gmail.com RI Schneebeli, Katharina/A-9947-2011; Gardiner, Donald/A-1297-2010; Kazan, Kemal/B-8032-2008; Manners, John/A-4922-2008; McIntyre, Cathrine/F-5782-2011; Watt, Michelle/I-6226-2016; Henry, Robert/B-5824-2008 OI Schneebeli, Katharina/0000-0002-2256-0645; Vogel, John/0000-0003-1786-2689; Gardiner, Donald/0000-0002-2162-8716; Watt, Michelle/0000-0001-7843-0957; Henry, Robert/0000-0002-4060-0292 FU Grains Research and Development Corporation, Australia FX CSIRO-affiliated authors gratefully acknowledge support provided by the Grains Research and Development Corporation, Australia. NR 148 TC 6 Z9 6 U1 8 U2 53 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0305-7364 EI 1095-8290 J9 ANN BOT-LONDON JI Ann. Bot. PD APR PY 2015 VL 115 IS 5 BP 717 EP 731 DI 10.1093/aob/mcv010 PG 15 WC Plant Sciences SC Plant Sciences GA CH5HW UT WOS:000354067300001 PM 25808446 ER PT J AU Perez-Pimienta, JA Lopez-Ortega, MG Chavez-Carvayar, JA Varanasi, P Stavila, V Cheng, G Singh, S Simmons, BA AF Perez-Pimienta, Jose A. Lopez-Ortega, Monica G. Chavez-Carvayar, Jose A. Varanasi, Patanjali Stavila, Vitalie Cheng, Gang Singh, Seema Simmons, Blake A. TI Characterization of agave bagasse as a function of ionic liquid pretreatment SO BIOMASS & BIOENERGY LA English DT Article DE Agave bagasse; Ionic liquid pretreatment; Lignocellulosic biofuels; Calcium oxalate; Characterization ID CALCIUM-OXALATE CRYSTALS; LIGNOCELLULOSIC BIOMASS; ENZYMATIC-HYDROLYSIS; CELLULOSE; SWITCHGRASS; RECALCITRANCE; PYROLYSIS; LIGNIN; SACCHARIFICATION; HEMICELLULOSE AB Previous studies of agave bagasse (AGB-byproduct of tequila industry) presented unidentified crystalline peaks that are not typical from common biofuel feedstocks (e.g sugarcane bagasse, switchgrass or corn stover) making it an important issue to be addressed for future biorefinery applications. Ionic liquid (IL) pretreatment of AGB was performed using 1-ethyl-3-methylimidazolium acetate ([C(2)mim][OAc]) at 120, 140 and 160 degrees C for 3 h and a mass fraction of 3% in order to identify these peaks. Pretreated samples were analyzed by powder X-ray diffraction (XRD), Fourier transform infrared (FT-IR) spectroscopy, field emission scanning electronic microscopy (FE-SEM), thermal analysis (TGA-DSC) and wet chemistry methods. Previous unidentified XRD peaks on AGB at 2 theta = 15 degrees, 24.5 degrees and 30.5 degrees, were found to correspond to calcium oxalate (CaC2O4) in a monohydrated form. IL pretreatment with [C(2)mim][OAc]] was observed to remove CaC2O4 and decrease cellulose crystallinity. At 140 degrees C, IL pretreatment significantly enhances enzymatic kinetics and leads to similar to 8 times increase in sugar yield (6.66 kg m(-3)) when compared to the untreated samples (960 g m(-3)). These results indicate that IL pretreatment can effectively process lignocellulosic biomass with high levels of CaC2O4. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Perez-Pimienta, Jose A.; Lopez-Ortega, Monica G.] Univ Autonoma Nayarit, Dept Chem Engn, Tepic, Mexico. [Chavez-Carvayar, Jose A.] Univ Nacl Autonoma Mexico, Inst Invest Mat, Mexico City, DF, Mexico. [Varanasi, Patanjali; Singh, Seema; Simmons, Blake A.] Lawrence Berkeley Natl Lab, Joint BioEnergy Inst, Phys Biosci Div, Emeryville, CA USA. [Varanasi, Patanjali; Singh, Seema; Simmons, Blake A.] Sandia Natl Labs, Biol & Mat Sci Ctr, Livermore, CA USA. [Stavila, Vitalie] Sandia Natl Labs, Energy Nanomat Dept, Livermore, CA USA. [Cheng, Gang] Beijing Univ Chem Technol, Coll Life Sci & Technol, Beijing 100029, Peoples R China. RP Perez-Pimienta, JA (reprint author), Univ Autonoma Nayarit, Dept Chem Engn, Tepic, Mexico. EM japerez@uan.edu.mx OI Perez-Pimienta, Jose A./0000-0002-1370-8716; Simmons, Blake/0000-0002-1332-1810 FU US Department of Energy, Office of Science, Office of Biological and Environmental Research [DE-AC02-05CH11231]; National Natural Science Foundation of China [U1432109]; Large Scale Scientific Facility of Chinese Academy of Science [U1432109] FX The authors thank Novozymes for the gift of the Cellic (R) CTec2 and HTec2 enzyme cocktails, and Damaris Cabrero Palomino for her assistance on TGA-DSC analysis. This work was part of the DOE Joint BioEnergy Institute (http://www.jbei.org) supported by the US Department of Energy, Office of Science, Office of Biological and Environmental Research, through Contract DE-AC02-05CH11231 between Lawrence Berkeley National Laboratory and the US Department of Energy. Gang Cheng acknowledges support by the joint funds of National Natural Science Foundation of China and Large Scale Scientific Facility of Chinese Academy of Science (U1432109). NR 41 TC 11 Z9 11 U1 7 U2 45 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0961-9534 EI 1873-2909 J9 BIOMASS BIOENERG JI Biomass Bioenerg. PD APR PY 2015 VL 75 BP 180 EP 188 DI 10.1016/j.biombioe.2015.02.026 PG 9 WC Agricultural Engineering; Biotechnology & Applied Microbiology; Energy & Fuels SC Agriculture; Biotechnology & Applied Microbiology; Energy & Fuels GA CH0WW UT WOS:000353744100020 ER PT J AU Chan-Thaw, CE Villa, A Veith, GM Prati, L AF Chan-Thaw, Carine E. Villa, Alberto Veith, Gabriel M. Prati, Laura TI Identifying the Role of N-Heteroatom Location in the Activity of Metal Catalysts for Alcohol Oxidation SO CHEMCATCHEM LA English DT Article DE carbon; nanoparticles; nitrogen; oxidation; palladium ID LIQUID-PHASE OXIDATION; PALLADIUM NANOPARTICLES; PLATINUM NANOPARTICLES; IONOTHERMAL SYNTHESIS; SELECTIVE OXIDATION; FUNCTIONAL-GROUPS; CARBON NANOTUBES; NITROGEN; OXYGEN; GOLD AB This work focuses on understanding how the proximate location and bonding of N heteroatoms affect the stability and reactivity of Pd-based catalysts for the oxidation of alcohols in the solution. The results show that the simple adsorption of N groups, from the solution, has a detrimental effect on the catalytic activity and stability. In contrast, chemically bound N moieties within the carbon structure improve these properties, which limits the leaching of metal and coarsening of metal particles. Moreover, the benefits of N atoms are realized only if the N atom is covalently bonded to the support and not directly bonded to the Pd nanoparticles. C1 [Chan-Thaw, Carine E.; Villa, Alberto; Prati, Laura] Univ Milan, Dept Chem, I-20133 Milan, Italy. [Veith, Gabriel M.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Prati, L (reprint author), Univ Milan, Dept Chem, Via Golgi 19, I-20133 Milan, Italy. EM laura.prati@unimi.it RI Villa, Alberto/H-7355-2013; Prati, Laura/Q-3970-2016; Chan-Thaw, Carine /O-9785-2014 OI Villa, Alberto/0000-0001-8656-6256; Prati, Laura/0000-0002-8227-9505; Chan-Thaw, Carine /0000-0002-7330-9629 FU U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division FX This research was partially supported by the U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division (to G.M.V.). NR 43 TC 7 Z9 7 U1 2 U2 17 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1867-3880 EI 1867-3899 J9 CHEMCATCHEM JI ChemCatChem PD APR PY 2015 VL 7 IS 8 BP 1338 EP 1346 DI 10.1002/cctc.201402951 PG 9 WC Chemistry, Physical SC Chemistry GA CH4AW UT WOS:000353974000014 ER PT J AU Liu, J Mansouri, K Judson, RS Martin, MT Hong, HX Chen, MJ Xu, XW Thomas, RS Shah, I AF Liu, Jie Mansouri, Kamel Judson, Richard S. Martin, Matthew T. Hong, Huixiao Chen, Minjun Xu, Xiaowei Thomas, Russell S. Shah, Imran TI Predicting Hepatotoxicity Using ToxCast in Vitro Bioactivity and Chemical Structure SO CHEMICAL RESEARCH IN TOXICOLOGY LA English DT Article ID DECISION-SUPPORT TOOLS; PROTEIN 18 KDA; TRANSLOCATOR PROTEIN; COMPUTATIONAL TOXICOLOGY; ENVIRONMENTAL CHEMICALS; REPRODUCTIVE TOXICITY; LIVER-DISEASE; CLASSIFICATION; MODELS; HAZARD AB The U.S. Tox21 and EPA ToxCast program screen thousands of environmental chemicals for bioactivity using hundreds of high-throughput in vitro assays to build predictive models of toxicity. We represented chemicals based on bioactivity and chemical structure descriptors, then used supervised machine learning to predict in vivo hepatotoxic effects. A set of 677 chemicals was represented by 711 in vitro bioactivity descriptors (from ToxCast assays), 4,376 chemical structure descriptors (from QikProp, OpenBabel, PaDEL, and PubChem), and three hepatotoxicity categories (from animal studies). Hepatotoxicants were defined by rat liver histopathology observed after chronic chemical testing and grouped into hypertrophy (161), injury (101) and proliferative lesions (99). Classifiers were built using six machine learning algorithms: linear discriminant analysis (LDA), Naive Bayes (NB), support vector machines (SVM), classification and regression trees (CART), k-nearest neighbors (KNN), and an ensemble of these classifiers (ENSMB). Classifiers of hepatotoxicity were built using chemical structure descriptors, ToxCast bioactivity descriptors, and hybrid descriptors. Predictive performance was evaluated using 10-fold cross-validation testing and in-loop, filter-based, feature subset selection. Hybrid classifiers had the best balanced accuracy for predicting hypertrophy (0.84 +/- 0.08), injury (0.80 +/- 0.09), and proliferative lesions (0.80 +/- 0.10). Though chemical and bioactivity classifiers had a similar balanced accuracy, the former were more sensitive, and the latter were more specific. CART, ENSMB, and SVM classifiers performed the best, and nuclear receptor activation and mitochondrial functions were frequently found in highly predictive classifiers of hepatotoxicity. ToxCast and ToxRefDB provide the largest and richest publicly available data sets for mining linkages between the in vitro bioactivity of environmental chemicals and their adverse histopathological outcomes. Our findings demonstrate the utility of high-throughput assays for characterizing rodent hepatotoxicants, the benefit of using hybrid representations that integrate bioactivity and chemical structure, and the need for objective evaluation of classification performance. C1 [Liu, Jie; Mansouri, Kamel; Judson, Richard S.; Martin, Matthew T.; Thomas, Russell S.; Shah, Imran] US EPA, Natl Ctr Computat Toxicol, Off Res & Dev, Res Triangle Pk, NC 27711 USA. [Liu, Jie; Xu, Xiaowei] Univ Arkansas, Dept Informat Sci, Little Rock, AR 72204 USA. [Liu, Jie; Mansouri, Kamel] Oak Ridge Inst Sci & Educ, Oak Ridge, TN 37831 USA. [Hong, Huixiao; Chen, Minjun; Xu, Xiaowei] US FDA, Div Bioinformat & Biostat, Natl Ctr Toxicol Res, Jefferson, AR 72079 USA. RP Shah, I (reprint author), US EPA, Natl Ctr Computat Toxicol, Off Res & Dev, Res Triangle Pk, NC 27711 USA. EM shah.imran@epa.gov OI Thomas, Russell/0000-0002-2340-0301; Judson, Richard/0000-0002-2348-9633; Mansouri, Kamel/0000-0002-6426-8036 FU Research Participation Program at the Office of Research and Development, U.S. Environmental Protection Agency FX This project was supported in part by an appointment to the Research Participation Program at the Office of Research and Development, U.S. Environmental Protection Agency, administered by the Oak Ridge Institute for Science and Education through an interagency agreement between the U.S Department of Energy and EPA. NR 61 TC 14 Z9 14 U1 5 U2 27 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0893-228X EI 1520-5010 J9 CHEM RES TOXICOL JI Chem. Res. Toxicol. PD APR PY 2015 VL 28 IS 4 BP 738 EP 751 DI 10.1021/tx500501h PG 14 WC Chemistry, Medicinal; Chemistry, Multidisciplinary; Toxicology SC Pharmacology & Pharmacy; Chemistry; Toxicology GA CG6RK UT WOS:000353429700021 PM 25697799 ER PT J AU Downes, SM Weller, W Jeffery, N Mazloff, M Russell, J AF Downes, Stephanie M. Weller, Wilbert Jeffery, Nicole Mazloff, Matthew Russell, Joellen TI Southern Ocean dynamics and biogeochemistry in a changing climate: Introduction and overview SO DEEP-SEA RESEARCH PART II-TOPICAL STUDIES IN OCEANOGRAPHY LA English DT Editorial Material ID MODEL; VARIABILITY; TRANSPORT; CARBON; BASIN C1 [Downes, Stephanie M.] Australian Natl Univ, Res Sch Earth Sci, Canberra, ACT 0200, Australia. [Downes, Stephanie M.] Australian Natl Univ, ARC Ctr Excellence Climate Syst Sci, Canberra, ACT 0200, Australia. [Weller, Wilbert; Jeffery, Nicole] Los Alamos Natl Lab, Comp & Computat Sci Div, Los Alamos, NM USA. [Mazloff, Matthew] Univ Calif San Diego, Scripps Inst Oceanog, La Jolla, CA 92093 USA. [Russell, Joellen] Univ Arizona, Dept Geosci, Tucson, AZ 85721 USA. RP Downes, SM (reprint author), Australian Natl Univ, Res Sch Earth Sci, Canberra, ACT 0200, Australia. EM stephanie.downes@anu.edu.au OI Russell, Joellen/0000-0001-9937-6056 NR 19 TC 0 Z9 0 U1 1 U2 7 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0967-0645 EI 1879-0100 J9 DEEP-SEA RES PT II JI Deep-Sea Res. Part II-Top. Stud. Oceanogr. PD APR PY 2015 VL 114 BP 1 EP 2 DI 10.1016/j.dsr2.2015.02.013 PG 2 WC Oceanography SC Oceanography GA CH9FV UT WOS:000354342300001 ER PT J AU Weijer, W AF Weijer, Wilbert TI Modal variability in the Southeast Pacific Basin: Energetics of the 2009 event SO DEEP-SEA RESEARCH PART II-TOPICAL STUDIES IN OCEANOGRAPHY LA English DT Article DE Dynamical Oceanography; Ocean circulation; Bottom topography effects; Abyssal plains; Regional: Southeast Pacific Ocean; Bellingshausen Basin ID MULTIPLE OSCILLATORY MODES; DRIVEN OCEAN CIRCULATION; ARGENTINE BASIN; BAROTROPIC RESPONSE; SEA-LEVEL; WIND; RESONANCE AB We study the barotropic variability in the Southeast Pacific Basin, in particular focusing on the extreme event during the fourth quarter of 2009. A 3-year integration of a barotropic shallow-water model forced with wind stress anomalies generates localized variability that is similar in spatial extent and amplitude as the observed anomalous event. An eigenmode analysis of the same model shows the presence of several free modes in the Southeast Pacific, but projection of the modal patterns on the model output shows that their amplitudes are low. Instead, the mode is interpreted as an almost-free mode. The modal excitation accounts for a considerable fraction (23% on average) of the kinetic energy input by the wind stress in the Southeast Pacific Basin, increasing to 38% for the anomalous event in 2009. Surprisingly, a similar but weaker event during the third quarter of 2008 appears to have been more significant from an energetics point of view, with almost 50% of the energy being input into the mode. Key areas of energetic dissipation appear to be the Eltanin Fracture Zone, the crest of the East Pacific Rise, and the Chile Rise/East Pacific Rise intersection. (C) 2012 Elsevier Ltd. All rights reserved. C1 [Weijer, Wilbert] Los Alamos Natl Lab, Los Alamos, NM USA. [Weijer, Wilbert] New Mexico Consortium, Los Alamos, NM USA. RP Weijer, W (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM USA. EM wilbert@lanl.gov RI Weijer, Wilbert/A-7909-2010 FU Regional and Global Climate Modeling Program of the US Department of Energy Office of Science; NSF-OCE [0928473]; U.S. Department of Energy [DE-AC52-06NA25396]; National Science Foundation (NSF) FX This research was supported by the Regional and Global Climate Modeling Program of the US Department of Energy Office of Science, and by NSF-OCE award 0928473. Los Alamos National Laboratory is operated by the Los Alamos National Security, LLC for the National Nuclear Security Administration of the U.S. Department of Energy under Contract DE-AC52-06NA25396. The wind stress data. used in this study are from the Research Data Archive (RDA) which is maintained by the Computational and Information Systems Laboratory (CISL) at the National Center for Atmospheric Research (NCAR). NCAR is sponsored by the National Science Foundation (NSF). The original data are available from the RDA (http://dss.ucar.edu) in dataset number ds744.9. Constructive comments by Nicole Jeffery (LANL) and two anonymous reviewers are gratefully acknowledged. NR 33 TC 1 Z9 1 U1 2 U2 3 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0967-0645 EI 1879-0100 J9 DEEP-SEA RES PT II JI Deep-Sea Res. Part II-Top. Stud. Oceanogr. PD APR PY 2015 VL 114 BP 3 EP 11 DI 10.1016/j.dsr2.2012.10.002 PG 9 WC Oceanography SC Oceanography GA CH9FV UT WOS:000354342300002 ER PT J AU Pangle, RE Limousin, JM Plaut, JA Yepez, EA Hudson, PJ Boutz, AL Gehres, N Pockman, WT McDowell, NG AF Pangle, Robert E. Limousin, Jean-Marc Plaut, Jennifer A. Yepez, Enrico A. Hudson, Patrick J. Boutz, Amanda L. Gehres, Nathan Pockman, William T. McDowell, Nate G. TI Prolonged experimental drought reduces plant hydraulic conductance and transpiration and increases mortality in a pinon-juniper woodland SO ECOLOGY AND EVOLUTION LA English DT Article DE Canopy dieback; climate change; hydraulic failure; net carbon assimilation; plant water stress; precipitation manipulation; stomatal response to drought; tree death ID INDUCED TREE MORTALITY; LEAF GAS-EXCHANGE; FOREST DIE-OFF; WESTERN NORTH-AMERICA; SAP-FLOW; STOMATAL CONDUCTANCE; CLIMATE-CHANGE; WATER-USE; VEGETATION MORTALITY; ANISOHYDRIC BEHAVIORS AB Plant hydraulic conductance (k(s)) is a critical control on whole-plant water use and carbon uptake and, during drought, influences whether plants survive or die. To assess long-term physiological and hydraulic responses of mature trees to water availability, we manipulated ecosystem-scale water availability from 2007 to 2013 in a pinon pine (Pinus edulis) and juniper (Juniperus monosperma) woodland. We examined the relationship between k(s) and subsequent mortality using more than 5 years of physiological observations, and the subsequent impact of reduced hydraulic function and mortality on total woody canopy transpiration (E-C) and conductance (G(C)). For both species, we observed significant reductions in plant transpiration (E) and k(s) under experimentally imposed drought. Conversely, supplemental water additions increased E and k(s) in both species. Interestingly, both species exhibited similar declines in k(s) under the imposed drought conditions, despite their differing stomatal responses and mortality patterns during drought. Reduced whole-plant k(s) also reduced carbon assimilation in both species, as leaf-level stomatal conductance (g(s)) and net photosynthesis (A(n)) declined strongly with decreasing k(s). Finally, we observed that chronically low whole-plant k(s) was associated with greater canopy dieback and mortality for both pinon and juniper and that subsequent reductions in woody canopy biomass due to mortality had a significant impact on both daily and annual canopy E-C and G(C). Our data indicate that significant reductions in k(s) precede drought-related tree mortality events in this system, and the consequence is a significant reduction in canopy gas exchange and carbon fixation. Our results suggest that reductions in productivity and woody plant cover in pinon-juniper woodlands can be expected due to reduced plant hydraulic conductance and increased mortality of both pinon pine and juniper under anticipated future conditions of more frequent and persistent regional drought in the southwestern United States. C1 [Pangle, Robert E.; Plaut, Jennifer A.; Hudson, Patrick J.; Boutz, Amanda L.; Gehres, Nathan; Pockman, William T.] 1 Univ New Mexico, Dept Biol, Albuquerque, NM 87131 USA. [Limousin, Jean-Marc] Univ Montpellier 3, Univ Montpellier, Ctr Ecol Fonct & Evolut, EPHE,CNRS,UMR5175, F-34293 Montpellier 5, France. [Yepez, Enrico A.] Inst Tecnol Sonora, Dept Ciencias Agua & Medio Ambiente, Obregon 85000, Sonora, Mexico. [McDowell, Nate G.] Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA. RP Pangle, RE (reprint author), 1 Univ New Mexico, Dept Biol, MSC03 2020, Albuquerque, NM 87131 USA. EM robert.pangle@gmail.com RI Pockman, William/D-4086-2014 OI Pockman, William/0000-0002-3286-0457 FU Department of Energy's Office of Science (BER); National Science Foundation [DEB-0620482]; Sevilleta Field Station at the University of New Mexico FX This research was funded by the Department of Energy's Office of Science (BER) via awards to Nate G. McDowell and William T. Pockman. This project was supported by staff of the Sevilleta LTER (supported by National Science Foundation DEB-0620482) and the Sevilleta Field Station at the University of New Mexico. We would also like to thank the US Fish and Wildlife Service for providing site access and support within the Sevilleta National Wildlife Refuge. NR 91 TC 6 Z9 6 U1 5 U2 70 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 2045-7758 J9 ECOL EVOL JI Ecol. Evol. PD APR PY 2015 VL 5 IS 8 BP 1618 EP 1638 DI 10.1002/ece3.1422 PG 21 WC Ecology; Evolutionary Biology SC Environmental Sciences & Ecology; Evolutionary Biology GA CH7IL UT WOS:000354209300007 PM 25937906 ER PT J AU Zajic, D Fernando, HJS Brown, MJ Pardyjak, ER AF Zajic, Dragan Fernando, Harindra J. S. Brown, Michael J. Pardyjak, Eric R. TI On flows in simulated urban canopies SO ENVIRONMENTAL FLUID MECHANICS LA English DT Article; Proceedings Paper CT 1st Symposium on Urban Fluid Mechanics (UFM) CY AUG, 2014 CL ASME Conf, Chicago, IL HO ASME Conf DE Urban canopy; Urban canyon; Flow adjustment; Turbulence scale; Field experiment ID AVENUE STREET CANYON; TURBULENCE CHARACTERISTICS; BOUNDARY-LAYER; MEAN FLOW; ROUGHNESS SUBLAYER; VELOCITY PROFILE; OBSTACLE ARRAYS; WIND-FIELD; DISPERSION; STATISTICS AB Flow and turbulence within building canopies continue to be a topic of profound interest in the context of pedestrian comfort, wind loading, contaminant dispersion and energy usage in populated urban areas. Many experimental studies have been reported on this topic, but they either deal with wind/water tunnel measurements (at low Reynolds numbers) or complex urban building clusters (where the results are site dependent and difficult to interpret). To avert such problems, an instrumented mock building cluster made of a regular array of man-sized objects (shipping containers) placed in the atmospheric boundary layer was used to investigate spatial flow adjustment, flow patterns (as a function of approach angle) and turbulence within the building canopy. A new scaling is proposed for the characteristic canopy velocity based on the approach flow and canopy morphology, which was found to perform well when evaluated against experimental data. The flow adjustment at the leading and trailing edges of the canopy was found to be in good agreement with the formulation of Belcher et al. (J Fluid Mech 488:369-398, 2003). The results have applications to developing simple and fast contaminant transport and dispersion models that can be used in conjunction with emergency response. C1 [Zajic, Dragan] West Desert Test Ctr, Meteorol Div, Dugway, UT 84022 USA. [Fernando, Harindra J. S.] Univ Notre Dame, Environm Fluid Dynam Labs, Civil & Environm Engn & Earth Sci, Notre Dame, IN 46556 USA. [Brown, Michael J.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Pardyjak, Eric R.] Univ Utah, Dept Mech Engn, Salt Lake City, UT 84112 USA. RP Zajic, D (reprint author), West Desert Test Ctr, Meteorol Div, Dugway, UT 84022 USA. EM draganzajic@gmail.com RI Fernando, Harindra/N-5339-2014 OI Fernando, Harindra/0000-0002-9638-0698 FU NSF (CMG) [0934592]; ARO (Geosciences); Center for Environmental Fluid Dynamics at Arizona State University FX The authors are very grateful to Mr. Christopher Biltoft, Dr. Marko Princevac and Dr. Matthew A. Nelson for their help during field measurements and data processing. This research was supported by the NSF (CMG; Grant #0934592) and ARO (Geosciences). The work was carried out when the first two authors were at the Center for Environmental Fluid Dynamics at Arizona State University, the support of which is gratefully acknowledged. The authors are very thankful to anonymous reviewers for helpful suggestions and comments on the manuscript. NR 79 TC 2 Z9 2 U1 2 U2 23 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1567-7419 EI 1573-1510 J9 ENVIRON FLUID MECH JI Environ. Fluid Mech. PD APR PY 2015 VL 15 IS 2 BP 275 EP 303 DI 10.1007/s10652-013-9311-6 PG 29 WC Environmental Sciences; Mechanics; Meteorology & Atmospheric Sciences; Oceanography; Water Resources SC Environmental Sciences & Ecology; Mechanics; Meteorology & Atmospheric Sciences; Oceanography; Water Resources GA CI0ZI UT WOS:000354468800004 ER PT J AU Riccardi, D Parks, JM Johs, A Smith, JC AF Riccardi, Demian Parks, Jerry M. Johs, Alexander Smith, Jeremy C. TI HackaMol: An Object-Oriented Modern Perl Library for Molecular Hacking on Multiple Scales SO JOURNAL OF CHEMICAL INFORMATION AND MODELING LA English DT Article ID SOFTWARE NEWS; SIMULATIONS; TOOLKIT; BIOINFORMATICS; DYNAMICS; BIOLOGY; DOCKING AB HackaMol is an open source, object-oriented toolkit written in Modern Perl that organizes atoms within molecules and provides chemically intuitive attributes and methods. The library consists of two components: HackaMol, the core that contains classes for storing and manipulating molecular information, and HackaMol::X, the extensions that use the core. The core is well-tested, well-documented, and easy to install across computational platforms. The goal of the extensions is to provide a more flexible space for researchers to develop and share new methods. In this application note, we provide a description of the core classes and two extensions: HackaMol::X::Calculator, an abstract calculator that uses code references to generalize interfaces with external programs, and HackaMol::X::Vina, a structured class that provides an interface with the AutoDock Vina docking program. C1 [Riccardi, Demian] Earlham Coll, Dept Chem, Richmond, IN 47374 USA. [Riccardi, Demian; Smith, Jeremy C.] Oak Ridge Natl Lab, UT ORNL Ctr Mol Biophys, Oak Ridge, TN 37831 USA. [Parks, Jerry M.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. [Johs, Alexander] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Smith, Jeremy C.] Univ Tennessee, Dept Biochem & Cellular & Mol Biol, Knoxville, TN 37996 USA. RP Riccardi, D (reprint author), Earlham Coll, Dept Chem, 801 Natl Rd West, Richmond, IN 47374 USA. EM riccade@earlham.edu RI Parks, Jerry/B-7488-2009; smith, jeremy/B-7287-2012 OI Parks, Jerry/0000-0002-3103-9333; smith, jeremy/0000-0002-2978-3227 FU U.S. Department of Energy (DOE), Office of Science, Office of Biological and Environmental Research, Subsurface Biogeochemical Research Program [DE-SC0004895]; U.S. DOE [DE-AC05-00OR22725]; Office of Science of the U.S. DOE [DE-AC02-05CH11231] FX We are grateful to the Perl community, and more specifically the CPAN contributors that created the modules upon which HackaMol depends (Moose, Math::Vector::Real, Path::Tiny, and others). D.R. acknowledges many helpful discussions with John Eblen, Misha Wolfson, Mario Roy, and Salvador Fandino. This work was supported in part by Grant DE-SC0004895 from the U.S. Department of Energy (DOE), Office of Science, Office of Biological and Environmental Research, Subsurface Biogeochemical Research Program. ORNL is managed by UT-Battelle, LLC for the U.S. DOE under Contract DE-AC05-00OR22725. This research used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the U.S. DOE under Contract DE-AC02-05CH11231. NR 23 TC 1 Z9 1 U1 0 U2 5 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1549-9596 EI 1549-960X J9 J CHEM INF MODEL JI J. Chem Inf. Model. PD APR PY 2015 VL 55 IS 4 BP 721 EP 726 DI 10.1021/ci500359e PG 6 WC Chemistry, Medicinal; Chemistry, Multidisciplinary; Computer Science, Information Systems; Computer Science, Interdisciplinary Applications SC Pharmacology & Pharmacy; Chemistry; Computer Science GA CG9VQ UT WOS:000353668600002 PM 25793330 ER PT J AU Aguiar, JA Anderoglu, O Choudhury, S Baldwin, JK Wang, Y Misra, A Uberuaga, BP AF Aguiar, J. A. Anderoglu, O. Choudhury, S. Baldwin, J. K. Wang, Y. Misra, A. Uberuaga, B. P. TI Nanoscale morphologies at alloyed and irradiated metal-oxide bilayers SO JOURNAL OF MATERIALS SCIENCE LA English DT Article ID DISPERSION-STRENGTHENED STEELS; GRAIN-BOUNDARY; SEGREGATION; NANOCLUSTERS; INTERFACES; PARTICLES; CONTRAST; FUEL; TEM AB Individually, alloying and ion irradiation are two avenues for modifying the chemical and phase structure at solid-state interfaces. Both can lead to the phenomena of alloying, intermixing, and, when combined, radiation-induced elemental redistribution. Thus, understanding how each independently influences the structure of interfaces provides insight into the chemical morphologies at the interface, the possible formation of secondary phases, and the basic mechanisms necessary for understanding alloying. Within the analytical framework provided by electron microscopy, we study changes in structure and chemistry in connection with the formation of composite layered interfaces following alloying and ion irradiation at metal-oxide interfaces. In particular, the chemical evolutions of as-deposited Fe/Cr and irradiated Fe thin films on TiO2 are characterized to reveal structural and chemical changes associated with physical interactions induced by either alloying or irradiation. The results of the study conclude by comparing the effects of alloying with radiation-induced intermixing. We find that the extent of Fe intermixing into the TiO2 substrate is similar for both irradiated and alloyed films, indicating that both can lead to the formation of similar complex nanoscale morphologies at the interface. Our results highlight the complex and competing phenomena that dictate the structure and chemistry at these interfaces. C1 [Aguiar, J. A.; Anderoglu, O.; Choudhury, S.; Wang, Y.; Uberuaga, B. P.] Los Alamos Natl Lab, Mat Sci & Technol Div, Los Alamos, NM 87545 USA. [Aguiar, J. A.] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Baldwin, J. K.; Misra, A.] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA. [Misra, A.] Univ Michigan, Mat Sci & Engn, Ann Arbor, MI 48109 USA. RP Aguiar, JA (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM jeffery.aguiar@nrel.gov RI Misra, Amit/H-1087-2012; Choudhury, Samrat/B-4115-2009; OI Aguiar, Jeffery/0000-0001-6101-4762 FU Center for Materials at Irradiation and Mechanical Extremes (CMIME), an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [2008LANL1026]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences; Oak Ridge National Laboratory's ShaRE User Facility - Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy FX The synthesis and irradiation studies of Fe/TiO2 were supported by Center for Materials at Irradiation and Mechanical Extremes (CMIME), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award Number 2008LANL1026. The examination of the (Fe, Cr)/TiO2 sample was supported by the Laboratory's Directed Research program funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. The work was performed, in part, at the Center for Integrated Nanotechnologies, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science. JAA acknowledges support in part by Oak Ridge National Laboratory's ShaRE User Facility, which is sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy in collaboration with Miaofang Chi and Juan Carlos Idrobo. Other parts of the TEM work were performed at LeRoy Eyring Center for Solid-State Science at Arizona State University (ASU) in collaboration with Toshihiro Aoki. We acknowledge Patricia Dickerson at Los Alamos National Laboratory and Dorothy Coffey at Oak Ridge National Laboratory for fabricating FIB foils. We would also like to acknowledge helpful discussions and editorial support from Emmanuelle Marquis, Michelle Hanenburg, Pratik P. Dholabhai, Quentin Ramasse, Robert Dickerson, and Maulik Patel. NR 30 TC 1 Z9 1 U1 0 U2 4 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0022-2461 EI 1573-4803 J9 J MATER SCI JI J. Mater. Sci. PD APR PY 2015 VL 50 IS 7 BP 2726 EP 2734 DI 10.1007/s10853-015-8824-4 PG 9 WC Materials Science, Multidisciplinary SC Materials Science GA CH3SI UT WOS:000353950200006 ER PT J AU Waxler, R Evers, LG Assink, J Blom, P AF Waxler, Roger Evers, Laslo G. Assink, Jelle Blom, Phillip TI The stratospheric arrival pair in infrasound propagation SO JOURNAL OF THE ACOUSTICAL SOCIETY OF AMERICA LA English DT Article ID LONG-RANGE PROPAGATION; TEMPERATURE; ATMOSPHERE; EXPLOSION; GRAVITY; SIGNALS AB The ideal case of a deep and well-formed stratospheric duct for long range infrasound propagation in the absence of tropospheric ducting is considered. A canonical form, that of a pair of arrivals, for ground returns of impulsive signals in a stratospheric duct is determined. The canonical form is derived from the geometrical acoustics approximation, and is validated and extended through full wave modeling. The full caustic structure of the field of ray paths is found and used to determine phase relations between the contributions to the wavetrain from different propagation paths. Finally, comparison with data collected from the 2005 fuel gas depot explosion in Buncefield, England is made. The correspondence between the theoretical results and the observations is shown to be quite good. (c) 2015 Acoustical Society of America. C1 [Waxler, Roger] Univ Mississippi, Natl Ctr Phys Acoust, University, MS 38677 USA. [Evers, Laslo G.] Royal Netherlands Meteorol Inst KNMI, Seismol Div, NL-3730 AE De Bilt, Netherlands. [Assink, Jelle] CEA, DAM, DIF, F-91297 Arpajon, France. [Blom, Phillip] Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA. [Evers, Laslo G.] Delft Univ Technol, Dept Geosci & Engn, Fac Civil Engn & Geosci, Delft, Netherlands. RP Waxler, R (reprint author), Univ Mississippi, Natl Ctr Phys Acoust, University, MS 38677 USA. EM rwax@olemiss.edu NR 24 TC 6 Z9 6 U1 0 U2 5 PU ACOUSTICAL SOC AMER AMER INST PHYSICS PI MELVILLE PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA SN 0001-4966 EI 1520-8524 J9 J ACOUST SOC AM JI J. Acoust. Soc. Am. PD APR PY 2015 VL 137 IS 4 BP 1846 EP 1856 DI 10.1121/1.4916718 PG 11 WC Acoustics; Audiology & Speech-Language Pathology SC Acoustics; Audiology & Speech-Language Pathology GA CG9QV UT WOS:000353653500041 PM 25920837 ER PT J AU Cerrone, A Stein, C Pokharel, R Hefferan, C Lind, J Tucker, H Suter, R Rollett, A Ingraffea, A AF Cerrone, Albert Stein, Clayton Pokharel, Reeju Hefferan, Christopher Lind, Jonathan Tucker, Harris Suter, Robert Rollett, Anthony Ingraffea, Anthony TI Implementation and verification of a microstructure-based capability for modeling microcrack nucleation in LSHR at room temperature SO MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING LA English DT Article DE micromechanics; nf-HEDM; crystal plasticity; LSHR; microcrack nucleation; nickel-based superalloy; finite-element method ID FATIGUE-CRACK INITIATION; ALUMINUM SINGLE CRYSTALS; HIGH-CYCLE FATIGUE; GRAIN-BOUNDARIES; TWIN BOUNDARIES; AUTOMATED-ANALYSIS; NICKEL; SLIP; PLASTICITY; ALLOY AB A microstructure-based capability for forecasting microcrack nucleation in the nickel-based superalloy LSHR is proposed, implemented, and partially verified. Specifically, gradient crystal plasticity is applied to finite-element models of the experimentally measured, 3D microstructure wherein a microcrack is known to have nucleated along a coherent Sigma 3 boundary. The framework is used to analyze this particular nucleation event and conduct an extensive grain boundary analysis study, the results of which underpin the importance that elastic anisotropy and coherency have in the localization of plastic slip. C1 [Cerrone, Albert; Ingraffea, Anthony] Cornell Univ, Sch Civil & Environm Engn, Ithaca, NY 14853 USA. [Stein, Clayton; Pokharel, Reeju; Tucker, Harris; Rollett, Anthony] Carnegie Mellon Univ, Dept Mat Sci & Engn, Pittsburgh, PA 15213 USA. [Hefferan, Christopher; Lind, Jonathan; Suter, Robert] Carnegie Mellon Univ, Dept Phys, Pittsburgh, PA 15213 USA. [Pokharel, Reeju] Los Alamos Natl Lab, Mat Sci & Technol Div, Los Alamos, NM 87544 USA. [Hefferan, Christopher] RJ Lee Grp, Monroeville, PA 15146 USA. [Lind, Jonathan] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Cerrone, A (reprint author), Cornell Univ, Sch Civil & Environm Engn, 642 Rhodes Hall, Ithaca, NY 14853 USA. EM arc247@cornell.edu RI Suter, Robert/P-2541-2014 OI Suter, Robert/0000-0002-0651-0437 FU Air Force Office of Scientific Research [FA9550-10-1-0213]; National Science Foundation; Ross-Tetelman Fellowship at Cornell University; DOE/BES [DESC0002001]; US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX This research was funded by the Air Force Office of Scientific Research under grant number FA9550-10-1-0213, supervised by Dr David Stargel. All computations were conducted on Texas Advanced Computing Center's cluster Stampede on allocation TG-MSS110031 provided by the XSEDE Science Gateways program and supported by the National Science Foundation. This research was also made possible by support from the Ross-Tetelman Fellowship at Cornell University. Work at CMU by Jonathan Lind, Reeju Pokharel and Robert Suter was supported by DOE/BES grant DESC0002001. Use of the Advanced Photon Source was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, under contract no. DE-AC02-06CH11357. Orientation maps in 3D were reconstructed using IceNine, a software implementation of [29] by S F Li. The authors acknowledge Professor Antoinette Maniatty and Dr Devin Pyle of RPI and GE Global Research Niskayuna (Lifing Lab) for assistance with and development of the crystal plasticity model. NR 77 TC 4 Z9 4 U1 0 U2 5 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0965-0393 EI 1361-651X J9 MODEL SIMUL MATER SC JI Model. Simul. Mater. Sci. Eng. PD APR PY 2015 VL 23 IS 3 AR 035006 DI 10.1088/0965-0393/23/3/035006 PG 31 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA CH3RM UT WOS:000353948000006 ER PT J AU Lieberman, EJ Rollett, AD Lebensohn, RA Kober, EM AF Lieberman, E. J. Rollett, A. D. Lebensohn, R. A. Kober, E. M. TI Calculation of grain boundary normals directly from 3D microstructure images SO MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING LA English DT Article DE grain boundaries; microstructure; image analysis; moment analysis ID 5 MACROSCOPIC PARAMETERS; POLYCRYSTALLINE MATERIALS; SECTIONS; MAGNESIA; ALUMINUM; COPPER AB The determination of grain boundary normals is an integral part of the characterization of grain boundaries in polycrystalline materials. These normal vectors are difficult to quantify due to the discretized nature of available microstructure characterization techniques. The most common method to determine grain boundary normals is by generating a surface mesh from an image of the microstructure, but this process can be slow, and is subject to smoothing issues. A new technique is proposed, utilizing first order Cartesian moments of binary indicator functions, to determine grain boundary normals directly from a voxelized microstructure image. To validate the accuracy of this technique, the surface normals obtained by the proposed method are compared to those generated by a surface meshing algorithm. Specifically, the local divergence between the surface normals obtained by different variants of the proposed technique and those generated from a surface mesh of a synthetic microstructure constructed using a marching cubes algorithm followed by Laplacian smoothing is quantified. Next, surface normals obtained with the proposed method from a measured 3D microstructure image of a Ni polycrystal are used to generate grain boundary character distributions (GBCD) for Sigma 3 and Sigma 9 boundaries, and compared to the GBCD generated using a surface mesh obtained from the same image. The results show that the proposed technique is an efficient and accurate method to determine voxelized fields of grain boundary normals. C1 [Lieberman, E. J.; Rollett, A. D.] Carnegie Mellon Univ, Dept Mat Sci & Engn, Pittsburgh, PA 15213 USA. [Lieberman, E. J.; Lebensohn, R. A.] Los Alamos Natl Lab, Mat Sci & Technol Div, Los Alamos, NM 87455 USA. [Kober, E. M.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87455 USA. RP Lieberman, EJ (reprint author), Carnegie Mellon Univ, Dept Mat Sci & Engn, 5000 Forbes Ave, Pittsburgh, PA 15213 USA. EM emk@lanl.gov RI Lebensohn, Ricardo/A-2494-2008; Rollett, Anthony/A-4096-2012; OI Lebensohn, Ricardo/0000-0002-3152-9105; Rollett, Anthony/0000-0003-4445-2191; Lieberman, Evan/0000-0001-5692-2635 FU Los Alamos National Laboratory's Directed Research and Development (LDRD-DR Project) [20140114DR]; Institute for Materials Science; US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX This work was supported by Los Alamos National Laboratory's Directed Research and Development (LDRD-DR Project 20140114DR) and the Institute for Materials Science. We thank C M Hefferan, S F Li, J Lind and R M Suter for sharing the Ni data set and for helpful discussions and assistance with interpretation. The data were collected at the Advanced Photon Source, which is supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences under contract number DE-AC02-06CH11357. NR 49 TC 4 Z9 4 U1 4 U2 10 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0965-0393 EI 1361-651X J9 MODEL SIMUL MATER SC JI Model. Simul. Mater. Sci. Eng. PD APR PY 2015 VL 23 IS 3 AR 035005 DI 10.1088/0965-0393/23/3/035005 PG 18 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA CH3RM UT WOS:000353948000005 ER PT J AU van Swol, F Zhou, XWW Challa, SR Martin, JE AF van Swol, Frank Zhou, Xiaowang W. Challa, Sivakumar R. Martin, James E. TI Heterojunctions of model CdTe/CdSe mixtures SO MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING LA English DT Article DE heterojunction; semiconductor; lattice mismatch ID NANOROD HETEROSTRUCTURES; STRAIN; NANOCRYSTALS AB We report on the strain behavior of compound mixtures of model group II-VI semiconductors. We use the Stillinger-Weber Hamiltonian that we recently introduced, specifically developed to model binary mixtures of group II-VI compounds such as CdTe and CdSe. We employ molecular dynamics simulations to examine the behavior of thin sheets of material, bilayers of CdTe and CdSe. The lattice mismatch between the two compounds leads to a strong bending of the entire sheet, with about a 0.5 to 1. deflection between neighboring planes. To analyze bilayer bending, we introduce a simple one-dimensional model and use energy minimization to find the angle of deflection. The analysis is equivalent to a least-squares straight line fit. We consider the effects of bilayers which are asymmetric with respect to the thickness of the CdTe and CdSe parts. From this we learn that the bending can be subdivided into four kinds depending on the compressive/tensile nature of each outer plane of the sheet. We use this approach to directly compare our findings with experimental results on the bending of CdTe/CdSe rods. To reduce the effects of the lattice mismatch we explore diffuse interfaces, where we mix (i.e. alloy) Te and Se, and estimate the strain response. C1 [van Swol, Frank; Zhou, Xiaowang W.; Martin, James E.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Challa, Sivakumar R.] Univ New Mexico, Chem & Biol Engn Dept, Albuquerque, NM 87131 USA. RP van Swol, F (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM fbvansw@sandia.gov FU United States Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering and Sandia's LDRD program; US Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX We are grateful to Dr James Miller for many helpful discussions and suggestions. This research was supported by the United States Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering and Sandia's LDRD program. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the US Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 11 TC 0 Z9 0 U1 5 U2 12 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0965-0393 EI 1361-651X J9 MODEL SIMUL MATER SC JI Model. Simul. Mater. Sci. Eng. PD APR PY 2015 VL 23 IS 3 AR 035007 DI 10.1088/0965-0393/23/3/035007 PG 11 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA CH3RM UT WOS:000353948000007 ER PT J AU Li, LS Chen-Wiegart, YCK Wang, JJ Gao, P Ding, Q Yu, YS Wang, F Cabana, J Wang, J Jin, S AF Li, Linsen Chen-Wiegart, Yu-chen Karen Wang, Jiajun Gao, Peng Ding, Qi Yu, Young-Sang Wang, Feng Cabana, Jordi Wang, Jun Jin, Song TI Visualization of electrochemically driven solid-state phase transformations using operando hard X-ray spectro-imaging SO NATURE COMMUNICATIONS LA English DT Article ID LITHIUM-ION BATTERY; METAL FLUORIDE NANOCOMPOSITES; IRON FLUORIDE; CONVERSION REACTIONS; LI BATTERIES; ELECTRODES; MICROSCOPY; INTERCALATION; DIFFRACTION; NANOSCALE AB In situ techniques with high temporal, spatial and chemical resolution are key to understand ubiquitous solid-state phase transformations, which are crucial to many technological applications. Hard X-ray spectro-imaging can visualize electrochemically driven phase transformations but demands considerably large samples with strong absorption signal so far. Here we show a conceptually new data analysis method to enable operando visualization of mechanistically relevant weakly absorbing samples at the nanoscale and study electrochemical reaction dynamics of iron fluoride, a promising high-capacity conversion cathode material. In two specially designed samples with distinctive microstructure and porosity, we observe homogeneous phase transformations during both discharge and charge, faster and more complete Li-storage occurring in porous polycrystalline iron fluoride, and further, incomplete charge reaction following a pathway different from conventional belief. These mechanistic insights provide guidelines for designing better conversion cathode materials to realize the promise of high-capacity lithium-ion batteries. C1 [Li, Linsen; Ding, Qi; Jin, Song] Univ Wisconsin, Dept Chem, Madison, WI 53706 USA. [Chen-Wiegart, Yu-chen Karen; Wang, Jiajun; Wang, Jun] Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA. [Gao, Peng; Wang, Feng] Brookhaven Natl Lab, Dept Sustainable Energy Technol, Upton, NY 11973 USA. [Yu, Young-Sang] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Yu, Young-Sang; Cabana, Jordi] Univ Illinois, Dept Chem, Chicago, IL 60607 USA. RP Jin, S (reprint author), Univ Wisconsin, Dept Chem, 1101 Univ Ave, Madison, WI 53706 USA. EM jin@chem.wisc.edu RI Jin, Song/B-4300-2008; Cabana, Jordi/G-6548-2012; wang, jiajun/H-5683-2016; Gao, Peng/B-4675-2012; Wang, Feng/C-1443-2016 OI Cabana, Jordi/0000-0002-2353-5986; Wang, Feng/0000-0003-4068-9212 FU NSF [DMR-1106184]; UW-Madison WEI Seed Grant; Research Corporation SciaLog Award; US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-98CH10886]; Laboratory Directed Research and Development (LDRD) program at Brookhaven National Laboratory; NorthEast Center for Chemical Energy Storage (NECCES), an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Basic Energy Sciences [DE-SC0012583] FX This research is supported by NSF grant DMR-1106184 for the synthesis and structural characterization of the materials, and the UW-Madison WEI Seed Grant and Research Corporation SciaLog Award for the X-ray spectro-imaging and electrochemical studies. The operando hard X-ray spectro-imaging experiments and XAS experiments were performed at beamline X8C and X18A, respectively, at the National Synchrotron Light Source, Brookhaven National Laboratory, which are supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences under Contract No. DE-AC02-98CH10886. P.G. and F.W. were supported by the Laboratory Directed Research and Development (LDRD) program at Brookhaven National Laboratory. J.C. and Y.-S.Y. were supported as part of the NorthEast Center for Chemical Energy Storage (NECCES), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences under Award # DE-SC0012583. L.L also thanks Vilas Research Travel Awards for partially supporting the travel to the synchrotron facilities. NR 48 TC 13 Z9 13 U1 21 U2 79 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD APR PY 2015 VL 6 AR 6883 DI 10.1038/ncomms7883 PG 8 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CH0IR UT WOS:000353703600005 PM 25892338 ER PT J AU Rogge, PC Thurmer, K Foster, ME McCarty, KF Dubon, OD Bartelt, NC AF Rogge, Paul C. Thuermer, Konrad Foster, Michael E. McCarty, Kevin F. Dubon, Oscar D. Bartelt, Norman C. TI Real-time observation of epitaxial graphene domain reorientation SO NATURE COMMUNICATIONS LA English DT Article ID CRYSTAL MONOLAYER GRAPHENE; GRAIN-BOUNDARIES; BORON-NITRIDE; COPPER FOILS; GROWTH; SYMMETRY AB Graphene films grown by vapour deposition tend to be polycrystalline due to the nucleation and growth of islands with different in-plane orientations. Here, using low-energy electron microscopy, we find that micron-sized graphene islands on Ir(111) rotate to a preferred orientation during thermal annealing. We observe three alignment mechanisms: the simultaneous growth of aligned domains and dissolution of rotated domains, that is, 'ripening'; domain boundary motion within islands; and continuous lattice rotation of entire domains. By measuring the relative growth velocity of domains during ripening, we estimate that the driving force for alignment is on the order of 0.1 meV per C atom and increases with rotation angle. A simple model of the orientation-dependent energy associated with the moire corrugation of the graphene sheet due to local variations in the graphene-substrate interaction reproduces the results. This work suggests new strategies for improving the van der Waals epitaxy of 2D materials. C1 [Rogge, Paul C.; Dubon, Oscar D.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Rogge, Paul C.; Dubon, Oscar D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Thuermer, Konrad; Foster, Michael E.; McCarty, Kevin F.; Bartelt, Norman C.] Sandia Natl Labs, Livermore, CA 94550 USA. RP Dubon, OD (reprint author), Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. EM oddubon@berkeley.edu; bartelt@sandia.gov RI Thurmer, Konrad/L-4699-2013 OI Thurmer, Konrad/0000-0002-3078-7372 FU Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, of the United States Department of Energy [De-Ac04-94AL85000]; NSF [DMR-1105541] FX This work was supported by the Director, Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, of the United States Department of Energy Contract No. De-Ac04-94AL85000 (S.N.L.) and by the NSF under Grant No. DMR-1105541 (O.D.D. and P.C.R.). NR 30 TC 3 Z9 3 U1 11 U2 80 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD APR PY 2015 VL 6 AR 6880 DI 10.1038/ncomms7880 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CH0IR UT WOS:000353703600002 PM 25892219 ER PT J AU Vogel, P Wen, LJ Zhang, C AF Vogel, P. Wen, L. J. Zhang, C. TI Neutrino oscillation studies with reactors SO NATURE COMMUNICATIONS LA English DT Review ID ANTINEUTRINO-INDUCED REACTIONS; NUCLEAR-POWER-REACTOR; FISSION-PRODUCTS; STERILE NEUTRINOS; CROSS-SECTION; SEARCH; SPECTRA; PU-239; U-235; MATTER AB Nuclear reactors are one of the most intense, pure, controllable, cost-effective and well-understood sources of neutrinos. Reactors have played a major role in the study of neutrino oscillations, a phenomenon that indicates that neutrinos have mass and that neutrino flavours are quantum mechanical mixtures. Over the past several decades, reactors were used in the discovery of neutrinos, were crucial in solving the solar neutrino puzzle, and allowed the determination of the smallest mixing angle theta(13). In the near future, reactors will help to determine the neutrino mass hierarchy and to solve the puzzling issue of sterile neutrinos. C1 [Vogel, P.] CALTECH, Kellogg Radiat Lab, Pasadena, CA 91125 USA. [Wen, L. J.] Inst High Energy Phys, Beijing 100049, Peoples R China. [Zhang, C.] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Zhang, C (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM chao@bnl.gov RI Wen, Liangjian/C-5113-2015; OI Wen, Liangjian/0000-0003-4541-9422; Zhang, Chao/0000-0003-2298-6272 FU Department of Energy [DE-SC0012704]; National Science Foundation [NSF-1205977]; Physics Department, California Institute of Technology; National Natural Science Foundation of China [11205183] FX We thank X. Qian, D. Jaffe, M. Diwan and S. Kettell for reading the manuscript. The work of C.Z. was supported in part by the Department of Energy under contracts DE-SC0012704. The work of P.V. was supported in part by the National Science Foundation NSF-1205977 and by the Physics Department, California Institute of Technology. The work of L.J.W. was supported in part by the National Natural Science Foundation of China (11205183). NR 128 TC 9 Z9 9 U1 2 U2 14 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD APR PY 2015 VL 6 AR 6935 DI 10.1038/ncomms7935 PG 12 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CH0IZ UT WOS:000353704400004 PM 25913819 ER PT J AU White, RR Milholland, B de Bruin, A Curran, S Laberge, RM van Steeg, H Campisi, J Maslov, AY Vijg, J AF White, Ryan R. Milholland, Brandon de Bruin, Alain Curran, Samuel Laberge, Remi-Martin van Steeg, Harry Campisi, Judith Maslov, Alexander Y. Vijg, Jan TI Controlled induction of DNA double-strand breaks in the mouse liver induces features of tissue ageing SO NATURE COMMUNICATIONS LA English DT Article ID INFLAMMATORY CYTOKINE SECRETION; GENE-EXPRESSION PROFILES; CELLULAR SENESCENCE; CALORIC RESTRICTION; CHILDHOOD-CANCER; DAMAGE RESPONSE; ADULT SURVIVORS; XPD(TTD) MICE; CELLS; HEPATOCYTES AB DNA damage has been implicated in ageing, but direct evidence for a causal relationship is lacking, owing to the difficulty of inducing defined DNA lesions in cells and tissues without simultaneously damaging other biomolecules and cellular structures. Here we directly test whether highly toxic DNA double-strand breaks (DSBs) alone can drive an ageing phenotype using an adenovirus-based system based on tetracycline-controlled expression of the SacI restriction enzyme. We deliver the adenovirus to mice and compare molecular and cellular end points in the liver with normally aged animals. Treated, 3-month-old mice display many, but not all signs of normal liver ageing as early as 1 month after treatment, including ageing pathologies, markers of senescence, fused mitochondria and alterations in gene expression profiles. These results, showing that DSBs alone can cause distinct ageing phenotypes in mouse liver, provide new insights in the role of DNA damage as a driver of tissue ageing. C1 [White, Ryan R.; Milholland, Brandon; Maslov, Alexander Y.; Vijg, Jan] Albert Einstein Coll Med, Dept Genet, Bronx, NY 10461 USA. [de Bruin, Alain] Univ Utrecht, Dutch Mol Pathol Ctr, Dept Pathobiol, Fac Vet Med, NL-3584 CL Utrecht, Netherlands. [Curran, Samuel; Laberge, Remi-Martin; Campisi, Judith] Buck Inst Res Aging, Novato, CA 94945 USA. [van Steeg, Harry] Natl Inst Publ Hlth & Environm RIVM, NL-3721 MA Bilthoven, Netherlands. [Campisi, Judith] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP White, RR (reprint author), Albert Einstein Coll Med, Dept Genet, 1301 Morris Pk Ave, Bronx, NY 10461 USA. EM ryan.white@phd.einstein.yu.edu; jan.vijg@einstein.yu.edu FU National Institutes of Health [AG17242]; Ellison Medical Foundation; Glenn Foundation; Sue Golding Graduate Division of the Albert Einstein College of Medicine; Albert Einstein College of Medicine Human Genome Program Pilot project grant; Einstein-Nathan Shock Center of Excellence Pilot and feasibility grant [5P30AG038072-05] FX This work was supported by the National Institutes of Health grant AG17242, the Ellison Medical Foundation, the Glenn Foundation, the Sue Golding Graduate Division of the Albert Einstein College of Medicine, and by the Albert Einstein College of Medicine Human Genome Program Pilot project grant (AYM) and the Einstein-Nathan Shock Center of Excellence Pilot and feasibility grant 5P30AG038072-05 (AYM). We thank Dr Rani Sellers and the Histopathology Core, Dr Shahina Maqbool and the Epigenomics Core, Dr Cristina Montagna and the Molecular Cytogenetics Core and the Analytical Imaging Facility of the Albert Einstein College of Medicine for their help and suggestions. We are also grateful to Dr Sameh Youssef of the Dutch Molecular Pathology Center, Faculty of Veterinary Medicine, for performing the lipofuscin analysis. We also thank Brent Calder for his assistance with the analysis of the RNA-seq results and Dr Tao Wang for assistance and recommendations in biostatistics. NR 61 TC 19 Z9 19 U1 2 U2 8 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD APR PY 2015 VL 6 AR 6790 DI 10.1038/ncomms7790 PG 11 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CH0IH UT WOS:000353702500030 PM 25858675 ER PT J AU Zhu, C Han, TYJ Duoss, EB Golobic, AM Kuntz, JD Spadaccini, CM Worsley, MA AF Zhu, Cheng Han, T. Yong-Jin Duoss, Eric B. Golobic, Alexandra M. Kuntz, Joshua D. Spadaccini, Christopher M. Worsley, Marcus A. TI Highly compressible 3D periodic graphene aerogel microlattices SO NATURE COMMUNICATIONS LA English DT Article ID HIGH-SURFACE-AREA; 3-DIMENSIONAL ARCHITECTURES; POLYMER NANOCOMPOSITES; MECHANICAL-PROPERTIES; ELASTIC-MODULUS; OXIDE; FABRICATION; ULTRALIGHT; CONDUCTIVITY; TRANSPARENT AB Graphene is a two-dimensional material that offers a unique combination of low density, exceptional mechanical properties, large surface area and excellent electrical conductivity. Recent progress has produced bulk 3D assemblies of graphene, such as graphene aerogels, but they possess purely stochastic porous networks, which limit their performance compared with the potential of an engineered architecture. Here we report the fabrication of periodic graphene aerogel microlattices, possessing an engineered architecture via a 3D printing technique known as direct ink writing. The 3D printed graphene aerogels are lightweight, highly conductive and exhibit supercompressibility (up to 90% compressive strain). Moreover, the Young's moduli of the 3D printed graphene aerogels show an order of magnitude improvement over bulk graphene materials with comparable geometric density and possess large surface areas. Adapting the 3D printing technique to graphene aerogels realizes the possibility of fabricating a myriad of complex aerogel architectures for a broad range of applications. C1 [Zhu, Cheng; Han, T. Yong-Jin; Duoss, Eric B.; Golobic, Alexandra M.; Kuntz, Joshua D.; Spadaccini, Christopher M.; Worsley, Marcus A.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Worsley, MA (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. EM worsley1@llnl.gov RI ZHU, CHENG/J-4692-2016; OI Worsley, Marcus/0000-0002-8012-7727 FU Lawrence Livermore National Laboratory under US Department of Energy [DE-AC52-07NA27344]; LDRD [14-SI-004, 13-LW-099] FX This work was supported by Lawrence Livermore National Laboratory under the auspices of the US Department of Energy under Contract DE-AC52-07NA27344, through LDRD award 14-SI-004 and 13-LW-099. We thank Tim Ford for optical image acquisition. NR 58 TC 80 Z9 82 U1 112 U2 508 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD APR PY 2015 VL 6 AR 6962 DI 10.1038/ncomms7962 PG 8 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CH0JC UT WOS:000353704700014 PM 25902277 ER PT J AU Yang, CY Hougaard, CR Bielejec, E Caroll, MS Jamieson, DN AF Yang, Changyi Hougaard, Christiaan R. Bielejec, Edward Caroll, Malcolm S. Jamieson, David N. TI Geiger mode mapping: A new imaging modality for focused ion microprobes SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article; Proceedings Paper CT 14th International Conference on Nuclear Microprobe Technology and Applications (ICNMTA) / Workshop on Proton Beam Writing CY JUL 07-11, 2014 CL Padova, ITALY SP Ist Nazl Fis Nucl DE Ion beam induced charge; Nuclear microprobe technology; Geiger mode; Avalanche photo detector ID QUANTUM KEY DISTRIBUTION; NOISE READOUT CIRCUIT; AVALANCHE PHOTODIODE; SILICON; SYSTEM AB Geiger mode detectors fabricated in silicon are used to detect incident photons with high sensitivity. They are operated with large internal electric fields so that a single electron-hole pair can trigger an avalanche breakdown which generates a signal in an external circuit. We have applied a modified version of the ion beam induced charge technique in a nuclear microprobe system to investigate the application of Geiger mode detectors to detect discrete ion impacts. Our detectors are fabricated with,an architecture based on the avalanche diode structure and operated with a transient bias voltage that activates the Geiger mode. In this mode avalanche breakdown is triggered by ion impact followed by diffusion of an electron-hole pair into the sensitive volume. The avalanche breakdown is quenched by removal of the transient bias voltage which is synchronized with a beam gate. An alternative operation mode is possible at lower bias voltages where the avalanche process self-quenches and the device exhibits linear charge gain as a consequence. Incorporation of such a device into a silicon substrate potentially allows the exceptional sensitivity of Geiger mode to register an electron-hole pair from sub-10 keV donor atom implants for the deterministic construction of shallow arrays of single atoms in the substrate required for emerging quantum technologies. Our characterization system incorporates a fast electrostatic ion beam switcher gated by the transient device bias, duration 800 ns, with a time delay, duration 500 ns, that allows for both the ion time of flight and the diffusion of the electron-hole pairs in the substrate into the sensitive region of the device following ion impact of a scanned 1 MeV H microbeam. We compare images at the micron scale mapping the response of the device to ion impact operated in both Geiger mode and avalanche (linear) mode for silicon devices engineered with this ultimate-sensitivity detector structure. (C) 2014 Elsevier B.V. All rights reserved. C1 [Yang, Changyi; Hougaard, Christiaan R.; Jamieson, David N.] Univ Melbourne, Sch Phys, ARC Ctr Quantum Computat & Commun Technol, Parkville, Vic 3010, Australia. [Bielejec, Edward; Caroll, Malcolm S.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Jamieson, DN (reprint author), Univ Melbourne, Sch Phys, ARC Ctr Quantum Computat & Commun Technol, Parkville, Vic 3010, Australia. EM djamieson@unimelb.edu.au RI Jamieson, David/G-3753-2010; OI Jamieson, David/0000-0001-7733-6715 NR 22 TC 0 Z9 0 U1 0 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-583X EI 1872-9584 J9 NUCL INSTRUM METH B JI Nucl. Instrum. Methods Phys. Res. Sect. B-Beam Interact. Mater. Atoms PD APR 1 PY 2015 VL 348 BP 73 EP 78 DI 10.1016/j.nimb.2014.12.040 PG 6 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA CH6IS UT WOS:000354140900015 ER PT J AU Marchetta, CM Devine, OJ Crider, KS Tsang, BL Cordero, AM Qi, YP Guo, J Berry, RJ Rosenthal, J Mulinare, J Mersereau, P Hamner, HC AF Marchetta, Claire M. Devine, Owen J. Crider, Krista S. Tsang, Becky L. Cordero, Amy M. Qi, Yan Ping Guo, Jing Berry, Robert J. Rosenthal, Jorge Mulinare, Joseph Mersereau, Patricia Hamner, Heather C. TI Assessing the Association between Natural Food Folate Intake and Blood Folate Concentrations: A Systematic Review and Bayesian Meta-Analysis of Trials and Observational Studies SO NUTRIENTS LA English DT Article ID NEURAL-TUBE DEFECTS; FOLIC-ACID SUPPLEMENTATION; TOTAL HOMOCYSTEINE LEVELS; DISEASE RISK-FACTORS; BIO-RAD RADIOASSAY; YOUNG-WOMEN; METHYLENETETRAHYDROFOLATE REDUCTASE; CHILDBEARING AGE; DIETARY-FOLATE; NUTRITIONAL-STATUS AB Folate is found naturally in foods or as synthetic folic acid in dietary supplements and fortified foods. Adequate periconceptional folic acid intake can prevent neural tube defects. Folate intake impacts blood folate concentration; however, the dose-response between natural food folate and blood folate concentrations has not been well described. We estimated this association among healthy females. A systematic literature review identified studies (1 1992-3 2014) with both natural food folate intake alone and blood folate concentration among females aged 12-49 years. Bayesian methods were used to estimate regression model parameters describing the association between natural food folate intake and subsequent blood folate concentration. Seven controlled trials and 29 observational studies met the inclusion criteria. For the six studies using microbiologic assay (MA) included in the meta-analysis, we estimate that a 6% (95% Credible Interval (CrI): 4%, 9%) increase in red blood cell (RBC) folate concentration and a 7% (95% CrI: 1%, 12%) increase in serum/plasma folate concentration can occur for every 10% increase in natural food folate intake. Using modeled results, we estimate that a natural food folate intake of >= 450 mu g dietary folate equivalents (DFE)/day could achieve the lower bound of an RBC folate concentration (~1050 nmol/L) associated with the lowest risk of a neural tube defect. Natural food folate intake affects blood folate concentration and adequate intakes could help women achieve a RBC folate concentration associated with a risk of 6 neural tube defects/10,000 live births. C1 [Marchetta, Claire M.; Tsang, Becky L.; Qi, Yan Ping] Oak Ridge Inst Sci & Educ ORISE, Oak Ridge, TN 37831 USA. [Devine, Owen J.; Mulinare, Joseph] Carter Consulting Inc, Atlanta, GA 30345 USA. [Crider, Krista S.; Cordero, Amy M.; Berry, Robert J.; Rosenthal, Jorge] Ctr Dis Control & Prevent, Div Birth Defects & Dev Disabil DBDDD, Natl Ctr Birth Defects & Dev Disabil NCBDDD, Atlanta, GA 30329 USA. [Guo, Jing] Acentia, Falls Church, VA 22042 USA. [Mersereau, Patricia] SciMetrika LLC, Atlanta, GA 30329 USA. [Hamner, Heather C.] Ctr Dis Control & Prevent, Div Nutr Phys Act & Obes DNPAO, Natl Ctr Chron Dis Prevent & Hlth Promot NCCDPHP, Atlanta, GA 30329 USA. RP Hamner, HC (reprint author), Ctr Dis Control & Prevent, Div Nutr Phys Act & Obes DNPAO, Natl Ctr Chron Dis Prevent & Hlth Promot NCCDPHP, Atlanta, GA 30329 USA. EM claire.marchetta@gmail.com; ojd1@cdc.gov; kvc3@cdc.gov; bltsang@gmail.com; iqt8@cdc.gov; rv7@cdc.gov; shashagj@gmail.com; rjb1@cdc.gov; jyr4@cdc.gov; jxm1@cdc.gov; pmersereau@comcast.net; hfc2@cdc.gov OI Berry, Robert/0000-0002-7162-5046 NR 78 TC 2 Z9 3 U1 2 U2 3 PU MDPI AG PI BASEL PA POSTFACH, CH-4005 BASEL, SWITZERLAND SN 2072-6643 J9 NUTRIENTS JI Nutrients PD APR PY 2015 VL 7 IS 4 BP 2663 EP 2686 DI 10.3390/nu7042663 PG 24 WC Nutrition & Dietetics SC Nutrition & Dietetics GA CH0KY UT WOS:000353709800035 PM 25867949 ER PT J AU Lan, W Lu, FC Regner, M Zhu, YM Rencoret, J Ralph, SA Zakai, UI Morreel, K Boerjan, W Ralph, J AF Lan, Wu Lu, Fachuang Regner, Matthew Zhu, Yimin Rencoret, Jorge Ralph, Sally A. Zakai, Uzma I. Morreel, Kris Boerjan, Wout Ralph, John TI Tricin, a Flavonoid Monomer in Monocot Lignification SO PLANT PHYSIOLOGY LA English DT Article ID LIGNIN MODEL COMPOUNDS; WHEAT-STRAW; COUPLING REACTIONS; BIOMIMETIC ROUTE; OXIDE OXIDATION; ERYTHRO RATIOS; NMR METHOD; ALCOHOL; FLAVONOLIGNANS; BIOSYNTHESIS AB Tricin was recently discovered in lignin preparations from wheat (Triticum aestivum) straw and subsequently in all monocot samples examined. To provide proof that tricin is involved in lignification and establish the mechanism by which it incorporates into the lignin polymer, the 4'-O- beta-coupling products of tricin with the monolignols (p-coumaryl, coniferyl, and sinapyl alcohols) were synthesized along with the trimer that would result from its 4'-O-beta-couplingwith sinapyl alcohol and then coniferyl alcohol. Tricin was also found to cross couple with monolignols to form tricin-(4'-O-beta)-linked dimers in biomimetic oxidations using peroxidase/hydrogen peroxide or silver (I) oxide. Nuclear magnetic resonance characterization of gel permeation chromatography-fractionated acetylated maize (Zeamays) lignin revealed that the tricin moieties are found in even the highest molecular weight fractions, ether linked to lignin units, demonstrating that tricin is indeed incorporated into the lignin polymer. These findings suggest that tricin is fully compatible with lignification reactions, is an authentic lignin monomer, and, because it can only start a lignin chain, functions as a nucleation site for lignification in monocots. This initiation role helps resolve a long-standing dilemma that monocot lignin chains do not appear to be initiated by monolignol homodehydrodimerization as they are in dicots that have similar syringyl-guaiacyl compositions. The term flavonolignin is recommended for the racemic oligomers and polymers of monolignols that start from tricin (or incorporate other flavonoids) in the cell wall, in analogy with the existing term flavonolignan that is used for the low-molecular mass compounds composed of flavonoid and lignan moieties. C1 [Lan, Wu; Lu, Fachuang; Regner, Matthew; Zhu, Yimin; Rencoret, Jorge; Zakai, Uzma I.; Ralph, John] Univ Wisconsin, Wisconsin Energy Inst, Great Lakes Bioenergy Res Ctr, Dept Energy, Madison, WI 53726 USA. [Lan, Wu; Ralph, John] Univ Wisconsin, Dept Biol Syst Engn, Madison, WI 53726 USA. [Lu, Fachuang; Regner, Matthew; Ralph, John] Univ Wisconsin, Dept Biochem, Madison, WI 53726 USA. [Ralph, Sally A.] US Forest Serv, Forest Prod Lab, Madison, WI 53726 USA. [Morreel, Kris; Boerjan, Wout] Univ Ghent, Dept Plant Syst Biol, Vlaams Inst Biotechnol, B-9052 Ghent, Belgium. [Morreel, Kris; Boerjan, Wout] Univ Ghent, Dept Plant Biotechnol & Bioinformat, B-9052 Ghent, Belgium. RP Lu, FC (reprint author), Univ Wisconsin, Wisconsin Energy Inst, Great Lakes Bioenergy Res Ctr, Dept Energy, Madison, WI 53726 USA. EM fachuanglu@wisc.edu; jralph@wisc.edu RI RENCORET, JORGE/E-1747-2013; OI RENCORET, JORGE/0000-0003-2728-7331; Boerjan, Wout/0000-0003-1495-510X FU Department of Energy Great Lakes Bioenergy Research Center [DE-FC02-07ER64494]; Ghent University [01MRB510W] FX This work was supported by the Department of Energy Great Lakes Bioenergy Research Center (grant no. DE-FC02-07ER64494) and the Multidisciplinary Research Partnership Biotechnology for a Sustainable Economy (grant no. 01MRB510W) of Ghent University. NR 60 TC 36 Z9 37 U1 9 U2 82 PU AMER SOC PLANT BIOLOGISTS PI ROCKVILLE PA 15501 MONONA DRIVE, ROCKVILLE, MD 20855 USA SN 0032-0889 EI 1532-2548 J9 PLANT PHYSIOL JI Plant Physiol. PD APR PY 2015 VL 167 IS 4 BP 1284 EP U265 DI 10.1104/pp.114.253757 PG 22 WC Plant Sciences SC Plant Sciences GA CI0PC UT WOS:000354438500008 PM 25667313 ER PT J AU Choi, S Shin, SH Lee, J Min, K Choi, H AF Choi, Seungmok Shin, Seung-Hyup Lee, Jeongwoo Min, Kyoungdoug Choi, Hoimyung TI The effects of the combustion chamber geometry and a double-row nozzle on the diesel engine emissions SO PROCEEDINGS OF THE INSTITUTION OF MECHANICAL ENGINEERS PART D-JOURNAL OF AUTOMOBILE ENGINEERING LA English DT Article DE Diesel engine emissions; combustion chamber geometry; double-row nozzle; boost pressure; exhaust gas recirculation (EGR) ID GROUP-HOLE NOZZLE; MIXTURE PROPERTIES; SPRAY AB This paper presents how injector nozzle distributions and the combustion chamber geometry affect the emission characteristics of diesel engines. The number of nozzle holes was increased from seven to 12 by a using double-row nozzle distribution to enhance the air-fuel mixing and the spatial distribution of the spray while avoiding spray overlap. The combustion chamber geometry was modified to have a wide shallow two-step bowl, which ensured adequate spray penetration with the double-row nozzle, to observe the influence of the spray-piston interaction on the combustion and emissions. Three hardware combinations (a seven-hole single-row nozzle with a conventional piston, a 12-hole double-row nozzle with a conventional piston, and a two-step piston) were tested in a single-cylinder direct-injection diesel engine under three boost and exhaust gas recirculation conditions. The injection timing was adjusted to result in a similar power by maintaining 50% of the total fuel mass fraction burned points for each hardware combination. For a conventional boost pressure (1.10 bar) and 30% exhaust gas recirculation, the 12-hole double-row nozzle with a conventional piston exhibited the best emission characteristics with a significant reduction in the particulate matter emissions. For a high boost pressure (1.30 bar) and 30% conventional exhaust gas recirculation, the nitrogen oxide emissions slightly increased and the particulate matter emissions decreased for the 12-hole double-row nozzle with a conventional piston compared with those for the seven-hole single-row nozzle. The two-step piston resulted in decreased particulate matter emissions but increased nitrogen oxide emissions under a high boost pressure. For 60% high exhaust gas recirculation, which is characterized by low-temperature combustion, the particulate matter emissions, the carbon monoxide emissions, and the total hydrocarbon emissions decreased simultaneously without an increase in the nitrogen oxide emissions using the 12-hole double-row nozzle with a two-step piston. C1 [Choi, Seungmok] Argonne Natl Lab, Transportat Technol R&D Ctr, Lemont, IL USA. [Shin, Seung-Hyup; Lee, Jeongwoo; Min, Kyoungdoug] Seoul Natl Univ, Sch Mech & Aerosp Engn, Seoul 151742, South Korea. [Choi, Hoimyung] Adv Inst Convergence Technol, Suwon, Gyeonggi Do, South Korea. RP Min, K (reprint author), Seoul Natl Univ, 599 Gwanak Ro, Seoul 151742, South Korea. EM kdmin@snu.ac.kr FU second stage of the Brain Korea 21 Project; Institute of Advanced Machinery and Design, Seoul National University, Republic of Korea FX This work was supported by the second stage of the Brain Korea 21 Project and the Institute of Advanced Machinery and Design, Seoul National University, Republic of Korea. NR 16 TC 1 Z9 1 U1 2 U2 8 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 0954-4070 EI 2041-2991 J9 P I MECH ENG D-J AUT JI Proc. Inst. Mech. Eng. Part D-J. Automob. Eng. PD APR PY 2015 VL 229 IS 5 BP 590 EP 598 DI 10.1177/0954407014547748 PG 9 WC Engineering, Mechanical; Transportation Science & Technology SC Engineering; Transportation GA CH4ES UT WOS:000353986400005 ER PT J AU Allen, DK Bates, PD Tjellstrom, H AF Allen, Doug K. Bates, Philip D. Tjellstroem, Henrik TI Tracking the metabolic pulse of plant lipid production with isotopic labeling and flux analyses: Past, present and future SO PROGRESS IN LIPID RESEARCH LA English DT Review DE Metabolic flux analysis; Isotopic labeling; Acyl editing; Central metabolism; Mass spectrometry ID FATTY-ACID SYNTHESIS; TANDEM MASS-SPECTROMETRY; HETEROTROPHIC ARABIDOPSIS CELLS; DEVELOPING SOYBEAN COTYLEDONS; BIDIRECTIONAL REACTION STEPS; BRASSICA-NAPUS EMBRYOS; ACYL CARRIER PROTEIN; GLYCEROL-3-PHOSPHATE ACYLTRANSFERASE ACTIVITY; CENTRAL CARBOHYDRATE-METABOLISM; DEVELOPING SAFFLOWER SEEDS AB Metabolism is comprised of networks of chemical transformations, organized into integrated biochemical pathways that are the basis of cellular operation, and function to sustain life. Metabolism, and thus life, is not static. The rate of metabolites transitioning through biochemical pathways (i.e., flux) determines cellular phenotypes, and is constantly changing in response to genetic or environmental perturbations. Each change evokes a response in metabolic pathway flow, and the quantification of fluxes under varied conditions helps to elucidate major and minor routes, and regulatory aspects of metabolism. To measure fluxes requires experimental methods that assess the movements and transformations of metabolites without creating artifacts. Isotopic labeling fills this role and is a long-standing experimental approach to identify pathways and quantify their metabolic relevance in different tissues or under different conditions. The application of labeling techniques to plant science is however far from reaching it potential. In light of advances in genetics and molecular biology that provide a means to alter metabolism, and given recent improvements in instrumentation, computational tools and available isotopes, the use of isotopic labeling to probe metabolism is becoming more and more powerful. We review the principal analytical methods for isotopic labeling with a focus on seminal studies of pathways and fluxes in lipid metabolism and carbon partitioning through central metabolism. Central carbon metabolic steps are directly linked to lipid production by serving to generate the precursors for fatty acid biosynthesis and lipid assembly. Additionally some of the ideas for labeling techniques that may be most applicable for lipid metabolism in the future were originally developed to investigate other aspects of central metabolism. We conclude by describing recent advances that will play an important future role in quantifying flux and metabolic operation in plant tissues. Published by Elsevier Ltd. C1 [Allen, Doug K.] ARS, USDA, St Louis, MO 63132 USA. [Allen, Doug K.] Donald Danforth Plant Sci Ctr, St Louis, MO 63132 USA. [Bates, Philip D.] Univ So Mississippi, Dept Chem & Biochem, Hattiesburg, MS 39406 USA. [Tjellstroem, Henrik] Michigan State Univ, Dept Plant Biol, E Lansing, MI 48824 USA. [Tjellstroem, Henrik] Michigan State Univ, Great Lakes Bioenergy Res Ctr, E Lansing, MI 48824 USA. RP Allen, DK (reprint author), ARS, USDA, Donald Danforth Plant Sci Ctr, 975 North Watson Rd, St Louis, MO 63132 USA. EM doug.allen@ars.usda.gov RI Bates, Philip/I-7550-2013; Allen, Doug/M-2836-2013 OI Bates, Philip/0000-0002-1291-3363; Allen, Doug/0000-0001-8599-8946 FU Department of Energy [DE-AR0000202]; Great Lakes Bioenergy Research Center [DE-FC02-07ER64494]; National Science Foundation [EF-1105249]; USDA-ARS FX We gratefully acknowledge conversations with Drs. John Ohlrogge and Jan Jaworski on topics related to the review and its revision. Work in the authors' labs was supported by a Department of Energy grant (DE-AR0000202; D.K.A.) and the Great Lakes Bioenergy Research Center Cooperative Agreement (DE-FC02-07ER64494; H.T.), the National Science Foundation (EF-1105249; D.K.A.), and the USDA-ARS. Any product or trademark mentioned here does not imply a warranty, guarantee, or endorsement by the authors or their affiliations over other suitable products. NR 332 TC 15 Z9 15 U1 3 U2 37 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0163-7827 J9 PROG LIPID RES JI Prog. Lipid Res. PD APR PY 2015 VL 58 BP 97 EP 120 DI 10.1016/j.plipres.2015.02.002 PG 24 WC Biochemistry & Molecular Biology; Nutrition & Dietetics SC Biochemistry & Molecular Biology; Nutrition & Dietetics GA CH6JH UT WOS:000354142400007 PM 25773881 ER PT J AU McDonnell, AMP Lam, PJ Lamborg, CH Buesseler, KO Sanders, R Riley, JS Marsay, C Smith, HEK Sargent, EC Lampitt, RS Bishop, JKB AF McDonnell, Andrew M. P. Lam, Phoebe J. Lamborg, Carl H. Buesseler, Ken O. Sanders, Richard Riley, Jennifer S. Marsay, Chris Smith, Helen E. K. Sargent, Elizabeth C. Lampitt, Richard S. Bishop, James K. B. TI The oceanographic toolbox for the collection of sinking and suspended marine particles SO PROGRESS IN OCEANOGRAPHY LA English DT Review ID PARTICULATE ORGANIC-MATTER; NORTH PACIFIC-OCEAN; SOUTH CHINA SEA; TETHERED SEDIMENT TRAPS; MIGRATING DIATOM MATS; ATLANTIC TIME-SERIES; NEAR-SURFACE WATERS; IN-SITU PUMPS; TRACE-ELEMENTS; NEUTRALLY BUOYANT AB Marine particles play a central role in controlling the transport, cycling, and inventories of many major elements and trace elements and isotopes throughout the oceans. Studies seeking to elucidate the biogeochemical roles of marine particles often require reliable ways to collect them from the ocean. Here, we review the oceanographic toolbox of techniques and instrumentation that are employed to collect both suspended and sinking particles. With these tools, it is possible to determine both the concentrations and vertical fluxes of important elements and individual particle types. We describe the various methods for quantifying the concentrations of particulate matter with in situ pumps, towed sampling devices, bottle collectors, and large volume capture devices. The uses of various types of flux collection platforms are discussed including surface tethered, neutrally buoyant, and bottom moored devices. We address the issues of sediment trap collection biases and the apparent inconsistencies that can arise due to differences in the temporal and spatial scales sampled by the various methodologies. Special attention is given to collection considerations made for the analysis of trace metals and isotopes, as these methodologies are of high importance to the ongoing GEOTRACES program which seeks to identify the processes and quantify fluxes that control the distributions of key trace elements and isotopes in the ocean. With the emergence of new particle collection methodologies and the continued reliance on traditional collection methods, it is imperative that we combine these multiple approaches in ways that will help improve their accuracy and precision while enhancing their utility in advancing understanding of the biogeochemical and ecological roles of marine particles. (C) 2015 Elsevier Ltd. All rights reserved. C1 [McDonnell, Andrew M. P.] Univ Alaska, Sch Fisheries & Ocean Sci, Fairbanks, AK 99775 USA. [McDonnell, Andrew M. P.] ETH, Inst Biogeochem & Pollutant Dynam, CH-8092 Zurich, Switzerland. [Lam, Phoebe J.; Lamborg, Carl H.; Buesseler, Ken O.] Woods Hole Oceanog Inst, Dept Marine Chem & Geochem, Woods Hole, MA 02543 USA. [Sanders, Richard; Riley, Jennifer S.; Marsay, Chris; Smith, Helen E. K.; Sargent, Elizabeth C.; Lampitt, Richard S.] Natl Oceanog Ctr Southampton, Southampton SO14 3ZH, Hants, England. [Smith, Helen E. K.; Sargent, Elizabeth C.] Univ Southampton, Natl Oceanog Ctr Southampton, Southampton SO14 3ZH, Hants, England. [Bishop, James K. B.] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. [Bishop, James K. B.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP McDonnell, AMP (reprint author), Univ Alaska, Sch Fisheries & Ocean Sci, 905 N Koyukuk Dr, Fairbanks, AK 99775 USA. EM amcdonnell@alaska.edu RI Sanders, Richard/B-8717-2012; OI Marsay, Christopher/0000-0003-1244-0444 FU ESF COST Action ES0801, "The ocean chemistry of bioactive trace elements and paleoproxies"; SCOR, through U.S. National Science Foundation [OCE-0938349, OCE-1243377]; U.S. NSF [OCE-0963026] FX This paper arose from a workshop that was co-sponsored by ESF COST Action ES0801, "The ocean chemistry of bioactive trace elements and paleoproxies". Additional support for that workshop came from SCOR, through support to SCOR from the U.S. National Science Foundation (Grant OCE-0938349 and OCE-1243377). Additional support was from U.S. NSF Grant OCE-0963026 to P.J.L. We are thankful far the detailed input of one anonymous reviewer. NR 134 TC 10 Z9 10 U1 13 U2 62 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0079-6611 J9 PROG OCEANOGR JI Prog. Oceanogr. PD APR PY 2015 VL 133 SI SI BP 17 EP 31 DI 10.1016/j.pocean.2015.01.007 PG 15 WC Oceanography SC Oceanography GA CH9FP UT WOS:000354341700003 ER PT J AU Akin, MC Nguyen, JH AF Akin, M. C. Nguyen, J. H. TI Practical uncertainty reduction and quantification in shock physics measurements SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID EQUATION-OF-STATE; SOUND VELOCITIES; EARTHS CORE; COMPRESSION; PRESSURE; IRON; GPA; TEMPERATURE; MOLYBDENUM; PLATINUM AB We report the development of a simple error analysis sampling method for identifying intersections and inflection points to reduce total uncertainty in experimental data. This technique was used to reduce uncertainties in sound speed measurements by 80% over conventional methods. Here, we focused on its impact on a previously published set of Mo sound speed data and possible implications for phase transition and geophysical studies. However, this technique's application can be extended to a wide range of experimental data. (C) 2015 AIP Publishing LLC. C1 [Akin, M. C.; Nguyen, J. H.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Akin, MC (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM akin1@llnl.gov FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX We thank our collaborators on the sound speed studies, Paul Asimow, Oleg Fat'yanov, Ricky Chau, W. Pat Ambrose, and Neil Holmes, for useful discussions that refined this method, and our reviewer and editor, for their thoughtful comments, which improved this paper. We also thank Papo Gelle, Mike Long, Mike Burns, Toni Bulai, Russ Oliver, Bob Nafzinger, Paul Benevento, Sam Weaver, Neal Hinsey, Mark Owens, and Cory McLean for their dedicated effort. This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344. This document was prepared as an account of work sponsored by an agency of the United States government. Neither the United States government nor Lawrence Livermore National Security, LLC, nor any of their employees makes any warranty, expressed or implied, or assumes any legal liability or 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 trade name, trademark, manufacturer, or otherwise does not necessarily constitute or imply its endorsement, recommendation, or favoring by the United States government or Lawrence Livermore National Security, LLC. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States government or Lawrence Livermore National Security, LLC, and shall not be used for advertising or product endorsement purposes. NR 27 TC 1 Z9 1 U1 1 U2 5 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD APR PY 2015 VL 86 IS 4 AR 043903 DI 10.1063/1.4917555 PG 8 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA CH2EE UT WOS:000353837700034 PM 25933867 ER PT J AU Albertazzi, B d'Humieres, E Lancia, L Dervieux, V Antici, P Bocker, J Bonlie, J Breil, J Cauble, B Chen, SN Feugeas, JL Nakatsutsumi, M Nicolai, P Romagnani, L Shepherd, R Sentoku, Y Swantusch, M Tikhonchuk, VT Borghesi, M Willi, O Pepin, H Fuchs, J AF Albertazzi, B. d'Humieres, E. Lancia, L. Dervieux, V. Antici, P. Boecker, J. Bonlie, J. Breil, J. Cauble, B. Chen, S. N. Feugeas, J. L. Nakatsutsumi, M. Nicolai, P. Romagnani, L. Shepherd, R. Sentoku, Y. Swantusch, M. Tikhonchuk, V. T. Borghesi, M. Willi, O. Pepin, H. Fuchs, J. TI A compact broadband ion beam focusing device based on laser-driven megagauss thermoelectric magnetic fields SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID ACCELERATED PROTON-BEAMS; PLASMAS; SIMULATIONS; TARGETS AB Ultra-intense lasers can nowadays routinely accelerate kiloampere ion beams. These unique sources of particle beams could impact many societal (e.g., proton-therapy or fuel recycling) and fundamental (e.g., neutron probing) domains. However, this requires overcoming the beam angular divergence at the source. This has been attempted, either with large-scale conventional setups or with compact plasma techniques that however have the restriction of short (<1 mm) focusing distances or a chromatic behavior. Here, we show that exploiting laser-triggered, long-lasting (>50 ps), thermoelectric multi-megagauss surface magnetic (B)-fields, compact capturing, and focusing of a diverging laser-driven multi-MeV ion beam can be achieved over a wide range of ion energies in the limit of a 5 degrees acceptance angle. (C) 2015 AIP Publishing LLC. C1 [Albertazzi, B.; Dervieux, V.; Chen, S. N.; Nakatsutsumi, M.; Romagnani, L.; Fuchs, J.] UPMC, Ecole Polytech, CNRS, LULI,CEA, F-91128 Palaiseau, France. [Albertazzi, B.; Pepin, H.] INRS EMT, Varennes, PQ J3X 1S2, Canada. [Albertazzi, B.] Osaka Univ, Grad Sch Engn, Suita, Osaka 565087, Japan. [d'Humieres, E.; Breil, J.; Feugeas, J. L.; Nicolai, P.; Tikhonchuk, V. T.] Univ Bordeaux, CELIA, F-33405 Talence, France. [d'Humieres, E.; Sentoku, Y.] Univ Nevada, Dept Phys, Reno, NV 89557 USA. [Lancia, L.; Antici, P.] Univ Roma La Sapienza, Dipartimento SBAI, I-00161 Rome, Italy. [Boecker, J.; Swantusch, M.; Willi, O.] Univ Dusseldorf, Inst Laser & Plasmaphys, D-40225 Dusseldorf, Germany. [Bonlie, J.; Cauble, B.; Chen, S. N.; Shepherd, R.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Borghesi, M.] Queens Univ Belfast, Sch Phys & Astron, Belfast BT7 1NN, Antrim, North Ireland. RP Albertazzi, B (reprint author), UPMC, Ecole Polytech, CNRS, LULI,CEA, F-91128 Palaiseau, France. EM bruno.albertazzi@polytechnique.edu; Julien.fuchs@polytechnique.fr RI Fuchs, Julien/D-3450-2016; Sentoku, Yasuhiko/P-5419-2014 OI Fuchs, Julien/0000-0001-9765-0787; FU Region Ile-de-France [E1127]; National Science Foundation [1064468]; ELAM grant from the Triangle de la Physique RTRA network; ULIMAC grant from the Triangle de la Physique RTRA network; NSERC from Canada [26558-2007 RGPIN]; Agence Nationale de la Recherche [ANR-11-IDEX-0004-02]; LASERLAB-EUROPE (EC's Seventh Framework Programme) [284464]; EPSRC [EP/K022415/1]; EURATOM; Aquitaine Regional Council; [001528] FX We acknowledge the expert support of the LLNL teams. This work was supported by grant E1127 from Region Ile-de-France, by the National Science Foundation, Grant No. 1064468, ELAM and ULIMAC grants from the Triangle de la Physique RTRA network, and by NSERC Discovery Grant No. 26558-2007 RGPIN from Canada. O.W. would like to acknowledge DFG Programme GRK 1203. This work was partly done within the LABEX Plas@Par project and received financial state aid managed by the Agence Nationale de la Recherche, as part of the program "Investissements d'avenir" under the reference ANR-11-IDEX-0004-02. The research leading to these results has also received funding from LASERLAB-EUROPE (Grant Agreement No. 284464, EC's Seventh Framework Programme), Grant No. 001528, and from EPSRC, Grant No. EP/K022415/1. This work is also partly supported by the EURATOM within the "Keep-in-Touch" activities and the Aquitaine Regional Council. NR 46 TC 2 Z9 2 U1 4 U2 18 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD APR PY 2015 VL 86 IS 4 AR 043502 DI 10.1063/1.4917273 PG 6 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA CH2EE UT WOS:000353837700024 PM 25933857 ER PT J AU Ali, SJ Bolme, CA Collins, GW Jeanloz, R AF Ali, S. J. Bolme, C. A. Collins, G. W. Jeanloz, R. TI Development of a broadband reflectivity diagnostic for laser driven shock compression experiments SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID TRANSIENT ABSORPTION-SPECTROSCOPY; ULTRAFAST DYNAMIC ELLIPSOMETRY; PHASE-TRANSITION; HIGH-PRESSURE; WAVE COMPRESSION; GERMANIUM; SUPERCONTINUUM; SEMICONDUCTORS; SILICON; PULSE AB A normal-incidence visible and near-infrared shock wave optical reflectivity diagnostic was constructed to investigate changes in the optical properties of materials under dynamic laser compression. Documenting wavelength-and time-dependent changes in the optical properties of laser-shock compressed samples has been difficult, primarily due to the small sample sizes and short time scales involved, but we succeeded in doing so by broadening a series of time delayed 800-nm pulses from an ultrafast Ti:sapphire laser to generate high-intensity broadband light at nanosecond time scales. This diagnostic was demonstrated over the wavelength range 450-1150 nm with up to 16 time displaced spectra during a single shock experiment. Simultaneous off-normal incidence velocity interferometry (velocity interferometer system for any reflector) characterized the sample under laser-compression and also provided an independent reflectivity measurement at 532 nm wavelength. The shock-driven semiconductor-to-metallic transition in germanium was documented by the way of reflectivity measurements with 0.5 ns time resolution and a wavelength resolution of 10 nm. (C) 2015 AIP Publishing LLC. C1 [Ali, S. J.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Ali, S. J.; Collins, G. W.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Bolme, C. A.] Los Alamos Natl Lab, Shock & Detonat Phys, Los Alamos, NM 87545 USA. [Jeanloz, R.] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. RP Ali, SJ (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. RI Ali, Suzanne Jihad/B-8329-2017; OI Ali, Suzanne Jihad/0000-0003-1823-3788; Bolme, Cynthia/0000-0002-1880-271X FU Livermore Graduate Scholars Program; U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX S.J.A. is funded through the Livermore Graduate Scholars Program. The researchers would like to thank technical staff at the Jupiter Laser Facility for invaluable support in conducting this experiment and J. Eggert, R. Smith, and P. Celliers for advice with regards to data analysis. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344. NR 44 TC 0 Z9 0 U1 4 U2 22 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD APR PY 2015 VL 86 IS 4 AR 043112 DI 10.1063/1.4917195 PG 6 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA CH2EE UT WOS:000353837700013 PM 25933846 ER PT J AU Beechem, T Yates, L Graham, S AF Beechem, Thomas Yates, Luke Graham, Samuel TI Invited Review Article: Error and uncertainty in Raman thermal conductivity measurements SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID TEMPERATURE-DEPENDENT RAMAN; ULTRATHIN GRAPHITE; GRAPHENE; SPECTROSCOPY; SCATTERING; TRANSPORT; LAYERS; GAN AB Error and uncertainty in Raman thermal conductivity measurements are investigated via finite element based numerical simulation of two geometries often employed-Joule-heating of a wire and laser-heating of a suspended wafer. Using this methodology, the accuracy and precision of the Raman-derived thermal conductivity are shown to depend on (1) assumptions within the analytical model used in the deduction of thermal conductivity, (2) uncertainty in the quantification of heat flux and temperature, and (3) the evolution of thermomechanical stress during testing. Apart from the influence of stress, errors of 5% coupled with uncertainties of +/- 15% are achievable for most materials under conditions typical of Raman thermometry experiments. Error can increase to >20%, however, for materials having highly temperature dependent thermal conductivities or, in some materials, when thermomechanical stress develops concurrent with the heating. A dimensionless parameter-termed the Raman stress factor-is derived to identify when stress effects will induce large levels of error. Taken together, the results compare the utility of Raman based conductivity measurements relative to more established techniques while at the same time identifying situations where its use is most efficacious. (C) 2015 AIP Publishing LLC. C1 [Beechem, Thomas; Yates, Luke] Sandia Natl Labs, Albuquerque, NM 87123 USA. [Yates, Luke; Graham, Samuel] Georgia Inst Technol, George W Woodruff Sch Mech Engn, Atlanta, GA 30332 USA. RP Beechem, T (reprint author), Sandia Natl Labs, Albuquerque, NM 87123 USA. EM tebeech@sandia.gov FU LDRD program at Sandia National Laboratories (SNL); US DOE National Nuclear Security Administration [DE-AC04-94AL85000] FX Critical review of this work by Justin Serrano and Colin Landon of Sandia National Laboratories is greatly appreciated. This work was supported by the LDRD program at Sandia National Laboratories (SNL). Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the US DOE National Nuclear Security Administration under Contract No. DE-AC04-94AL85000. NR 43 TC 6 Z9 6 U1 5 U2 43 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD APR PY 2015 VL 86 IS 4 AR 041101 DI 10.1063/1.4918623 PG 11 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA CH2EE UT WOS:000353837700001 PM 25933834 ER PT J AU Danly, CR Day, TH Fittinghoff, DN Herrmann, H Izumi, N Kim, YH Martinez, JI Merrill, FE Schmidt, DW Simpson, RA Volegov, PL Wilde, CH AF Danly, C. R. Day, T. H. Fittinghoff, D. N. Herrmann, H. Izumi, N. Kim, Y. H. Martinez, J. I. Merrill, F. E. Schmidt, D. W. Simpson, R. A. Volegov, P. L. Wilde, C. H. TI Simultaneous neutron and x-ray imaging of inertial confinement fusion experiments along a single line of sight at Omega SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article AB Neutron and x-ray imaging provide critical information about the geometry and hydrodynamics of inertial confinement fusion implosions. However, existing diagnostics at Omega and the National Ignition Facility (NIF) cannot produce images in both neutrons and x-rays along the same line of sight. This leads to difficulty comparing these images, which capture different parts of the plasma geometry, for the asymmetric implosions seen in present experiments. Further, even when opposing port neutron and x-ray images are available, they use different detectors and cannot provide positive information about the relative positions of the neutron and x-ray sources. A technique has been demonstrated on implosions at Omega that can capture x-ray images along the same line of sight as the neutron images. The technique is described, and data from a set of experiments are presented, along with a discussion of techniques for coregistration of the various images. It is concluded that the technique is viable and could provide valuable information if implemented on NIF in the near future. (C) 2015 AIP Publishing LLC. C1 [Danly, C. R.; Day, T. H.; Herrmann, H.; Kim, Y. H.; Martinez, J. I.; Merrill, F. E.; Schmidt, D. W.; Simpson, R. A.; Volegov, P. L.; Wilde, C. H.] Los Alamos Natl Lab, Los Alamos, NM 87544 USA. [Fittinghoff, D. N.; Izumi, N.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Danly, CR (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87544 USA. RI IZUMI, Nobuhiko/J-8487-2016 OI IZUMI, Nobuhiko/0000-0003-1114-597X FU Department of Energy through NNSA Campaign [10] FX The authors wish to thank V. E. Fatherley and J. A. Oertel for engineering support of the pinhole construction and J. A. Frenje and A. B. Zylstra from the MIT PSFC for their help with the CR-39 processing. The asymmetric drive configurations used were copied from previous experiments by V. Y. Glebov of LLE. C. Stoeckl of LLE provided NTD analysis. This work was funded by the Department of Energy through NNSA Campaign 10. NR 11 TC 4 Z9 4 U1 0 U2 7 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD APR PY 2015 VL 86 IS 4 AR 043503 DI 10.1063/1.4918285 PG 6 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA CH2EE UT WOS:000353837700025 PM 25933858 ER PT J AU Grills, DC Farrington, JA Layne, BH Preses, JM Bernstein, HJ Wishart, JF AF Grills, David C. Farrington, Jaime A. Layne, Bobby H. Preses, Jack M. Bernstein, Herbert J. Wishart, James F. TI Development of nanosecond time-resolved infrared detection at the LEAF pulse radiolysis facility SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID RESONANCE RAMAN; CO2 REDUCTION; IONIC LIQUID; VIBRATIONAL SPECTROSCOPY; BETA-CAROTENE; RADIATION; KINETICS; IR; CHEMISTRY; SPECTRA AB When coupled with transient absorption spectroscopy, pulse radiolysis, which utilizes high-energy electron pulses from an accelerator, is a powerful tool for investigating the kinetics and thermodynamics of a wide range of radiation-induced redox and electron transfer processes. The majority of these investigations detect transient species in the UV, visible, or near-IR spectral regions. Unfortunately, the often-broad and featureless absorption bands in these regions can make the definitive identification of intermediates difficult. Time-resolved vibrational spectroscopy would offer much improved structural characterization, but has received only limited application in pulse radiolysis. In this paper, we describe in detail the development of a unique nanosecond time-resolved infrared (TRIR) detection capability for condensed-phase pulse radiolysis on a new beam line at the LEAF facility of Brookhaven National Laboratory. The system makes use of a suite of high-power, continuous wave external-cavity quantum cascade lasers as the IR probe source, with coverage from 2330 to 1051 cm(-1). The response time of the TRIR detection setup is similar to 40 ns, with a typical sensitivity of similar to 100 mu OD after 4-8 signal averages using a dual-beam probe/reference normalization detection scheme. This new detection method has enabled mechanistic investigations of a range of radiation-induced chemical processes, some of which are highlighted here. (C) 2015 AIP Publishing LLC. C1 [Grills, David C.; Farrington, Jaime A.; Layne, Bobby H.; Preses, Jack M.; Wishart, James F.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Bernstein, Herbert J.] Dowling Coll, Dept Math & Comp Sci, Shirley, NY 11967 USA. RP Grills, DC (reprint author), Brookhaven Natl Lab, Dept Chem, POB 5000, Upton, NY 11973 USA. EM dcgrills@bnl.gov RI Wishart, James/L-6303-2013; Grills, David/F-7196-2016; OI Wishart, James/0000-0002-0488-7636; Grills, David/0000-0001-8349-9158; Bernstein, Herbert J/0000-0002-0517-8532 FU US Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences (CSGB) [DE-AC02-98CH10886, DE-SC0012704]; DOE CSGB Division; BNL; BNL Diversity Office FX This work, and use of the LEAF Facility of the BNL Accelerator Center for Energy Research, was supported by the US Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences (CSGB) under Contract Nos. DE-AC02-98CH10886 and DE-SC0012704. We are grateful to the DOE CSGB Division for FY2010 supplemental capital equipment funding for the addition of the new beam line at LEAF and the purchase of several EC-QCLs, and to BNL for Program Development funds for supporting a postdoctoral fellow (J.A.F.) and the purchase of lower-value equipment necessary for the installation. We also thank the BNL Diversity Office for partial support of J.A.F. We thank Advanced Energy Systems, Inc. (Medford, NY) for their cooperation in the construction of the new beam line. The authors thank Dr. Tomoyasu Mani and Dr. John R. Miller of BNL for their participation in the experiments on ion pairing, and Mr. Hiro Minamimoto and Professor Susumu Kuwabata and Tetsuya Tsuda of Osaka University for the sample of BuVyim NTf2 used to produce Figure 6. NR 37 TC 5 Z9 5 U1 3 U2 23 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD APR PY 2015 VL 86 IS 4 AR 044102 DI 10.1063/1.4918728 PG 10 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA CH2EE UT WOS:000353837700038 PM 25933871 ER PT J AU Harding, EC Ao, T Bailey, JE Loisel, G Sinars, DB Geissel, M Rochau, GA Smith, IC AF Harding, E. C. Ao, T. Bailey, J. E. Loisel, G. Sinars, D. B. Geissel, M. Rochau, G. A. Smith, I. C. TI Analysis and implementation of a space resolving spherical crystal spectrometer for x-ray Thomson scattering experiments SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID MICROSCOPY TECHNIQUES; SPATIAL-RESOLUTION; DENSITY PLASMAS; BENT CRYSTALS; LASER; REFLECTION; SYSTEM; MATTER AB The application of a space-resolving spectrometer to X-ray Thomson Scattering (XRTS) experiments has the potential to advance the study of warm dense matter. This has motivated the design of a spherical crystal spectrometer, which is a doubly focusing geometry with an overall high sensitivity and the capability of providing high-resolution, space-resolved spectra. A detailed analysis of the image fluence and crystal throughput in this geometry is carried out and analytical estimates of these quantities are presented. This analysis informed the design of a new spectrometer intended for future XRTS experiments on the Z-machine. The new spectrometer collects 6 keV x-rays with a spherically bent Ge (422) crystal and focuses the collected x-rays onto the Rowland circle. The spectrometer was built and then tested with a foam target. The resulting high-quality spectra prove that a spherical spectrometer is a viable diagnostic for XRTS experiments. (C) 2015 AIP Publishing LLC. C1 [Harding, E. C.; Ao, T.; Bailey, J. E.; Loisel, G.; Sinars, D. B.; Geissel, M.; Rochau, G. A.; Smith, I. C.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Harding, EC (reprint author), Sandia Natl Labs, Albuquerque, NM 87185 USA. OI Geissel, Matthias/0000-0002-6207-7615 FU U.S. Department of Energy's National Nuclear Securities Administration [DE-AC04-94AL85000]; LDRD program at Sandia [141540] FX The authors would like to thank E. J. Gamboa and M. Schollmeier for many valuable discussions. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the U.S. Department of Energy's National Nuclear Securities Administration under Contract No. DE-AC04-94AL85000. Funding of this work was through the LDRD program at Sandia (Project No. 141540). NR 38 TC 7 Z9 7 U1 1 U2 5 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD APR PY 2015 VL 86 IS 4 AR 043504 DI 10.1063/1.4918619 PG 13 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA CH2EE UT WOS:000353837700026 PM 25933859 ER PT J AU Baca, JT Severns, V Lovato, D Branch, DW Larson, RS AF Baca, Justin T. Severns, Virginia Lovato, Debbie Branch, Darren W. Larson, Richard S. TI Rapid Detection of Ebola Virus with a Reagent-Free, Point-of-Care Biosensor SO SENSORS LA English DT Article ID DISEASE; CHALLENGES; OUTBREAK AB Surface acoustic wave (SAW) sensors can rapidly detect Ebola antigens at the point-of-care without the need for added reagents, sample processing, or specialized personnel. This preliminary study demonstrates SAW biosensor detection of the Ebola virus in a concentration-dependent manner. The detection limit with this methodology is below the average level of viremia detected on the first day of symptoms by PCR. We observe a log-linear sensor response for highly fragmented Ebola viral particles, with a detection limit corresponding to 1.9 x 10(4) PFU/mL prior to virus inactivation. We predict greatly improved sensitivity for intact, infectious Ebola virus. This point-of-care methodology has the potential to detect Ebola viremia prior to symptom onset, greatly enabling infection control and rapid treatment. This biosensor platform is powered by disposable AA batteries and can be rapidly adapted to detect other emerging diseases in austere conditions. C1 [Baca, Justin T.] Univ New Mexico, Sch Med, Dept Emergency Med, Albuquerque, NM 87131 USA. [Severns, Virginia; Lovato, Debbie; Larson, Richard S.] Univ New Mexico, Sch Med, Dept Pathol, Albuquerque, NM 87131 USA. [Branch, Darren W.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Baca, JT (reprint author), Univ New Mexico, Sch Med, Dept Emergency Med, Albuquerque, NM 87131 USA. EM JTBaca@salud.unm.edu; VSeverns@salud.unm.edu; DLovato@salud.unm.edu; dwbranc@sandia.gov; RLarson@salud.unm.edu FU NIH-NCATS [8KL2TR000089-03]; University of New Mexico FX We thank Stephen Jett of the UNM Electron Microscopy Shared Facility for assistance with TEM. The following reagent was obtained through BEI Resources, NIAID, NIH: Zaire Ebolavirus, Mayinga, Gamma-Irradiated, NR-31807. The following reagent was obtained from the Department of Defense Critical Reagents Program (CRP) via BEI Resources, DD-24 Ebolavirus, AB-EB-MAB1 anti-Ebola virus monoclonal antibody 1. We acknowledge support from NIH-NCATS grant 8KL2TR000089-03; Clinical and Translational Science Award, University of New Mexico. NR 23 TC 7 Z9 7 U1 0 U2 18 PU MDPI AG PI BASEL PA POSTFACH, CH-4005 BASEL, SWITZERLAND SN 1424-8220 J9 SENSORS-BASEL JI Sensors PD APR PY 2015 VL 15 IS 4 BP 8605 EP 8614 DI 10.3390/s150408605 PG 10 WC Chemistry, Analytical; Electrochemistry; Instruments & Instrumentation SC Chemistry; Electrochemistry; Instruments & Instrumentation GA CH7SE UT WOS:000354236100081 PM 25875186 ER PT J AU Tobiska, WK Atwell, W Beck, P Benton, E Copeland, K Dyer, C Gersey, B Getley, I Hands, A Holland, M Hong, S Hwang, J Jones, B Malone, K Meier, MM Mertens, C Phillips, T Ryden, K Schwadron, N Wender, SA Wilkins, R Xapsos, MA AF Tobiska, W. Kent Atwell, William Beck, Peter Benton, Eric Copeland, Kyle Dyer, Clive Gersey, Brad Getley, Ian Hands, Alex Holland, Michael Hong, Sunhak Hwang, Junga Jones, Bryn Malone, Kathleen Meier, Matthias M. Mertens, Chris Phillips, Tony Ryden, Keith Schwadron, Nathan Wender, Stephen A. Wilkins, Richard Xapsos, Michael A. TI Advances in Atmospheric Radiation Measurements and Modeling Needed to Improve Air Safety SO SPACE WEATHER-THE INTERNATIONAL JOURNAL OF RESEARCH AND APPLICATIONS LA English DT Article ID SINGLE EVENT UPSET; AVIATION ALTITUDES; ENERGETIC PARTICLES; AIRCRAFT ALTITUDES; DOSE-EQUIVALENT; SOLAR STORM; COSMIC-RAYS; EXPOSURE; NEUTRONS; ENVIRONMENT AB Air safety is tied to the phenomenon of ionizing radiation from space weather, primarily from galactic cosmic rays but also from solar energetic particles. A global framework for addressing radiation issues in this environment has been constructed, but more must be done at international and national levels. Health consequences from atmospheric radiation exposure are likely to exist. In addition, severe solar radiation events may cause economic consequences in the international aviation community due to exposure limits being reached by some crew members. Impacts from a radiation environment upon avionics from high-energy particles and low-energy, thermalized neutrons are now recognized as an area of active interest. A broad community recognizes that there are a number of mitigation paths that can be taken relative to the human tissue and avionics exposure risks. These include developing active monitoring and measurement programs as well as improving scientific modeling capabilities that can eventually be turned into operations. A number of roadblocks to risk mitigation still exist, such as effective pilot training programs as well as monitoring, measuring, and regulatory measures. An active international effort toward observing the weather of atmospheric radiation must occur to make progress in mitigating radiation exposure risks. Stakeholders in this process include standard-making bodies, scientific organizations, regulatory organizations, air traffic management systems, aircraft owners and operators, pilots and crew, and even the public. C1 [Tobiska, W. Kent] Space Environm Technol, Pacific Palisades, CA 90272 USA. [Atwell, William] Space Environm Technol, Houston, TX USA. [Beck, Peter] Radiat Hardness Assurance & Space Weather Radiat, Seibersdorf, Austria. [Benton, Eric] Oklahoma State Univ, Dept Phys, Stillwater, OK 74078 USA. [Copeland, Kyle] FAA, Civil Aerosp Med Inst, Oklahoma City, OK USA. [Dyer, Clive; Hands, Alex] Univ Surrey, Surrey Space Ctr, Guildford GU2 5XH, Surrey, England. [Gersey, Brad] Prairie View A&M Univ, Dept Elect & Comp Engn, Radiat Dosimetry, Prairie View, TX USA. [Getley, Ian] Univ New S Wales, Dept Aviat, Sydney, NSW, Australia. [Holland, Michael; Malone, Kathleen] Allied Pilots Assoc, Aeromed Comm, Washington, DC USA. [Hong, Sunhak] Natl Radio Res Agcy, Korean Space Weather Ctr, Jeju, South Korea. [Hwang, Junga] Korea Univ Sci & Technol, Korea Astron & Space Sci Inst, Taejon, South Korea. [Hwang, Junga] Korea Univ Sci & Technol, Dept Astron & Space Sci, Taejon, South Korea. [Jones, Bryn] SolarMetrics, Guildford, Surrey, England. [Meier, Matthias M.] Deutsch Zentrum Luft & Raumfahrt eV, DLR, Cologne, Germany. [Mertens, Chris] NASA, Langley Res Ctr, Hampton, VA 23665 USA. [Phillips, Tony] Spaceweather Com, Aspendell, CA USA. [Ryden, Keith] Univ Surrey, Surrey Space Ctr, Space Engn Space Environm & Effects, Guildford GU2 5XH, Surrey, England. [Schwadron, Nathan] Univ New Hampshire, Dept Phys, Durham, NH 03824 USA. [Wender, Stephen A.] Los Alamos Natl Lab, Los Alamos, NM USA. [Wilkins, Richard] Prairie View A&M Univ, Dept Elect & Comp Engn, Prairie View, TX USA. [Xapsos, Michael A.] NASA, Goddard Space Flight Ctr, Radiat Effects & Anal Grp, Greenbelt, MD 20771 USA. RP Tobiska, WK (reprint author), Space Environm Technol, Pacific Palisades, CA 90272 USA. EM ktobis-ka@spacenvironment.net OI Meier, Matthias/0000-0003-0918-6473; Wender, Stephen/0000-0002-2446-5115 FU AGU FX Our authors and co-authors support the data access policy of the AGU and regularly provide data for furthering scientific research related to the aviation radiation environment. References cited herein may contain data links that are of interest to the reader. NR 63 TC 8 Z9 8 U1 1 U2 15 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 1542-7390 J9 SPACE WEATHER JI Space Weather PD APR PY 2015 VL 13 IS 4 BP 202 EP 210 DI 10.1002/2015SW001169 PG 9 WC Astronomy & Astrophysics; Geochemistry & Geophysics; Meteorology & Atmospheric Sciences SC Astronomy & Astrophysics; Geochemistry & Geophysics; Meteorology & Atmospheric Sciences GA CI0YD UT WOS:000354465000002 ER PT J AU Denton, MH Thomsen, MF Jordanova, VK Henderson, MG Borovsky, JE Denton, JS Pitchford, D Hartley, DP AF Denton, M. H. Thomsen, M. F. Jordanova, V. K. Henderson, M. G. Borovsky, J. E. Denton, J. S. Pitchford, D. Hartley, D. P. TI An empirical model of electron and ion fluxes derived from observations at geosynchronous orbit SO SPACE WEATHER-THE INTERNATIONAL JOURNAL OF RESEARCH AND APPLICATIONS LA English DT Article ID LOW-ENERGY ELECTRONS; PLASMA SHEET ACCESS; SOLAR-WIND; INNER MAGNETOSPHERE; SPACECRAFT; EVOLUTION; VARIABILITY; FIELD AB Knowledge of the plasma fluxes at geosynchronous orbit is important to both scientific and operational investigations. We present a new empirical model of the ion flux and the electron flux at geosynchronous orbit (GEO) in the energy range similar to 1 eV to similar to 40 keV. The model is based on a total of 82 satellite years of observations from the magnetospheric plasma analyzer instruments on Los Alamos National Laboratory satellites at GEO. These data are assigned to a fixed grid of 24 local times and 40 energies, at all possible values of Kp. Bilinear interpolation is used between grid points to provide the ion flux and the electron flux values at any energy and local time, and for given values of geomagnetic activity (proxied by the 3h Kp index), and also for given values of solar activity (proxied by the daily F-10.7 index). Initial comparison of the electron flux from the model with data from a Compact Environmental Anomaly Sensor II, also located at geosynchronous orbit, indicates a good match during both quiet and disturbed periods. The model is available for distribution as a FORTRAN code that can be modified to suit user requirements. C1 [Denton, M. H.; Borovsky, J. E.] Space Sci Inst, Ctr Space Plasma Phys, Boulder, CO 80301 USA. [Thomsen, M. F.] Planetary Sci Inst, Tucson, AZ USA. [Jordanova, V. K.; Henderson, M. G.] Los Alamos Natl Lab, ISR 1, Los Alamos, NM USA. [Denton, J. S.] Sellafield Ltd, Analyt Serv, Seascale, England. [Pitchford, D.] SES Engn, Betzdorf, Luxembourg. [Hartley, D. P.] Univ Lancaster, Dept Phys, Lancaster, England. RP Denton, MH (reprint author), Space Sci Inst, Ctr Space Plasma Phys, Boulder, CO 80301 USA. EM mdenton@spacescience.org RI Henderson, Michael/A-3948-2011; OI Henderson, Michael/0000-0003-4975-9029; Hartley, David/0000-0001-8630-8054; Denton, Michael/0000-0002-1748-3710 FU U.S. Department of Energy; Los Alamos Laboratory Directed Research and Development (LDRD) program FX The authors gratefully acknowledge the OMNI database for the solar wind and geophysical parameters used in this study. LANL/MPA data and work at LANL were performed under the auspices of the U.S. Department of Energy with support from the Los Alamos Laboratory Directed Research and Development (LDRD) program. MPA data are available by contacting the MPA PI, Mike Henderson, at mghenderson@lanl.gov. A beta version of the model is available by contacting M.H.D. at mdenton@spacescience.org. NR 59 TC 4 Z9 4 U1 2 U2 9 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 1542-7390 J9 SPACE WEATHER JI Space Weather PD APR PY 2015 VL 13 IS 4 BP 233 EP 249 DI 10.1002/2015SW001168 PG 17 WC Astronomy & Astrophysics; Geochemistry & Geophysics; Meteorology & Atmospheric Sciences SC Astronomy & Astrophysics; Geochemistry & Geophysics; Meteorology & Atmospheric Sciences GA CI0YD UT WOS:000354465000005 ER PT J AU Canfield, PC AF Canfield, Paul C. TI Commentary: The Hash House Harriers and the winding path to materials discovery SO APL MATERIALS LA English DT Article ID SUPERCONDUCTIVITY; CRYSTALS; GROWTH; PHASE; FE AB Materials science research can be both very demanding and extremely rewarding. In this Commentary, in my own research of new electronic and magnetic materials, I give numerous exemplars of the path followed to materials discovery. I also highlight the parallels between my research experiences with the pastime of running. I hope that my thoughts will help guide junior researchers along the often tortuous and exciting path to new materials and that I can teach them to be open minded and persistent about following new lines of discovery. "No-pain, no-gain" applies to many things in life, running and scientific research being just two examples, but I hope in the case of scientific research that I can convince you the gain normally outweighs the pain. (C) 2015 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License. C1 Iowa State Univ, Ames Lab, Dept Phys & Astron, Ames, IA 50011 USA. RP Canfield, PC (reprint author), Iowa State Univ, Ames Lab, Dept Phys & Astron, Ames, IA 50011 USA. FU U.S. Department of Energy, Office of Basic Energy Science, Division of Materials Sciences and Engineering [DE-AC02-07CH11358]; Gordon and Betty Moore Foundation EPiQS initiative [GBMF4411] FX Iwould like thank U.S. Department of Energy, Office of Basic Energy Science, Division of Materials Sciences and Engineering (Contract No. DE-AC02-07CH11358) for supporting and encouraging such jogs over the decades. In addition, I would like to thank the Gordon and Betty Moore Foundation EPiQS initiative (Grant No. GBMF4411) for helping a new group of joggers to suit up. NR 22 TC 1 Z9 1 U1 0 U2 9 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 2166-532X J9 APL MATER JI APL Mater. PD APR PY 2015 VL 3 IS 4 AR 041001 DI 10.1063/1.4917192 PG 4 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Physics GA CH2BH UT WOS:000353828400003 ER PT J AU Casto, LD Clune, AJ Yokosuk, MO Musfeldt, JL Williams, TJ Zhuang, HL Lin, MW Xiao, K Hennig, RG Sales, BC Yan, JQ Mandrus, D AF Casto, L. D. Clune, A. J. Yokosuk, M. O. Musfeldt, J. L. Williams, T. J. Zhuang, H. L. Lin, M. -W. Xiao, K. Hennig, R. G. Sales, B. C. Yan, J. -Q. Mandrus, D. TI Strong spin-lattice coupling in CrSiTe3 SO APL MATERIALS LA English DT Article ID CHROMIUM HEXATELLUROSILICATE CR2SI2TE6; TRANSITION-METAL DICHALCOGENIDES; AUGMENTED-WAVE METHOD; SUPEREXCHANGE INTERACTION; THERMOELECTRIC-MATERIALS; EXCHANGE INTERACTION; CRYSTAL-STRUCTURE; COMPOUND; BEHAVIOR; PHASE AB CrSiTe3 has attracted recent interest as a candidate single-layer ferromagnetic semiconductor, but relatively little is known about the bulk properties of this material. Here, we report single-crystal X-ray diffraction, magnetic properties, thermal conductivity, vibrational, and optical spectroscopies and compare our findings with complementary electronic structure and lattice dynamics principles calculations. The high temperature paramagnetic phase is characterized by strong spin-lattice interactions that give rise to glassy behavior, negative thermal expansion, and an optical response that reveals that CrSiTe3 is an indirect gap semiconductor with indirect and direct band gaps at 0.4 and 1.2 eV, respectively. Measurements of the phonons across the 33 K ferromagnetic transition provide additional evidence for strong coupling between the magnetic and lattice degrees of freedom. The Si-Te stretching and Te displacement modes are sensitive to the magnetic ordering transition, a finding that we discuss in terms of the superexchange mechanism. Spin-lattice coupling constants are also extracted. (C) 2015 Author(s). C1 [Casto, L. D.; Clune, A. J.; Yokosuk, M. O.; Musfeldt, J. L.] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. [Williams, T. J.] Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA. [Zhuang, H. L.; Lin, M. -W.; Xiao, K.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Hennig, R. G.] Univ Florida, Dept Mat Sci & Engn, Gainesville, FL 32611 USA. [Sales, B. C.; Yan, J. -Q.; Mandrus, D.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Yan, J. -Q.; Mandrus, D.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. RP Casto, LD (reprint author), Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. RI Zhuang, Houlong/D-8801-2014; Hennig, Richard/A-2978-2008; Williams, Travis/A-5061-2016; OI Zhuang, Houlong/0000-0002-3845-4601; Hennig, Richard/0000-0003-4933-7686; Williams, Travis/0000-0003-3212-2726; Casto, Laura/0000-0003-0493-4241; Xiao, Kai /0000-0002-0402-8276 FU NSF [DMR 1410428]; U.S. Department of Energy, Office of Basic Energy Sciences, Materials Science Division [DE-FG02-01ER-45885]; U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division; U.S. Department of Energy, Office of Science, Scientific User Facilities Division; University of Florida Research Computing Center FX D.G.M and J.-Q.Y acknowledge support from NSF DMR 1410428. J.L.M. appreciates research support from the U.S. Department of Energy, Office of Basic Energy Sciences, Materials Science Division (DE-FG02-01ER-45885). T.J.W and B.C.S acknowledge support from the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division, and Scientific User Facilities Division. We thank B.C. Chakoumakos, B.S. Holinsworth, Q.-C. Sun, and G. Panchapakesan for useful discussions. Raman measurements were conducted at the Center for Nanophase Materials Sciences, which is a DOE Office of Science User Facility. This work also employed computational resources and support from the University of Florida Research Computing Center. NR 50 TC 15 Z9 15 U1 29 U2 78 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 2166-532X J9 APL MATER JI APL Mater. PD APR PY 2015 VL 3 IS 4 AR 041515 DI 10.1063/1.4914134 PG 11 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Physics GA CH2BH UT WOS:000353828400022 ER PT J AU Gul, R Roy, UN Bolotnikov, AE Camarda, GS Cui, Y Hossain, A Lee, W Yang, G Cui, Y Burger, A James, RB AF Gul, R. Roy, U. N. Bolotnikov, A. E. Camarda, G. S. Cui, Y. Hossain, A. Lee, W. Yang, G. Cui, Y. Burger, A. James, R. B. TI Research Update: Point defects in CdTexSe1-x crystals grown from a Te-rich solution for applications in detecting radiation SO APL MATERIALS LA English DT Article AB We investigated cadmium telluride selenide (CdTeSe) crystals, newly grown by the Traveling Heater Method (THM), for the presence and abundance of point defects. Current Deep Level Transient spectroscopy (I-DLTS) was used to determine the energies of the traps, their capture cross sections, and densities. The bias across the detectors was varied from 1 to 30 V. Four types of point defects were identified, ranging from 10 meV to 0.35 eV. Two dominant traps at energies of 0.18 eV and 0.14 eV were studied in depth. Cd vacancies are found at lower concentrations than other point defects present in the material. (C) 2015 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License. C1 [Gul, R.; Roy, U. N.; Bolotnikov, A. E.; Camarda, G. S.; Cui, Y.; Hossain, A.; Yang, G.; James, R. B.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Lee, W.] Korea Univ, Seoul 136701, South Korea. [Cui, Y.; Burger, A.] Fisk Univ, Nashville, TN 37208 USA. RP Gul, R (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. OI Burger, Arnold/0000-0002-3140-5698 FU U.S. Department of Energy, Office of Defense Nuclear Nonproliferation Research and development, DNN RD FX This work was supported by the U.S. Department of Energy, Office of Defense Nuclear Nonproliferation Research and development, DNN R&D. The manuscript has been authored by Brookhaven Science Associates with the U.S. Department of Energy. NR 6 TC 3 Z9 3 U1 2 U2 15 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 2166-532X J9 APL MATER JI APL Mater. PD APR PY 2015 VL 3 IS 4 AR 040702 DI 10.1063/1.4917270 PG 6 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Physics GA CH2BH UT WOS:000353828400002 ER PT J AU Kong, T Masters, MW Bud'ko, SL Canfield, PC AF Kong, Tai Masters, Morgan W. Bud'ko, Sergey L. Canfield, Paul C. TI Physical properties of V1-xTixO2 (0 < x < 0.187) single crystals SO APL MATERIALS LA English DT Article ID METAL-INSULATOR TRANSITIONS; VO2; TEMPERATURE; GROWTH; PHASE AB Free standing, low strain, single crystals of pure and titanium doped VO2 were grown out of an excess of V2O5 using high temperature solution growth techniques. At TMI similar to 340 K, pure VO2 exhibits a clear first-order phase transition from a hightemperature paramagnetic tetragonal phase (R) to a low-temperature non-magnetic monoclinic phase (M1). With Ti doping, another monoclinic phase (M2) emerges between the R and M1 phases. The phase transition temperature between R and M2 increases with increasing Ti doping while the transition temperature between M2 and M1 decreases. (C) 2015 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License. C1 [Kong, Tai; Bud'ko, Sergey L.; Canfield, Paul C.] Iowa State Univ, US DOE, Ames Lab, Ames, IA 50011 USA. [Kong, Tai; Masters, Morgan W.; Bud'ko, Sergey L.; Canfield, Paul C.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. RP Kong, T (reprint author), Iowa State Univ, US DOE, Ames Lab, Ames, IA 50011 USA. OI Kong, Tai/0000-0002-5064-3464 FU U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences, Materials Science and Engineering Division; U.S. DOE by Iowa State University [DE-AC02-07CH11358] FX The authors would like to thank W. E. Straszheim and S. M. Saunders for experimental assistances and R. J. Cava for insightful discussions. This work was supported by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences, Materials Science and Engineering Division. The research was performed at the Ames Laboratory, which is operated for the U.S. DOE by Iowa State University under Contract No. DE-AC02-07CH11358. NR 16 TC 3 Z9 3 U1 8 U2 40 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 2166-532X J9 APL MATER JI APL Mater. PD APR PY 2015 VL 3 IS 4 AR 041502 DI 10.1063/1.4908245 PG 6 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Physics GA CH2BH UT WOS:000353828400009 ER PT J AU Sarrao, JL Ronning, F Bauer, ED Batista, CD Zhu, JX Thompson, JD AF Sarrao, J. L. Ronning, F. Bauer, E. D. Batista, C. D. Zhu, J. -X. Thompson, J. D. TI Building blocks for correlated superconductors and magnets SO APL MATERIALS LA English DT Article ID HEAVY-FERMION SUPERCONDUCTIVITY; ORBITAL MAGNETISM; CRYSTAL-GROWTH; ANISOTROPY; URU2SI2; SYSTEMS; YCO5; CE2PDIN8; CEIRIN5; NEUTRON AB Recent efforts at Los Alamos to discover strongly correlated superconductors and hard ferromagnets are reviewed. While serendipity remains a principal engine of materials discovery, design principles and structural building blocks are beginning to emerge that hold potential for predictive discovery. Successes over the last decade with the so-called "115" strongly correlated superconductors are summarized, and more recent efforts to translate these insights and principles to novel hard magnets are discussed. While true "materials by design" remains a distant aspiration, progress is being made in coupling empirical design principles to electronic structure simulation to accelerate and guide materials design and synthesis. (C) 2015 Author(s). C1 [Sarrao, J. L.; Ronning, F.; Bauer, E. D.; Batista, C. D.; Zhu, J. -X.; Thompson, J. D.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Sarrao, JL (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. RI Batista, Cristian/J-8008-2016; OI Ronning, Filip/0000-0002-2679-7957; Bauer, Eric/0000-0003-0017-1937 FU U.S. Department of Energy; Office of Basic Energy Sciences, Division of Materials Science and Engineering FX We acknowledge Zachary Fisk for his mentorship and many insights. His very strong crystal chemical intuition was foundational to much of the work described herein. Work at Los Alamos National Laboratory was performed under the auspices of the U.S. Department of Energy and was supported by the Office of Basic Energy Sciences, Division of Materials Science and Engineering. Specific heat measurements and electronic structure calculations on YCo5 were performed under the Los Alamos National Laboratory Directed Research and Development (LDRD) program. NR 52 TC 1 Z9 1 U1 4 U2 20 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 2166-532X J9 APL MATER JI APL Mater. PD APR PY 2015 VL 3 IS 4 AR 041512 DI 10.1063/1.4913732 PG 8 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Physics GA CH2BH UT WOS:000353828400019 ER PT J AU Tan, T Wolak, MA Acharya, N Krick, A Lang, AC Sloppy, J Taheri, ML Civale, L Chen, K Xi, XX AF Tan, Teng Wolak, M. A. Acharya, Narendra Krick, Alex Lang, Andrew C. Sloppy, Jennifer Taheri, Mitra L. Civale, L. Chen, Ke Xi, X. X. TI Enhancement of lower critical field by reducing the thickness of epitaxial and polycrystalline MgB2 thin films SO APL MATERIALS LA English DT Article ID MAGNESIUM DIBORIDE; SUPERCONDUCTIVITY; DEPENDENCE; CAVITIES AB For potential applications in superconducting RF cavities, we have investigated the properties of polycrystalline MgB2 films, including the thickness dependence of the lower critical field H-c1.MgB2 thin films were fabricated by hybrid physical-chemical vapor deposition on (0001) SiC substrate either directly (for epitaxial films) or with a MgO buffer layer (for polycrystalline films). When the film thickness decreased from 300 nm to 100 nm, H-c1 at 5 K increased from around 600 Oe to 1880 Oe in epitaxial films and to 1520 Oe in polycrystalline films. The result is promising for using MgB2/MgO multilayers to enhance the vortex penetration field. (C) 2015 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License. C1 [Tan, Teng; Wolak, M. A.; Acharya, Narendra; Krick, Alex; Chen, Ke; Xi, X. X.] Temple Univ, Dept Phys, Philadelphia, PA 19122 USA. [Krick, Alex; Lang, Andrew C.; Sloppy, Jennifer; Taheri, Mitra L.] Drexel Univ, Dept Mat Sci & Engn, Philadelphia, PA 19104 USA. [Civale, L.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Tan, T (reprint author), Temple Univ, Dept Phys, Philadelphia, PA 19122 USA. EM phys.tan@temple.edu OI , Ke/0000-0002-2025-9197; Civale, Leonardo/0000-0003-0806-3113 FU U.S. Department of Energy, Office of Science, High Energy Physics [DE-SC0011616] FX This work was supported by the U.S. Department of Energy, Office of Science, High Energy Physics, under Award No. DE-SC0011616. The authors are grateful to Dr. Tan Yuen and Dr. S. J. May for the assistance in the measurements. The authors also would like to thanks Dr. Alex Gurevich for helpful discussion. NR 34 TC 4 Z9 4 U1 2 U2 21 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 2166-532X J9 APL MATER JI APL Mater. PD APR PY 2015 VL 3 IS 4 DI 10.1063/1.4916696 PG 7 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Physics GA CH2BH UT WOS:000353828400004 ER PT J AU Wang, KF Wang, AF Tomic, A Wang, LM Abeykoon, AMM Dooryhee, E Billinge, SJL Petrovic, C AF Wang, Kefeng Wang, Aifeng Tomic, A. Wang, Limin Abeykoon, A. M. Milinda Dooryhee, E. Billinge, S. J. L. Petrovic, C. TI Enhanced thermoelectric power and electronic correlations in RuSe2 SO APL MATERIALS LA English DT Article ID TRANSPORT-PROPERTIES; STRUCTURE REFINEMENT; PYRITE; PERFORMANCE; MARCASITE; INSULATOR; ALLOYS; BANDS AB We report the electronic structure, electric and thermal transport properties of Ru1-xIrxSe2 (x <= 0.2). RuSe2 is a semiconductor that crystallizes in a cubic pyrite unit cell. The Seebeck coefficient of RuSe2 exceeds -200 mu V/K around 730 K. Ir substitution results in the suppression of the resistivity and the Seebeck coefficient, suggesting the removal of the peaks in density of states near the Fermi level. Ru0.8Ir0.2Se2 shows a semiconductor-metal crossover at about 30 K. The magnetic field restores the semiconducting behavior. Our results indicate the importance of the electronic correlations in enhanced thermoelectricity of RuSb2. (C) 2015 Author(s). C1 [Wang, Kefeng; Wang, Aifeng; Tomic, A.; Wang, Limin; Billinge, S. J. L.; Petrovic, C.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. [Billinge, S. J. L.] Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA. [Abeykoon, A. M. Milinda; Dooryhee, E.] Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA. RP Wang, KF (reprint author), Univ Maryland, Dept Phys, College Pk, MD 20742 USA. EM wangkf@umd.edu; petrovic@bnl.gov RI Petrovic, Cedomir/A-8789-2009 OI Petrovic, Cedomir/0000-0001-6063-1881 FU U.S. DOE [DE-AC02-98CH10886]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0012704] FX Work at Brookhaven is supported by the U.S. DOE under Contract No. DE-AC02-98CH10886. X-ray scattering data were collected at 28-ID-C x-ray powder diffraction beam line at National Synchrotron Light Source II at Brookhaven National Laboratory. Use of the National Synchrotron Light Source II, Brookhaven National Laboratory, was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-SC0012704. NR 51 TC 2 Z9 2 U1 6 U2 20 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 2166-532X J9 APL MATER JI APL Mater. PD APR PY 2015 VL 3 IS 4 AR 041513 DI 10.1063/1.4913919 PG 7 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Physics GA CH2BH UT WOS:000353828400020 ER PT J AU Ricono, A Bupp, G Peterson, C Nunziata, SO Lance, SL Pruett, CL AF Ricono, Angela Bupp, Glen Peterson, Cheryl Nunziata, Schyler O. Lance, Stacey L. Pruett, Christin L. TI DEVELOPMENT AND CHARACTERIZATION OF MICROSATELLITE LOCI FOR THE ENDANGERED SCRUB LUPINE, LUPINUS ARIDORUM (FABACEAE) SO APPLICATIONS IN PLANT SCIENCES LA English DT Article DE Fabaceae; Florida; Lupinus; microsatellite; PCR primers AB Premise of the study: Microsatellite primers were developed in scrub lupine (Lupinus aridorum, Fabaceae), an endemic species to Florida that is listed as endangered in the United States, to assess connectivity among populations, identify hybrids, and examine genetic diversity. Methods and Results: We isolated and characterized 12 microsatellite loci polymorphic in scrub lupine or in closely related species (i.e., sky-blue lupine [L. diffusus] and Gulf Coast lupine [L. westianus]). Loci showed low to moderate polymorphism, ranging from two to 14 alleles per locus and 0.01 to 0.86 observed heterozygosity. Conclusions: These loci are the first developed for Florida species of lupine and will be used to determine differentiation among species and to aid in conservation of the endangered scrub lupine. C1 [Ricono, Angela; Pruett, Christin L.] Florida Inst Technol, Dept Biol Sci, Melbourne, FL 32901 USA. [Bupp, Glen; Peterson, Cheryl] Rare Plant Conservat Program, Lake Wales, FL 33853 USA. [Nunziata, Schyler O.; Lance, Stacey L.] Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. RP Pruett, CL (reprint author), Florida Inst Technol, Dept Biol Sci, Melbourne, FL 32901 USA. EM cpruett@fit.edu RI Lance, Stacey/K-9203-2013 OI Lance, Stacey/0000-0003-2686-1733 FU Florida Institute of Technology; Bok Tower Gardens; U.S. Fish and Wildlife Service; Florida Forest Service; Florida Department of Agriculture and Consumer Services; U.S. Department of Energy (University of Georgia Research Foundation) [DE-FC09-07SR22506] FX This work was supported by the Florida Institute of Technology, Bok Tower Gardens, U.S. Fish and Wildlife Service, Florida Forest Service, Florida Department of Agriculture and Consumer Services, and by the U.S. Department of Energy (award no. DE-FC09-07SR22506 to the University of Georgia Research Foundation). NR 9 TC 1 Z9 1 U1 2 U2 6 PU BOTANICAL SOC AMER INC PI ST LOUIS PA PO BOX 299, ST LOUIS, MO 63166-0299 USA SN 2168-0450 J9 APPL PLANT SCI JI Appl. Plant Sci. PD APR PY 2015 VL 3 IS 4 AR 1500013 DI 10.3732/apps.1500013 PG 3 WC Plant Sciences SC Plant Sciences GA CG8PJ UT WOS:000353570700007 ER PT J AU Dearing, JLJ Paterson, BM Akurathi, V Betanzos-Lara, S Treves, ST Voss, SD White, JM Huston, JS Smith, SV Donnelly, PS Packard, AB AF Dearing, Jason L. J. Paterson, Brett M. Akurathi, Vamsidhar Betanzos-Lara, Soledad Treves, S. Ted Voss, Stephan D. White, Jonathan M. Huston, James S. Smith, Suzanne V. Donnelly, Paul S. Packard, Alan B. TI The Ionic Charge of Copper-64 Complexes Conjugated to an Engineered Antibody Affects Biodistribution SO BIOCONJUGATE CHEMISTRY LA English DT Article ID BIFUNCTIONAL CHELATING-AGENTS; CAGE AMINE LIGAND; SINGLE-CHAIN FV; NEUROBLASTOMA-CELLS; ANTI-GD2 ANTIBODY; BONE-MARROW; METAL-IONS; STEM-CELLS; TUMORS; PHARMACOKINETICS AB The development of biomolecules as imaging probes requires radiolabeling methods that do not significantly influence their biodistribution. Sarcophagine (Sar) chelators form extremely stable complexes with copper and are therefore a promising option for labeling proteins with Cu-64. However, initial studies using the first-generation sarcophagine bifunctional chelator SarAr to label the engineered antibody fragment ch14.18-Delta C(H)2 (MW 120 kDa) with Cu-64 showed high tracer retention in the kidneys, presumably because the high local positive charge on the CuII-SarAr moiety resulted in increased binding of the labeled protein to the negatively charged basal cells of the glomerulus. To test this hypothesis, ch14.18-Delta C(H)2 was conjugated with a series of Sar derivatives of decreasing positive charge and three commonly used macrocyclic polyaza polycarboxylate (PAC) bifunctional chelators (BFC). The immunoconjugates were labeled with Cu-64 and injected into mice, and PET/CT images were obtained at 24 and 48 h postinjection (p.i.). At 48 h p.i., ex vivo biodistribution was assessed. In addition, to demonstrate the potential of metastasis detection using Cu-64-labeled ch14.18-Delta C(H)2, a preclinical imaging study of intrahepatic neuroblastoma tumors was performed. Reducing the positive charge on the Sar chelators decreased kidney uptake of Cu-labeled ch14.18-Delta CH2 by more than 6-fold, from >45 to <6% ID/g, whereas the uptake in most other tissues, including liver, was relatively unchanged. However, despite this dramatic decrease, the renal uptake of the PAC BFCs was generally lower than that of the Sar derivatives, as was the liver uptake. Uptake of Cu-64-labeled ch14.18-Delta C(H)2 in neuroblastoma hepatic metastases was detected using PET. C1 [Dearing, Jason L. J.; Akurathi, Vamsidhar; Betanzos-Lara, Soledad; Treves, S. Ted; Voss, Stephan D.; Packard, Alan B.] Boston Childrens Hosp, Dept Radiol, Div Nucl Med & Mol Imaging, Boston, MA 02115 USA. [Dearing, Jason L. J.; Akurathi, Vamsidhar; Treves, S. Ted; Voss, Stephan D.; Packard, Alan B.] Harvard Univ, Sch Med, Boston, MA 02115 USA. [Paterson, Brett M.; White, Jonathan M.; Donnelly, Paul S.] Univ Melbourne, Sch Chem, Parkville, Vic 3010, Australia. [Paterson, Brett M.; White, Jonathan M.; Donnelly, Paul S.] Univ Melbourne, Mol Sci & Biotechnol Inst Bio21, Parkville, Vic 3010, Australia. [Huston, James S.] Antibody Soc & Huston BioConsulting LLC, Boston, MA 01908 USA. [Smith, Suzanne V.] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Dearing, JLJ (reprint author), Boston Childrens Hosp, Dept Radiol, Div Nucl Med & Mol Imaging, Boston, MA 02115 USA. EM jason.dearling@childrens.harvard.edu RI Paterson, Brett/A-2402-2016 OI Paterson, Brett/0000-0002-7768-811X FU National Institutes of Health [5K08CA093554]; Comunidad de Madrid (through the Madrid-MIT M+Vision Fellowship); Children's Hospital Radiology Foundation; Australian Research Council; Victoria Fellowship from the Victorian Government; National Cancer Institute [R24CA86307] FX The authors express their gratitude to Erin Snay, Patricia Dunning, and Kathryn G. Commons, Ph.D., for technical assistance. The ch14.18-Delta CH2 antibody was provided by Rupert Handgretinger, M.D., Universitat Tubingen (Germany); the original protein and production cell line were developed and made available for use by Stephen Gillies, Ph.D., Provenance Biopharmaceuticals (Billerica, MA). This work was supported by National Institutes of Health grant 5K08CA093554 (to S.D.V.), by the Comunidad de Madrid (through the Madrid-MIT M+Vision Fellowship, to J.L.J.D.), the Children's Hospital Radiology Foundation, the Australian Research Council (to P.S.D.), and a Victoria Fellowship from the Victorian Government (to B.M.P.). Copper-64 was produced at Washington University School of Medicine (St. Louis, MO, USA) under the support of National Cancer Institute grant R24CA86307. NR 39 TC 8 Z9 8 U1 2 U2 18 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1043-1802 J9 BIOCONJUGATE CHEM JI Bioconjugate Chem. PD APR PY 2015 VL 26 IS 4 BP 707 EP 717 DI 10.1021/acs.bioconjchem.5b00049 PG 11 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Chemistry, Multidisciplinary; Chemistry, Organic SC Biochemistry & Molecular Biology; Chemistry GA CG3JU UT WOS:000353177300012 PM 25719414 ER PT J AU Esposito, DH Rosenthal, BM Slesak, G Tappe, D Fayer, R Bottieau, E Brown, C Grobusch, MP Malvy, D von Sonnenburg, F Sotir, MJ Steiner, F Zanger, P Kozarsky, PE AF Esposito, Douglas H. Rosenthal, Benjamin M. Slesak, Guenther Tappe, Dennis Fayer, Ronald Bottieau, Emmanuel Brown, Clive Grobusch, Martin P. Malvy, Denis von Sonnenburg, Frank Sotir, Mark J. Steiner, Florian Zanger, Philipp Kozarsky, Phyllis E. TI Avoid Haste in Defining Human Muscular Sarcocystosis Reply SO CLINICAL INFECTIOUS DISEASES LA English DT Letter ID TIOMAN ISLAND; OUTBREAK; MALAYSIA; INFECTION; NESBITTI; MYOSITIS C1 [Esposito, Douglas H.; Brown, Clive; Sotir, Mark J.; Kozarsky, Phyllis E.] Ctr Dis Control & Prevent, Natl Ctr Emerging & Zoonot Infect Dis, Div Global Migrat & Quarantine, Atlanta, GA 30333 USA. [Rosenthal, Benjamin M.; Fayer, Ronald] US DOE, Beltsville Agr Res Ctr, Beltsville, MD USA. [Slesak, Guenther] Tropenklin Paul Lechler Krankenhaus, Tubingen, Germany. [Tappe, Dennis] Bernhard Nocht Inst Trop Med, D-20359 Hamburg, Germany. [Bottieau, Emmanuel] Inst Trop Med, Dept Clin Sci, B-2000 Antwerp, Belgium. [Grobusch, Martin P.] Univ Amsterdam, Acad Med Ctr, Dept Infect Dis, Ctr Trop Med & Travel Med, NL-1012 WX Amsterdam, Netherlands. [Malvy, Denis] Univ Hosp Ctr, Div Trop Med & Clin Int Hlth, Bordeaux, France. [von Sonnenburg, Frank] Univ Munich, Dept Infect Dis & Trop Med, D-81377 Munich, Germany. [Steiner, Florian] Charite Univ Med Berlin, Inst Trop Med & Int Hlth, Berlin, Germany. [Zanger, Philipp] Univ Tubingen, Inst Trop Med, Tubingen, Germany. [Kozarsky, Phyllis E.] Emory Univ, Dept Med, Div Infect Dis, Atlanta, GA 30322 USA. RP Esposito, DH (reprint author), Ctr Dis Control & Prevent, Natl Ctr Emerging & Zoonot Infect Dis, Travelers Hlth Branch, Div Global Migrat & Quarantine, 1600 Clifton Rd NE,MS E-03, Atlanta, GA 30333 USA. EM hgj4@cdc.gov RI Zanger, Philipp/B-8033-2010 FU Intramural CDC HHS [CC999999] NR 10 TC 0 Z9 0 U1 0 U2 3 PU OXFORD UNIV PRESS INC PI CARY PA JOURNALS DEPT, 2001 EVANS RD, CARY, NC 27513 USA SN 1058-4838 EI 1537-6591 J9 CLIN INFECT DIS JI Clin. Infect. Dis. PD APR 1 PY 2015 VL 60 IS 7 BP 1135 EP U198 DI 10.1093/cid/ciu1165 PG 2 WC Immunology; Infectious Diseases; Microbiology SC Immunology; Infectious Diseases; Microbiology GA CH0MH UT WOS:000353714000025 PM 25537874 ER PT J AU Zenyuk, IV Parkinson, DY Hwang, G Weber, AZ AF Zenyuk, Iryna V. Parkinson, Dilworth Y. Hwang, Gisuk Weber, Adam Z. TI Probing water distribution in compressed fuel-cell gas-diffusion layers using X-ray computed tomography SO ELECTROCHEMISTRY COMMUNICATIONS LA English DT Article DE X-ray computed tomography; Gas-diffusion layers; Water saturation; Land-channel effects; Compression; Polymer-electrolyte fuel cells ID LIQUID WATER; MODELING TRANSPORT; MICROPOROUS LAYER; LASER PERFORATION; 2-PHASE FLOW; PEMFC; MEDIA; RADIOGRAPHY; PERFORMANCE; MANAGEMENT AB X-ray computed tomography was used to investigate geometrical land and channel effects on spatial liquid-water distribution in gas-diffusion layers (GDLs) of polymer-electrolyte fuel cells under different levels of compression. At low compression, a uniform liquid-water front was observed due to water redistribution and uniform porosity; however, at high compression, the water predominantly advanced at locations under the channel for higher liquid pressures. At low compression, no apparent correlation between the spatial liquid water and porosity distributions was observed, whereas at high compression, a strong correlation was shown, indicating a potential for smart GDL architecture design with modulated porosity. (C) 2015 Elsevier B.V. All rights reserved. C1 [Zenyuk, Iryna V.; Weber, Adam Z.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Energy Storage & Distributed Resources Div, Berkeley, CA 94720 USA. [Parkinson, Dilworth Y.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Hwang, Gisuk] Wichita State Univ, Wichita, KS 67260 USA. RP Weber, AZ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Energy Storage & Distributed Resources Div, MS70-10BB,1 Cyclotron Rd, Berkeley, CA 94720 USA. EM AZWeber@lbl.gov OI Weber, Adam/0000-0002-7749-1624 FU EERE, Fuel Cell Technologies Office, U.S. DOE; Office of Science, BES [DE-AC02-05CH11231] FX This work was funded by the Assistant Secretary for EERE, Fuel Cell Technologies Office, U.S. DOE and made use of facilities at the ALS, supported by the Office of Science, BES under contract number DE-AC02-05CH11231. NR 33 TC 19 Z9 19 U1 6 U2 31 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 1388-2481 EI 1873-1902 J9 ELECTROCHEM COMMUN JI Electrochem. Commun. PD APR PY 2015 VL 53 BP 24 EP 28 DI 10.1016/j.elecom.2015.02.005 PG 5 WC Electrochemistry SC Electrochemistry GA CH2JS UT WOS:000353852100006 ER PT J AU Cvijanovic, I Caldeira, K MacMartin, DG AF Cvijanovic, Ivana Caldeira, Ken MacMartin, Douglas G. TI Impacts of ocean albedo alteration on Arctic sea ice restoration and Northern Hemisphere climate SO ENVIRONMENTAL RESEARCH LETTERS LA English DT Article DE Arctic sea ice restoration; ocean albedo alteration; atmospheric impacts ID MODEL; TEMPERATURE; SENSITIVITY; TRANSPORT AB The Arctic Ocean is expected to transition into a seasonally ice-free state by mid-century, enhancing Arctic warming and leading to substantial ecological and socio-economic challenges across the Arctic region. It has been proposed that artificially increasing high latitude ocean albedo could restore sea ice, but the climate impacts of such a strategy have not been previously explored. Motivated by this, we investigate the impacts of idealized high latitude ocean albedo changes on Arctic sea ice restoration and climate. In our simulated 4xCO(2) climate, imposing surface albedo alterations over the Arctic Ocean leads to partial sea ice recovery and a modest reduction in Arctic warming. With the most extreme ocean albedo changes, imposed over the area 70 degrees-90 degrees N, September sea ice cover stabilizes at similar to 40% of its preindustrial value ( compared to similar to 3% without imposed albedo modifications). This is accompanied by an annual mean Arctic surface temperature decrease of similar to 2 degrees C but no substantial global mean temperature decrease. Imposed albedo changes and sea ice recovery alter climate outside the Arctic region too, affecting precipitation distribution over parts of the continental United States and Northeastern Pacific. For example, following sea ice recovery, wetter and milder winter conditions are present in the Southwest United States while the East Coast experiences cooling. We conclude that although ocean albedo alteration could lead to some sea ice recovery, it does not appear to be an effective way of offsetting the overall effects of CO2 induced global warming. C1 [Cvijanovic, Ivana; Caldeira, Ken] Carnegie Inst Sci, Dept Global Ecol, Stanford, CA 94305 USA. [MacMartin, Douglas G.] CALTECH, Dept Comp Math Sci, Pasadena, CA 91125 USA. [Cvijanovic, Ivana] Lawrence Livermore Natl Lab, Atmospher Earth & Energy Div, Livermore, CA 94550 USA. RP Cvijanovic, I (reprint author), Carnegie Inst Sci, Dept Global Ecol, 260 Panama St, Stanford, CA 94305 USA. EM ivanacv@llnl.gov RI MacMartin, Douglas/A-6333-2016; Caldeira, Ken/E-7914-2011 OI MacMartin, Douglas/0000-0003-1987-9417; FU Fund for Innovative Climate and Energy Research (FICER); Carnegie Institution for Science endowment; US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX Support for this research was provided by the Fund for Innovative Climate and Energy Research (FICER) and by the Carnegie Institution for Science endowment. Part of this work was performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. We thank James Begg (Lawrence Livermore National Laboratory) for useful discussions and helpful comments and D Michael and D Rouson (Stanford's Center for Computational Earth and Environmental Science, CEES) for computational support. The authors declare having no competing interests or other interests that might be perceived to influence the results and/or discussion reported in this article. NR 44 TC 3 Z9 3 U1 1 U2 19 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1748-9326 J9 ENVIRON RES LETT JI Environ. Res. Lett. PD APR PY 2015 VL 10 IS 4 AR 044020 DI 10.1088/1748-9326/10/4/044020 PG 8 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA CG9NB UT WOS:000353641400021 ER PT J AU Gao, Y Leung, LR Lu, J Masato, G AF Gao, Yang Leung, L. Ruby Lu, Jian Masato, Giacomo TI Persistent cold air outbreaks over North America in a warming climate SO ENVIRONMENTAL RESEARCH LETTERS LA English DT Article DE cold air outbreaks; multi-model projections; dynamical and thermodynamical modulations; temperature skewness ID ARCTIC AMPLIFICATION; SNOW COVER; MIDLATITUDE WEATHER; UNITED-STATES; GREAT-PLAINS; HEAT WAVES; TEMPERATURE; REANALYSIS; VARIABILITY; 21ST-CENTURY AB This study examines future changes of cold air outbreaks (CAOs) using a multi-model ensemble of global climate simulations from the Coupled Model Intercomparison Project Phase 5 and high resolution regional climate simulations. Overall, climate models agree on a dip in CAO duration across North America, but the percentage change is consistently smaller from western Canada to the upper mid-western US with historically more frequent CAO. By decomposing the changes of the probability density function of daily surface temperature into changes due to mean warming and changes in standard deviation (std) and skewness/higher order moments, the contributions of each factor to CAO changes are quantified. Results show that CAO changes can be explained largely by the mean warming, but the decrease in temperature std contributes to about 20% reduction of CAO from Alaska to northeastern US and eastern Canada possibly due to the Arctic amplification and weakening of storm track. A thermodynamical modulation of the skewness called the '0 degrees C mode' effect is found to operate prominently along the 0 degrees C isotherm hemispherically and reduce CAO in western and northeastern US with winter snow cover by up to 10%. This effect also produces a manifold increase in CAO events over the Arctic sea ice. An increased frequency in atmospheric blocking also contributes to increases in CAO duration over Alaska and the Arctic region. Regional simulations revealed more contributions of existing snowpack to CAO in the near future over the Rocky Mountain, southwestern US, and Great Lakes areas through surface albedo effects. Overall, the multi-model projections emphasize that cold extremes do not completely disappear in a warming climate. Concomitant with the relatively smaller reduction in CAO events in northwestern US, the top five most extreme CAO events may still occur, and wind chill will continue to have societal impacts in that region. C1 [Gao, Yang; Leung, L. Ruby; Lu, Jian] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. [Masato, Giacomo] Univ Reading, NCAS Climate, Reading, Berks, England. [Masato, Giacomo] Univ Reading, Dept Meteorol, Reading, Berks, England. RP Gao, Y (reprint author), Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. EM Ruby.Leung@pnnl.gov FU US. Department of Energy Office of Science Biological and Environmental Research (BER), Regional and Global Climate Modeling program; Platform for Regional Integrated Modeling and Analysis (PRIMA) Initiative at Pacific Northwest National Laboratory (PNNL); DOE Integrated Assessment Research Program; DOE by Battelle Memorial Institute [DE-AC05-76RL01830] FX This study was supported by the US. Department of Energy Office of Science Biological and Environmental Research (BER) as part of the Regional and Global Climate Modeling program. We are grateful to two anonymous reviewers for their careful review and insightful comments that helped improve our analysis. We also thank Dr Tim Woollings from University of Oxford for the stimulating discussions that help improve our understanding of the changes of standard deviation and skewness of the air temperature under a warming climate. The regional climate simulations were conducted with partial support by the Platform for Regional Integrated Modeling and Analysis (PRIMA) Initiative at Pacific Northwest National Laboratory (PNNL) and used computing resources on the Evergreen computer cluster at the Joint Global Change Research Institute (JGCRI) supported by the DOE Integrated Assessment Research Program. PNNL is operated for DOE by Battelle Memorial Institute under contract DE-AC05-76RL01830. NR 44 TC 6 Z9 6 U1 5 U2 16 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1748-9326 J9 ENVIRON RES LETT JI Environ. Res. Lett. PD APR PY 2015 VL 10 IS 4 AR 044001 DI 10.1088/1748-9326/10/4/044001 PG 12 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA CG9NB UT WOS:000353641400002 ER PT J AU Martin, CMS Lundquist, JK Handschy, MA AF Martin, Clara M. St. Lundquist, Julie K. Handschy, Mark A. TI Variability of interconnected wind plants: correlation length and its dependence on variability time scale SO ENVIRONMENTAL RESEARCH LETTERS LA English DT Article DE wind power; variability; geographic diversity ID POWER FLUCTUATIONS; GEOGRAPHICAL DISPERSION; OFFSHORE WIND; SYSTEMS; FARMS; SPEED; INTERMITTENCY; RELIABILITY; GENERATORS; COHERENCE AB The variability in wind-generated electricity complicates the integration of this electricity into the electrical grid. This challenge steepens as the percentage of renewably-generated electricity on the grid grows, but variability can be reduced by exploiting geographic diversity: correlations between wind farms decrease as the separation between wind farms increases. But how far is far enough to reduce variability? Grid management requires balancing production on various timescales, and so consideration of correlations reflective of those timescales can guide the appropriate spatial scales of geographic diversity grid integration. To answer 'how far is far enough,' we investigate the universal behavior of geographic diversity by exploring wind-speed correlations using three extensive datasets spanning continents, durations and time resolution. First, one year of five-minute wind power generation data from 29 wind farms span 1270 kmacross Southeastern Australia (Australian Energy Market Operator). Second, 45 years of hourly 10 m wind-speeds from 117 stations span 5000 km across Canada (National Climate Data Archive of Environment Canada). Finally, four years of five-minute wind-speeds from 14 meteorological towers span 350 km of the Northwestern US (Bonneville Power Administration). After removing diurnal cycles and seasonal trends from all datasets, we investigate dependence of correlation length on time scale by digitally high-pass filtering the data on 0.25-2000 h timescales and calculating correlations between sites for each high-pass filter cut-off. Correlations fall to zero with increasing station separation distance, but the characteristic correlation length varies with the high-pass filter applied: the higher the cut-off frequency, the smaller the station separation required to achieve de-correlation. Remarkable similarities between these three datasets reveal behavior that, if universal, could be particularly useful for grid management. For high-pass filter time constants shorter than about tau = 38 h, all datasets exhibit a correlation length xi that falls at least as fast as tau(-1). Since the inter-site separation needed for statistical independence falls for shorter time scales, higher-rate fluctuations can be effectively smoothed by aggregating wind plants over areas smaller than otherwise estimated. C1 [Martin, Clara M. St.; Lundquist, Julie K.] Univ Colorado, Dept Atmospher & Ocean Sci, Boulder, CO 80309 USA. [Lundquist, Julie K.] Natl Renewable Energy Lab, Golden, CO USA. [Handschy, Mark A.] Enduring Energy LLC, Boulder, CO USA. RP Martin, CMS (reprint author), Univ Colorado, Dept Atmospher & Ocean Sci, Boulder, CO 80309 USA. EM clara.st.martin@colorado.edu OI Handschy, Mark/0000-0003-3517-5954 FU Colorado Research and Education in Wind; National Science Foundation [IIP-1332147] FX Wind data used in this work was provided by the Australian Energy Market Operator (AEMO), Environment Canada, and the Bonneville Power Administration, United States Department of Energy. This work was partially supported by a seed grant from Colorado Research and Education in Wind. This material is based upon work funded by the National Science Foundation under Grant IIP-1332147. NR 67 TC 6 Z9 6 U1 1 U2 8 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1748-9326 J9 ENVIRON RES LETT JI Environ. Res. Lett. PD APR PY 2015 VL 10 IS 4 AR 044004 DI 10.1088/1748-9326/10/4/044004 PG 10 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA CG9NB UT WOS:000353641400005 ER PT J AU Bugaris, DE Sturza, M Han, F Im, J Chung, DY Freeman, AJ Kanatzidis, MG AF Bugaris, Daniel E. Sturza, Mihai Han, Fei Im, Jino Chung, Duck Young Freeman, Arthur J. Kanatzidis, Mercouri G. TI Flux Crystal Growth of the Ternary Polygermanide LaPtGe2, a p-Type Metal SO EUROPEAN JOURNAL OF INORGANIC CHEMISTRY LA English DT Article DE Crystal growth; Germanium; X-ray diffraction; Charge transport measurements; Magnetoresistance ID NEUTRON STRUCTURE DETERMINATION; RARE-EARTH-ELEMENT; SINGLE-CRYSTALS; LIQUID INDIUM; INTERMETALLIC COMPOUNDS; TRANSPORT-PROPERTIES; PHYSICAL-PROPERTIES; MOLTEN GALLIUM; HIGH-PRESSURE; X-RAY AB Large plate crystals of LaPtGe2 have been grown by using an inert indium metal flux. This compound crystallizes in the CeNiSi2-type structure (orthorhombic space group Cmcm) with lattice parameters a = 4.3770(9) angstrom, b = 17.186(3) angstrom, and c = 4.3942(9) angstrom. The structure of LaPtGe2 is a three-dimensional framework with alternating PbO-type layers of PtGe and infinite Ge chains, separated by La atoms. Electrical resistivity and Hall effect measurements characterize LaPtGe2 as a metal with holes that act as the charge carriers. Strong temperature dependence of the Hall coefficient and a violation of Kohler's rule (from magnetoresistance data) both indicate possible multiband effects. The electronic structure calculations suggest the metallic nature of LaPtGe2 and show that the strongest bonding exists between Pt and Ge within the PbO-type layers. C1 [Bugaris, Daniel E.; Sturza, Mihai; Han, Fei; Chung, Duck Young; Kanatzidis, Mercouri G.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Im, Jino; Freeman, Arthur J.] Northwestern Univ, Dept Phys & Astron, Evanston, IL 60208 USA. [Kanatzidis, Mercouri G.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. RP Bugaris, DE (reprint author), Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. EM dbugaris@anl.gov; m-kanatzidis@northwestern.edu RI Han, Fei/N-2021-2013 OI Han, Fei/0000-0001-7782-2713 FU U.S. Department of Energy, Office of Science, Materials Sciences and Engineering; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX This work was supported by the U.S. Department of Energy, Office of Science, Materials Sciences and Engineering. Use of the Center for Nanoscale Materials, including resources in the Electron Microscopy Center, was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. NR 77 TC 2 Z9 2 U1 5 U2 18 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1434-1948 EI 1099-0682 J9 EUR J INORG CHEM JI Eur. J. Inorg. Chem. PD APR PY 2015 IS 12 BP 2164 EP 2172 DI 10.1002/ejic.201500019 PG 9 WC Chemistry, Inorganic & Nuclear SC Chemistry GA CG6FD UT WOS:000353391700022 ER PT J AU Kim, JH Chan, WN Sridhar, B Sharman, RD AF Kim, Jung-Hoon Chan, William N. Sridhar, Banavar Sharman, Robert D. TI Combined Winds and Turbulence Prediction System for Automated Air-Traffic Management Applications SO JOURNAL OF APPLIED METEOROLOGY AND CLIMATOLOGY LA English DT Article ID MESOSCALE CONVECTIVE SYSTEM; UPPER-LEVEL OUTFLOW; AVIATION TURBULENCE; DEEP CONVECTION; MODEL; SIMULATIONS; ENCOUNTERS; GENERATION; FORECASTS; GUIDANCE AB A time-lagged ensemble of energy dissipation rate (EDR)-scale turbulence metrics is evaluated against in situ EDR observations from commercial aircraft over the contiguous United States and applied to air-traffic management (ATM) route planning. This method uses the Graphic Turbulence Guidance forecast methodology with three modifications. First, it uses the convection-permitting-scale (Delta x = 3 km) Advanced Research version of the Weather Research and Forecasting Model (ARW) to capture cloud-resolving-scale weather phenomena. Second, turbulence metrics are computed for multiple ARW forecasts that are combined at the same forecast valid time, resulting in a time-lagged ensemble of multiple turbulence metrics. Third, probabilistic turbulence forecasts are provided on the basis of the ensemble results, which are applied to the ATM route planning. Results show that the ARW forecasts match well with observed weather patterns and the overall performance skill of the ensemble turbulence forecast when compared with the observed data is superior to any single turbulence metric. An example wind-optimal route (WOR) is computed using areas experiencing >= 10% probability of encountering severe-or-greater turbulence. Using these turbulence data, lateral turbulence avoidance routes starting from three different waypoints along the WOR from Los Angeles International Airport to John F. Kennedy International Airport are calculated. The examples illustrate the trade-off between flight time/fuel used and turbulence avoidance maneuvers. C1 [Kim, Jung-Hoon; Chan, William N.; Sridhar, Banavar] NASA, Ames Res Ctr, Moffett Field, CA 94035 USA. [Kim, Jung-Hoon] Oak Ridge Associated Univ, Moffett Field, CA USA. [Sharman, Robert D.] Natl Ctr Atmosphere Res, Boulder, CO USA. RP Kim, JH (reprint author), NASA, Ames Res Ctr, Aviat Syst Div, Postdoctoral Program Fellow, Mail Code 210-10, Moffett Field, CA 94035 USA. EM jung-hoon.kim@nasa.gov FU NASA FX This work was supported by an appointment to the NASA Postdoctoral Program at the Ames Research Center, administrated by the Oak Ridge Associated Universities (ORAU) through a contract with NASA. We specially thank Matthias Steiner at NCAR and Ng Hok Kwan, Todd Farley, and Dallas Denery at NASA Ames Research Center for their invaluable peer reviews. We also thank the editor (Todd D. Sikora) and three anonymous reviewers for their invaluable comments that helped to improve the manuscript. NR 49 TC 6 Z9 6 U1 3 U2 14 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 1558-8424 EI 1558-8432 J9 J APPL METEOROL CLIM JI J. Appl. Meteorol. Climatol. PD APR PY 2015 VL 54 IS 4 BP 766 EP 784 DI 10.1175/JAMC-D-14-0216.1 PG 19 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA CG8QW UT WOS:000353576200005 ER PT J AU Burleyson, CD Yuter, SE AF Burleyson, Casey D. Yuter, Sandra E. TI Patterns of Diurnal Marine Stratocumulus Cloud Fraction Variability SO JOURNAL OF APPLIED METEOROLOGY AND CLIMATOLOGY LA English DT Article ID SOUTHEAST PACIFIC STRATOCUMULUS; MESOSCALE CELLULAR CONVECTION; SEA-SURFACE TEMPERATURE; MIXED-LAYER MODEL; BOUNDARY-LAYER; VOCALS-REX; CLEAR-SKY; MEAN STRUCTURE; MODIS; CYCLE AB The spatial patterns of subtropical marine stratocumulus cloud fraction variability on diurnal time scales are examined using high-temporal-resolution cloud masks that are based on 30-min, 4 km 3 4 km geosynchronous infrared data for 2003-10. This dataset permits comparison of the characteristics of variability in low cloud fraction among the three subtropical marine stratocumulus regions in the northeastern (NE) Pacific, southeastern (SE) Pacific, and SE Atlantic Oceans. In all three regions, the largest diurnal cycles and earliest time of cloud breakup occur on the edges of the cloud field where cloud fractions are generally lower. The rate at which the cloud breaks up during the day is tied to the starting cloud fraction at dawn, which determines the amount of longwave cooling that is initially available to offset shortwave radiative fluxes during the day. The maximum rate of cloud breakup occurs near 1200 LT. Cloud fraction begins to increase by 1600 LT (before the sun sets) and reaches its maximum value just before dawn. The diurnal-cycle characteristics of the SE Pacific and SE Atlantic marine stratocumulus cloud decks are more similar to each other than to those in the NE Pacific. The NE Pacific cloud deck has a smaller-amplitude diurnal cycle, slower rates of cloud breakup during the day for a given cloud fraction at dawn, and a higher probability of cloud breakup overnight. C1 [Burleyson, Casey D.; Yuter, Sandra E.] N Carolina State Univ, Raleigh, NC 27695 USA. [Burleyson, Casey D.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Burleyson, CD (reprint author), Pacific NW Natl Lab, POB 999 MS K9-24, Richland, WA 99352 USA. EM casey.burleyson@pnnl.gov RI Yuter, Sandra/E-8808-2015; Burleyson, Casey/F-1833-2016 OI Yuter, Sandra/0000-0002-3222-053X; Burleyson, Casey/0000-0001-6218-9361 FU NOAA Climate Program Office (CPO) Climate Prediction Program for the Americas (CPPA) [GC09-252b]; Department of Energy (DOE) Atmospheric Systems Research [DE SC0006701]; NASA [NNX11AE98G]; NASA Earth and Space Science Fellowship [NNX10AP43H]; DOE [DE-AC06-76RLO 1830] FX Special thanks are given to Steve Ackerman, Simon de Szoeke, Richard Frey, Jay Mace, Matthew Miller, David Mechem, Matthew Parker, Robert Pincus, Walter Robinson, and Robert Wood for their advice and technical support. Steve Platnick, Tom Arnold, and Kerry Meyer provided critical feedback on our efforts to evaluate the IR cloud fraction method. This work was funded by NOAA Climate Program Office (CPO) Climate Prediction Program for the Americas (CPPA) Grant GC09-252b, Department of Energy (DOE) Atmospheric Systems Research Grant DE SC0006701, and NASA Grant NNX11AE98G. In addition, the lead author was supported in part by NASA Earth and Space Science Fellowship Grant NNX10AP43H. The Pacific Northwest National Laboratory is operated for DOE by Battelle Memorial Institute under Contract DE-AC06-76RLO 1830. NR 60 TC 4 Z9 4 U1 1 U2 5 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 1558-8424 EI 1558-8432 J9 J APPL METEOROL CLIM JI J. Appl. Meteorol. Climatol. PD APR PY 2015 VL 54 IS 4 BP 847 EP 866 DI 10.1175/JAMC-D-14-0178.1 PG 20 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA CG8QW UT WOS:000353576200010 ER PT J AU Damle, A Lin, L Ying, LX AF Damle, Anil Lin, Lin Ying, Lexing TI Compressed Representation of Kohn-Sham Orbitals via Selected Columns of the Density Matrix SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION LA English DT Article ID LOCALIZED WANNIER FUNCTIONS; REVEALING QR FACTORIZATION; EXACT EXCHANGE; ELECTRONIC-STRUCTURE; POISSONS EQUATION; APPROXIMATION; ALGORITHMS AB Given a set of Kohn-Sham orbitals from an insulating system, we present a simple, robust, efficient, and highly parallelizable method to construct a set of optionally orthogonal, localized basis functions for the associated subspace. Our method explicitly uses the fact that density matrices associated with insulating systems decay exponentially along the off-diagonal direction in the real space representation. We avoid the usage of an optimization procedure, and the localized basis functions are constructed directly from a set of selected columns of the density matrix (SCDM). Consequently, the core portion of our localization procedure is not dependent on any adjustable parameters. The only adjustable parameters present pertain to the use of the SCDM after their computation (for example, at what value should the SCDM be truncated). Our method can be used in any electronic structure software package with an arbitrary basis set. We demonstrate the numerical accuracy and parallel scalability of the SCDM procedure using orbitals generated by the Quantum ESPRESSO software package. We also demonstrate a procedure for combining the orthogonalized SCDM with Hockneys algorithm to efficiently perform Hartree-Fock exchange energy calculations with near-linear scaling. C1 [Damle, Anil; Ying, Lexing] Stanford Univ, Inst Computat & Math Engn, Stanford, CA 94305 USA. [Lin, Lin] Univ Calif Berkeley, Dept Math, Berkeley, CA 94720 USA. [Lin, Lin] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA. [Ying, Lexing] Stanford Univ, Dept Math, Stanford, CA 94305 USA. RP Damle, A (reprint author), Stanford Univ, Inst Computat & Math Engn, Stanford, CA 94305 USA. EM damle@stanford.edu OI Damle, Anil/0000-0002-1711-128X FU NSF [DGE-1147470, DMS-0846501]; Simons Graduate Research Assistantship; DOE Scientific Discovery through Advanced Computing (SciDAC) program; DOE Center for Applied Mathematics for Energy Research Applications (CAMERA) program; Mathematical Multifaceted Integrated Capability Centers (MMICCs) of the U.S. Department of Energy's Advanced Scientific Computing Research program [DE-SC0009409] FX This work is partially supported by NSF Fellowship No. DGE-1147470 (A.D.) and NSF Grant No. DMS-0846501 (A.D. and L.Y.); by a Simons Graduate Research Assistantship (A.D.); by the DOE Scientific Discovery through Advanced Computing (SciDAC) program, and the DOE Center for Applied Mathematics for Energy Research Applications (CAMERA) program (L.L.); and by the Mathematical Multifaceted Integrated Capability Centers (MMICCs) effort within the Applied Mathematics activity of the U.S. Department of Energy's Advanced Scientific Computing Research program, under Award No. DE-SC0009409 (L.Y.). We thank Lenya Ryzhik and the National Energy Research Scientific Computing (NERSC) center for providing the computational resources. We are grateful to Wibe de Jong and Eric Bylaska for valuable suggestions to improve our manuscript. NR 35 TC 4 Z9 4 U1 0 U2 5 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1549-9618 EI 1549-9626 J9 J CHEM THEORY COMPUT JI J. Chem. Theory Comput. PD APR PY 2015 VL 11 IS 4 BP 1463 EP 1469 DI 10.1021/ct500985f PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA CG3JM UT WOS:000353176500013 PM 26574357 ER PT J AU Witte, J Goldey, M Neaton, JB Head-Gordon, M AF Witte, Jonathon Goldey, Matthew Neaton, Jeffrey B. Head-Gordon, Martin TI Beyond Energies: Geometries of Nonbonded Molecular Complexes as Metrics for Assessing Electronic Structure Approaches SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION LA English DT Article ID DENSITY-FUNCTIONAL THEORY; GENERALIZED GRADIENT APPROXIMATION; PLESSET PERTURBATION-THEORY; BASIS-SET CONVERGENCE; MAIN-GROUP THERMOCHEMISTRY; RANGE-SEPARATED HYBRID; AUXILIARY BASIS-SETS; NONCOVALENT INTERACTIONS; WAVE-FUNCTIONS; INTERMOLECULAR INTERACTIONS AB Electronic structure approaches for calculating intermolecular interactions have traditionally been benchmarked almost exclusively on the basis of energy-centric metrics. Herein, we explore the idea of utilizing a metric related to geometry. On a diverse series of noncovalently interacting systems of different sizes, from the water dimer to the coronene dimer, we evaluate a variety of electronic structure approximations with respect to their abilities to reproduce coupled-cluster-level geometries. Specifically, we examine Hartree-Fock, second-order Moller-Plesset perturbation theory (MP2), attenuated MP2, scaled MP2, and a number of density functionals, many of which include empirical or nonempirical van der Waals dispersion corrections. We find a number of trends that transcend system size and interaction type. For instance, functionals incorporating VV10 nonlocal correlation tend to yield highly accurate geometries; omega B97X-V and B97M-V, in particular, stand out. We establish that intermolecular distance, as measured by, e.g., the center-of-mass separation of two molecules, is the geometric parameter that deviates most profoundly among the various methods. This property of the equilibrium intermolecular separation, coupled with its accessibility via a small series of well-defined single-point calculations, makes it an ideal metric for the development and evaluation of electronic structure methods. C1 [Witte, Jonathon; Head-Gordon, Martin] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Neaton, Jeffrey B.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Neaton, Jeffrey B.] Univ Calif Berkeley, Kavli Energy Nanosci Inst, Berkeley, CA 94720 USA. [Witte, Jonathon; Neaton, Jeffrey B.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. [Head-Gordon, Martin] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Goldey, Matthew] Univ Chicago, Inst Mol Engn, Chicago, IL 60637 USA. RP Head-Gordon, M (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM mhg@cchem.berkeley.edu RI Neaton, Jeffrey/F-8578-2015; Foundry, Molecular/G-9968-2014 OI Neaton, Jeffrey/0000-0001-7585-6135; FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences [DE-FG02-12ER16362]; U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering [DE-AC02-05CH11231] FX The research was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences under award DE-FG02-12ER16362. Work at the Molecular Foundry was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under contract no. DE-AC02-05CH11231. NR 89 TC 18 Z9 18 U1 7 U2 22 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1549-9618 EI 1549-9626 J9 J CHEM THEORY COMPUT JI J. Chem. Theory Comput. PD APR PY 2015 VL 11 IS 4 BP 1481 EP 1492 DI 10.1021/ct501050s PG 12 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA CG3JM UT WOS:000353176500015 PM 26574359 ER PT J AU Miliordos, E Xantheas, SS AF Miliordos, Evangelos Xantheas, Sotiris S. TI Ground and Excited States of the [Fe(H2O)(6)](2+) and [Fe(H2O)(6)](3+) Clusters: Insight into the Electronic Structure of the [Fe(H2O)(6)](2+)-[Fe(H2O)(6)](3+) Complex SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION LA English DT Article ID MOLECULAR-DYNAMICS SIMULATION; OXIDATION-REDUCTION REACTIONS; MULTIREFERENCE PERTURBATION-THEORY; TRANSITION-METAL IONS; AB-INITIO; EXCHANGE REACTION; HYDRATION SHELLS; AQUEOUS-SOLUTION; FERRIC IONS; BASIS-SETS AB We report the ground and low-lying electronically excited states of the [Fe(H2O)(6)](2+) and [Fe(H2O)(6)](3+) clusters using multiconfiguration electronic structure theory. In particular, we have constructed the potential energy curves (PECs) with respect to the iron-oxygen distance when removing all water ligands at the same time from the cluster minima and established their correlation to the long-range dissociation channels. Due to the fact that both the second and third ionization potentials of iron are larger than the one for water, the ground-state products asymptotically correlate with dissociation channels that are repulsive in nature at large separations, as they contain at least one H2O+ fragment and a singly positively charged metal center (Fe+). The most stable equilibrium structures emanate, via intersections and/or avoided crossings, from the channels consisting of the lowest electronic states of Fe2+(D-5, 3d(6)) or Fe3+(S-6, 3d(5)) and six neutral water molecules. Upon hydration, the ground state of Fe2+(H2O)(6) is a triply (T-5(g)) degenerate one, with the doubly (E-5(g)) degenerate state lying similar to 20 kcal/mol higher in energy. Similarly, the Fe3+(H2O)(6) cluster has a ground state of 6Ag symmetry under Th symmetry, which is well-separated from the first excited state. We also examine a multitude of electronically excited states of many possible spin multiplicities and report the optimized geometries for several selected states. The PECs of those states exhibit a high density of states. Focusing on the ground and the first few excited states of the [Fe(H2O)(6)](2+) and [Fe(H2O)(6)](3+) clusters, we studied their mutual interaction in the gas phase. We obtained the optimal geometries of the Fe2+(H2O)(6)-Fe3+(H2O)(6) gas-phase complex for different Fe-Fe distances. For distances shorter than 6.0 angstrom, the water molecules in the respective first solvation shells located between the two metal centers were found to interact via weak hydrogen bonds. We examined a total of 10 electronic states for this complex, including those corresponding to the electron transfer (ET) from the ferrous to the ferric ion. The ET process is discussed and a possible path via a quasi-symmetric transition state is suggested. C1 [Miliordos, Evangelos; Xantheas, Sotiris S.] Pacific NW Natl Lab, Div Phys Sci, Richland, WA 99352 USA. RP Xantheas, SS (reprint author), Pacific NW Natl Lab, Div Phys Sci, 902 Battelle Blvd,POB 999,MS K1-83, Richland, WA 99352 USA. EM sotiris.xantheas@pnnl.gov RI Xantheas, Sotiris/L-1239-2015 FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences. Pacific Northwest National Laboratory (PNNL) is a multiprogram national laboratory operated for DOE by Battelle. This research used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the U.S. Department of Energy under contract no. DE-AC02-05CH11231. NR 77 TC 0 Z9 0 U1 4 U2 23 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1549-9618 EI 1549-9626 J9 J CHEM THEORY COMPUT JI J. Chem. Theory Comput. PD APR PY 2015 VL 11 IS 4 BP 1549 EP 1563 DI 10.1021/ct501143c PG 15 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA CG3JM UT WOS:000353176500022 PM 26574365 ER PT J AU Zarzycki, P Smith, DM Rosso, KM AF Zarzycki, Piotr Smith, Dayle M. Rosso, Kevin M. TI Proton Dynamics on Goethite Nanoparticles and Coupling to Electron Transport SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION LA English DT Article ID PH MOLECULAR-DYNAMICS; OXIDE-WATER INTERFACE; IRON ISOTOPE FRACTIONATION; ALPHA-FE2O3 CRYSTAL FACES; REACTIVE SURFACE GROUPS; TRACE-ELEMENT RELEASE; CONSTANT-PH; REPLICA-EXCHANGE; HEMATITE ALPHA-FE2O3; LIQUID WATER AB The surface chemistry of metal oxide particles is governed by the charge that develops at the interface with aqueous solution. Mineral transformation, biogeochemical reactions, remediation, and sorption dynamics are profoundly affected in response. Here we report implementation of replica-exchange constant-pH molecular dynamics simulations that use classical molecular dynamics for exploring configurational space and Metropolis Monte Carlo walking through protonation space with a simulated annealing escape route from metastable configurations. By examining the archetypal metal oxide, goethite (alpha-FeOOH), we find that electrostatic potential gradients spontaneously arise between intersecting low-index crystal faces and across explicitly treated oxide nanoparticles at a magnitude exceeding the Johnson-Nyquist voltage fluctuation. Fluctuations in adsorbed proton density continuously repolarize the surface potential bias between edge-sharing crystal faces, at a rate slower than the reported electron-polaron hopping rate in goethite interiors. This suggests that these spontaneous surface potential fluctuations will control the net movement of charge carriers in the lattice. C1 [Zarzycki, Piotr] Polish Acad Sci, Inst Phys Chem, PL-01224 Warsaw, Poland. [Smith, Dayle M.; Rosso, Kevin M.] Pacific NW Natl Lab, Richland, WA 99354 USA. RP Zarzycki, P (reprint author), Polish Acad Sci, Inst Phys Chem, PL-01224 Warsaw, Poland. EM zarzycki.piotrek@gmail.com OI Zarzycki, Piotr/0000-0003-3891-7159 FU Ministry of Science and Higher Education (Poland) [IP2012 059872]; Geosciences Research Program at Pacific Northwest National Laboratory (PNNL) - U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences (BES), Division of Chemical Sciences, Geosciences Biosciences; DOE's Office of Biological and Environmental Research FX This work was supported by the Ministry of Science and Higher Education (Poland), grant IP2012 059872, and by the Geosciences Research Program at Pacific Northwest National Laboratory (PNNL), sponsored by the U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences (BES), Division of Chemical Sciences, Geosciences & Biosciences. A portion of this research was performed using EMSL, a national scientific user facility sponsored by the DOE's Office of Biological and Environmental Research and located at PNNL. PNNL is a multiprogram national laboratory operated for DOE by Battelle. NR 88 TC 2 Z9 2 U1 4 U2 30 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1549-9618 EI 1549-9626 J9 J CHEM THEORY COMPUT JI J. Chem. Theory Comput. PD APR PY 2015 VL 11 IS 4 BP 1715 EP 1724 DI 10.1021/ct500891a PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA CG3JM UT WOS:000353176500039 PM 26574382 ER PT J AU Choi, SJ Bennett, P Lee, D Bokor, J AF Choi, Sung-Jin Bennett, Patrick Lee, Dongil Bokor, Jeffrey TI Highly uniform carbon nanotube nanomesh network transistors SO NANO RESEARCH LA English DT Article DE carbon nanotube; network; thin-film transistor; nanomesh; solution process; highly uniform ID THIN-FILM TRANSISTORS; FIELD-EFFECT TRANSISTORS; ALIGNED ARRAYS; INTEGRATED-CIRCUITS; OHMIC CONTACTS; LOGIC GATES; ELECTRONICS; DIELECTRICS; DENSITY; TRANSPARENT AB A new type of single-walled carbon nanotube (SWNT) thin-film transistor (TFT) structure with a nanomesh network channel has been fabricated from a preseparated semiconducting nanotube solution and simultaneously achieved both high uniformity and a high on/off ratio for application in large-scale integrated circuits. The nanomesh structure is prepared on a high-density SWNT network channel and enables a high on/off ratio while maintaining the excellent uniformity of the electrical properties of the SWNT TFTs. These effects are attributed to the effective elimination of metallic paths across the source/drain electrodes by forming the nanomesh structure in the high-density SWNT network channel. Therefore, our approach can serve as a critical foundation for future nanotube-based thinfilm display electronics. C1 [Choi, Sung-Jin] Kookmin Univ, Sch Elect Engn, Seoul 136702, South Korea. [Bennett, Patrick; Bokor, Jeffrey] Univ Calif Berkeley, Dept Elect Engn & Comp Sci, Berkeley, CA 94720 USA. [Bennett, Patrick] Univ Calif Berkeley, Appl Sci & Technol, Berkeley, CA 94720 USA. [Lee, Dongil] Korea Adv Inst Sci & Technol, Dept Elect Engn, Daejeon 305701, South Korea. [Bokor, Jeffrey] Lawrence Berkeley Natl Labs, Div Mat Sci, Berkeley, CA 94720 USA. RP Bokor, J (reprint author), Univ Calif Berkeley, Dept Elect Engn & Comp Sci, Berkeley, CA 94720 USA. EM jbokor@eecs.berkeley.edu FU National Research Foundation of Republic of Korea (NRF) - Republic of Korea government (Ministry of Education, Science and Technology, MEST) [2013057870]; Educational Research Team for Creative Engineers on Material-Device-Circuit Co-Design under Grant BK21+; MSD Focus Center Program; Office of Naval Research BRC Program FX This research was supported by the National Research Foundation of Republic of Korea (NRF) grant funded by the Republic of Korea government (Ministry of Education, Science and Technology, MEST) (No. 2013057870), in part by the Educational Research Team for Creative Engineers on Material-Device-Circuit Co-Design under Grant BK21+, in part by the MSD Focus Center Program, and the Office of Naval Research BRC Program. NR 36 TC 3 Z9 3 U1 2 U2 41 PU TSINGHUA UNIV PRESS PI BEIJING PA TSINGHUA UNIV, RM A703, XUEYAN BLDG, BEIJING, 10084, PEOPLES R CHINA SN 1998-0124 EI 1998-0000 J9 NANO RES JI Nano Res. PD APR PY 2015 VL 8 IS 4 BP 1320 EP 1326 DI 10.1007/s12274-014-0623-8 PG 7 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CH1UR UT WOS:000353807500025 ER PT J AU Bolla, JR Su, CC Delmar, JA Radhakrishnan, A Kumar, N Chou, TH Long, F Rajashankar, KR Yu, EW AF Bolla, Jani Reddy Su, Chih-Chia Delmar, Jared A. Radhakrishnan, Abhijith Kumar, Nitin Chou, Tsung-Han Long, Feng Rajashankar, Kanagalaghatta R. Yu, Edward W. TI Crystal structure of the Alcanivorax borkumensis YdaH transporter reveals an unusual topology SO NATURE COMMUNICATIONS LA English DT Article ID P-AMINOBENZOYL-GLUTAMATE; FOLIC-ACID; ESCHERICHIA-COLI; PLASMODIUM-FALCIPARUM; NEISSERIA-GONORRHOEAE; ANTIMICROBIAL RESISTANCE; DIHYDROPTEROATE SYNTHETASE; ENZYMATIC SYNTHESIS; BIOSYNTHESIS; MUTATIONS AB The potential of the folic acid biosynthesis pathway as a target for the development of antibiotics has been clinically validated. However, many pathogens have developed resistance to these antibiotics, prompting a re-evaluation of potential drug targets within the pathway. The ydaH gene of Alcanivorax borkumensis encodes an integral membrane protein of the AbgT family of transporters for which no structural information was available. Here we report the crystal structure of A. borkumensis YdaH, revealing a dimeric molecule with an architecture distinct from other families of transporters. YdaH is a bowl-shaped dimer with a solvent-filled basin extending from the cytoplasm to halfway across the membrane bilayer. Each subunit of the transporter contains nine transmembrane helices and two hairpins that suggest a plausible pathway for substrate transport. Further analyses also suggest that YdaH could act as an antibiotic efflux pump and mediate bacterial resistance to sulfonamide antimetabolite drugs. C1 [Bolla, Jani Reddy; Radhakrishnan, Abhijith; Kumar, Nitin; Yu, Edward W.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. [Su, Chih-Chia; Delmar, Jared A.; Chou, Tsung-Han; Long, Feng; Yu, Edward W.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Rajashankar, Kanagalaghatta R.] Cornell Univ, Argonne Natl Lab, NE CAT, Argonne, IL 60439 USA. [Rajashankar, Kanagalaghatta R.] Cornell Univ, Argonne Natl Lab, Dept Chem & Chem Biol, Argonne, IL 60439 USA. RP Yu, EW (reprint author), Iowa State Univ, Dept Chem, Ames, IA 50011 USA. EM ewyu@iastate.edu FU NIH [R01GM086431]; National Institutes of General Medical Sciences [GM103403]; U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX This work was supported by an NIH Grant R01GM086431 (E.W.Y.). This work is based on research conducted at the Northeastern Collaborative Access Team beamlines of the Advanced Photon Source, supported by an award GM103403 from the National Institutes of General Medical Sciences. Use of the Advanced Photon Source is supported by the U.S. Department of Energy, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. We are grateful to Dr XiKui Fang (Ames Laboratory) for providing us the Na9[beta-SiW9O34H].23H2O complex used in this study. We are very thankful to Marit Nilsen-Hamilton (Iowa State University) who generously made her radioactivity counter available for us. We are particularly grateful to Simon Silver (University of Illinois at Chicago) for his careful and kind proofreading of our manuscript. NR 47 TC 9 Z9 9 U1 3 U2 10 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD APR PY 2015 VL 6 AR 6874 DI 10.1038/ncomms7874 PG 10 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CH0IQ UT WOS:000353703400041 PM 25892120 ER PT J AU Cary, SK Vasiliu, M Baumbach, RE Stritzinger, JT Green, TD Diefenbach, K Cross, JN Knappenberger, KL Liu, G Silver, MA DePrince, AE Polinski, MJ Van Cleve, SM House, JH Kikugawa, N Gallagher, A Arico, AA Dixon, DA Albrecht-Schmitt, TE AF Cary, Samantha K. Vasiliu, Monica Baumbach, Ryan E. Stritzinger, Jared T. Green, Thomas D. Diefenbach, Kariem Cross, Justin N. Knappenberger, Kenneth L. Liu, Guokui Silver, Mark A. DePrince, A. Eugene Polinski, Matthew J. Van Cleve, Shelley M. House, Jane H. Kikugawa, Naoki Gallagher, Andrew Arico, Alexandra A. Dixon, David A. Albrecht-Schmitt, Thomas E. TI Emergence of californium as the second transitional element in the actinide series SO NATURE COMMUNICATIONS LA English DT Article ID CRYSTAL-STRUCTURE; STRUCTURAL CHEMISTRY; ELECTRONIC-STRUCTURE; MAGNETIC-PROPERTIES; SOLID-STATE; AQUA ION; COVALENCY; COMPLEXES; SPECTRA; LIGAND AB A break in periodicity occurs in the actinide series between plutonium and americium as the result of the localization of 5f electrons. The subsequent chemistry of later actinides is thought to closely parallel lanthanides in that bonding is expected to be ionic and complexation should not substantially alter the electronic structure of the metal ions. Here we demonstrate that ligation of californium(III) by a pyridine derivative results in significant deviations in the properties of the resultant complex with respect to that predicted for the free ion. We expand on this by characterizing the americium and curium analogues for comparison, and show that these pronounced effects result from a second transition in periodicity in the actinide series that occurs, in part, because of the stabilization of the divalent oxidation state. The metastability of californium(II) is responsible for many of the unusual properties of californium including the green photoluminescence. C1 [Cary, Samantha K.; Stritzinger, Jared T.; Green, Thomas D.; Diefenbach, Kariem; Cross, Justin N.; Knappenberger, Kenneth L.; Silver, Mark A.; DePrince, A. Eugene; Polinski, Matthew J.; House, Jane H.; Arico, Alexandra A.; Albrecht-Schmitt, Thomas E.] Florida State Univ, Dept Chem & Biochem, Tallahassee, FL 32306 USA. [Vasiliu, Monica; Dixon, David A.] Univ Alabama, Dept Chem, Tuscaloosa, AL 35487 USA. [Baumbach, Ryan E.; Gallagher, Andrew] Natl High Magnet Field Lab, Tallahassee, FL 32310 USA. [Liu, Guokui] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Van Cleve, Shelley M.] Oak Ridge Natl Lab, Nucl Mat Proc Grp, Oak Ridge, TN 37830 USA. [Kikugawa, Naoki] Natl Inst Mat Sci, Tsukuba, Ibaraki 3050047, Japan. RP Albrecht-Schmitt, TE (reprint author), Florida State Univ, Dept Chem & Biochem, Tallahassee, FL 32306 USA. EM albrecht-schmitt@chem.fsu.edu OI Cross, Justin/0000-0003-1881-155X FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Heavy Elements Chemistry Program [DE-FG02-13ER16414, DE-AC02-06CH11357]; Robert Ramsay Chair Fund of The University of Alabama; National Science Foundation [DMR-1157490]; State of Florida; U.S. Department of Energy FX This material is based on work supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Heavy Elements Chemistry Program, under Award Number DE-FG02-13ER16414 (TEA-S) and DE-AC02-06CH11357 (GL and DAD). We are especially grateful for the assistance and supervision by the Office of Environmental Health and Safety at FSU; specifically Jason A. Johnson and Ashley L. Gray of the Office of Radiation Safety for their facilitation of these studies. D.A.D. thanks the Robert Ramsay Chair Fund of The University of Alabama for partial support. The isotopes used in this research were supplied by the U.S. Department of Energy, Office of Science, by the Isotope Program in the Office of Nuclear Physics. The 243Am, 248Cm and 249Cf were provided to Florida State University via the Isotope Development and Production for Research and Applications Program through the Radiochemical Engineering and Development Center at Oak Ridge National Laboratory. The 249Cf was purchased via the Gregory R. Choppin Chair Endowment. Magnetization measurements using the VSM SQUID MPMS were performed at the National High Magnetic Field Laboratory, which is supported by National Science Foundation Cooperative Agreement No. DMR-1157490, the State of Florida, and the U.S. Department of Energy. NR 47 TC 11 Z9 11 U1 11 U2 64 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD APR PY 2015 VL 6 AR 6827 DI 10.1038/ncomms7827 PG 8 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CH0IO UT WOS:000353703200006 PM 25880116 ER PT J AU Chapman, DA Vorberger, J Fletcher, LB Baggott, RA Divol, L Doppner, T Falcone, RW Glenzer, SH Gregori, G Guymer, TM Kritcher, AL Landen, OL Ma, T Pak, AE Gericke, DO AF Chapman, D. A. Vorberger, J. Fletcher, L. B. Baggott, R. A. Divol, L. Doeppner, T. Falcone, R. W. Glenzer, S. H. Gregori, G. Guymer, T. M. Kritcher, A. L. Landen, O. L. Ma, T. Pak, A. E. Gericke, D. O. TI Observation of finite-wavelength screening in high-energy-density matter SO NATURE COMMUNICATIONS LA English DT Article ID PLASMAS; SCATTERING AB A key component for the description of charged particle systems is the screening of the Coulomb interaction between charge carriers. First investigated in the 1920s by Debye and Huckel for electrolytes, charge screening is important for determining the structural and transport properties of matter as diverse as astrophysical and laboratory plasmas, nuclear matter such as quark-gluon plasmas, electrons in solids, planetary cores and charged macromolecules. For systems with negligible dynamics, screening is still mostly described using a Debye-Huckel-type approach. Here, we report the novel observation of a significant departure from the Debye-Huckel-type model in high-energy-density matter by probing laser-driven, shock-compressed plastic with high-energy X-rays. We use spectrally resolved X-ray scattering in a geometry that enables direct investigation of the screening cloud, and demonstrate that the observed elastic scattering amplitude is only well described within a more general approach. C1 [Chapman, D. A.; Guymer, T. M.] AWE Plc, Dept Radiat Phys, Reading RG7 4PR, Berks, England. [Chapman, D. A.; Baggott, R. A.; Gericke, D. O.] Univ Warwick, Dept Phys, Ctr Fus Space & Astrophys, Coventry CV4 7AL, W Midlands, England. [Vorberger, J.] Max Planck Inst Phys Komplexer Syst, D-01187 Dresden, Germany. [Fletcher, L. B.; Glenzer, S. H.] SLAC Natl Accelerator Lab, High Energy Dens Sci Div, Menlo Pk, CA 94025 USA. [Divol, L.; Doeppner, T.; Kritcher, A. L.; Landen, O. L.; Ma, T.; Pak, A. E.] Lawrence Livermore Natl Lab, Natl Ignit Facil & Photon Sci Directorate, Livermore, CA 94550 USA. [Falcone, R. W.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Gregori, G.] Univ Oxford, Dept Phys, Oxford OX1 3PU, England. RP Chapman, DA (reprint author), AWE Plc, Dept Radiat Phys, Reading RG7 4PR, Berks, England. EM david.chapman@awe.co.uk RI Vorberger, Jan/D-9162-2015; OI Baggott, Rory/0000-0003-0331-8164 FU UK's EPSRC; Lawrence Livermore National Laboratory [DE-AC52-07 NA27344]; LDRD [11-ER-050]; NLUF [DE-FG52-07 NA28057, DE-FG52-09 NA29035, DE-NA0000910]; DOE Office of Science, Fusion Energy Science [FWP 100182]; DOE NNSA [DE-FG52-10 NA29649] FX D.A.C., R.A.B. and D.O.G. thank the UK's EPSRC for support. Part of this work was performed by the assistance of Lawrence Livermore National Laboratory under Contract DE-AC52-07 NA27344 and supported by LDRD grant 11-ER-050, as well as the NLUF Grants DE-FG52-07 NA28057 and DE-FG52-09 NA29035. The work by SLAC HED was supported by DOE Office of Science, Fusion Energy Science under FWP 100182. R.W.F. acknowledges support from the NLUF Grant DE-NA0000910 and DOE NNSA award DE-FG52-10 NA29649. NR 41 TC 7 Z9 7 U1 2 U2 25 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD APR PY 2015 VL 6 AR 6839 DI 10.1038/ncomms7839 PG 7 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CH0IQ UT WOS:000353703400006 PM 25904218 ER PT J AU Chen, X Weathers, A Carrete, J Mukhopadhyay, S Delaire, O Stewart, DA Mingo, N Girard, SN Ma, J Abernathy, DL Yan, JQ Sheshka, R Sellan, DP Meng, F Jin, S Zhou, JS Shi, L AF Chen, Xi Weathers, Annie Carrete, Jesus Mukhopadhyay, Saikat Delaire, Olivier Stewart, Derek A. Mingo, Natalio Girard, Steven N. Ma, Jie Abernathy, Douglas L. Yan, Jiaqiang Sheshka, Raman Sellan, Daniel P. Meng, Fei Jin, Song Zhou, Jianshi Shi, Li TI Twisting phonons in complex crystals with quasi-one-dimensional substructures SO NATURE COMMUNICATIONS LA English DT Article ID HIGHER MANGANESE SILICIDE; HIGH-THERMOELECTRIC PERFORMANCE; TOTAL-ENERGY CALCULATIONS; AUGMENTED-WAVE METHOD; THERMAL-CONDUCTIVITY; SINGLE-CRYSTALS; HIGH FIGURE; BASIS-SET; MNSI; SCATTERING AB A variety of crystals contain quasi-one-dimensional substructures, which yield distinctive electronic, spintronic, optical and thermoelectric properties. There is a lack of understanding of the lattice dynamics that influences the properties of such complex crystals. Here we employ inelastic neutron scatting measurements and density functional theory calculations to show that numerous low-energy optical vibrational modes exist in higher manganese silicides, an example of such crystals. These optical modes, including unusually low-frequency twisting motions of the Si ladders inside the Mn chimneys, provide a large phase space for scattering acoustic phonons. A hybrid phonon and diffuson model is proposed to explain the low and anisotropic thermal conductivity of higher manganese silicides and to evaluate nanostructuring as an approach to further suppress the thermal conductivity and enhance the thermoelectric energy conversion efficiency. This discovery offers new insights into the structure-property relationships of a broad class of materials with quasi-one-dimensional substructures for various applications. C1 [Chen, Xi; Zhou, Jianshi; Shi, Li] Univ Texas Austin, Mat Sci & Engn Program, Texas Mat Inst, Austin, TX 78712 USA. [Weathers, Annie; Sellan, Daniel P.; Shi, Li] Univ Texas Austin, Dept Mech Engn, Austin, TX 78712 USA. [Carrete, Jesus; Mingo, Natalio; Sheshka, Raman] Commissariat Energie Atom Grenoble, Lab Innovat Technol Energies Nouvelles & Nanomat, F-38054 Grenoble, France. [Mukhopadhyay, Saikat; Stewart, Derek A.] Cornell Univ, Cornell Nanoscale Facil, Ithaca, NY 14853 USA. [Delaire, Olivier; Yan, Jiaqiang] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Girard, Steven N.; Meng, Fei; Jin, Song] Univ Wisconsin, Dept Chem, Madison, WI 53706 USA. [Ma, Jie; Abernathy, Douglas L.] Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA. [Yan, Jiaqiang] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. RP Delaire, O (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. EM delaireoa@ornl.gov; derek.stewart@cornell.edu; natalio.mingo@cea.fr; lishi@mail.utexas.edu RI Shi, Li/C-8123-2013; Jin, Song/B-4300-2008; Abernathy, Douglas/A-3038-2012; Stewart, Derek/B-6115-2008; Carrete Montana, Jesus/G-9490-2012; Ma, Jie/C-1637-2013; BL18, ARCS/A-3000-2012; Mukhopadhyay, Saikat/B-4402-2011 OI Shi, Li/0000-0002-5401-6839; Stewart, Derek/0000-0001-7355-2605; Abernathy, Douglas/0000-0002-3533-003X; Carrete Montana, Jesus/0000-0003-0971-1098; FU US National Science Foundation (NSF), Department of Energy (DOE) Joint Thermoelectric Partnership (NSF) [CBET-1048767, CBET-1048625]; NSF Graduate Research Fellowship; U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division, through the Office of Science Early Career Research Program; U.S. Department of Energy, Office of Basic Energy Sciences, Materials Sciences and Engineering Division; Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy; NSF SEES Postdoctoral Fellowship (NSF) [EEC-1313968]; National Science Foundation [CBET-1066406]; project Carnot SIEVE; NSF; NSERC Postdoctoral Fellowship FX The work is primarily supported by the ZUS National Science Foundation (NSF), Department of Energy (DOE) Joint Thermoelectric Partnership (NSF award numbers: CBET-1048767 and CBET-1048625). A.W. is supported by a NSF Graduate Research Fellowship. O.D. acknowledges support by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division, through the Office of Science Early Career Research Program. J.Y. was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Materials Sciences and Engineering Division. Part of the research conducted at Oak Ridge National Laboratory's Spallation Neutron Source (SNS) and High Flux Isotope Reactor (HFIR) was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy. S.N.G. gratefully acknowledges support from the NSF SEES Postdoctoral Fellowship (NSF award number EEC-1313968). D.A.S. acknowledges support from the National Science Foundation under Grant No. CBET-1066406. J.C. and N.M. acknowledge support from project Carnot SIEVE. A portion of the simulations for this work were performed on the Intel Cluster at the Cornell Nanoscale Facility, part of the National Nanotechnology Infrastructure Network (NNIN) funded by NSF. Additional simulations were made possible through Texas Advanced Computing Center (TACC) at The University of Texas at Austin and Research Services at Boston College. D.P.S. acknowledges support from the NSERC Postdoctoral Fellowship. The far infrared measurements were carried out with the help of Dr Mikhail Belkin and Feng Lu at the University of Texas at Austin. L.S. thanks David Broido for pointing out anisotropic phonon life time in Si and PbTe, and Ray Orbach for sharing insights on vibrational hoping in disordered systems. NR 57 TC 14 Z9 14 U1 11 U2 82 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD APR PY 2015 VL 6 AR 6723 DI 10.1038/ncomms7723 PG 9 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CH0HZ UT WOS:000353701700002 PM 25872781 ER PT J AU Chen, Y Yu, KY Liu, Y Shao, S Wang, H Kirk, MA Wang, J Zhang, X AF Chen, Y. Yu, K. Y. Liu, Y. Shao, S. Wang, H. Kirk, M. A. Wang, J. Zhang, X. TI Damage-tolerant nanotwinned metals with nanovoids under radiation environments SO NATURE COMMUNICATIONS LA English DT Article ID AUSTENITIC STAINLESS-STEEL; STACKING-FAULT TETRAHEDRA; GRAIN-BOUNDARIES; TWIN BOUNDARIES; IN-SITU; VACANCY CLUSTERS; MAXIMUM STRENGTH; GROWTH TWINS; FCC METALS; IRRADIATION AB Material performance in extreme radiation environments is central to the design of future nuclear reactors. Radiation induces significant damage in the form of dislocation loops and voids in irradiated materials, and continuous radiation often leads to void growth and subsequent void swelling in metals with low stacking fault energy. Here we show that by using in situ heavy ion irradiation in a transmission electron microscope, pre-introduced nanovoids in nanotwinned Cu efficiently absorb radiation-induced defects accompanied by gradual elimination of nanovoids, enhancing radiation tolerance of Cu. In situ studies and atomistic simulations reveal that such remarkable self-healing capability stems from high density of coherent and incoherent twin boundaries that rapidly capture and transport point defects and dislocation loops to nanovoids, which act as storage bins for interstitial loops. This study describes a counterintuitive yet significant concept: deliberate introduction of nanovoids in conjunction with nanotwins enables unprecedented damage tolerance in metallic materials. C1 [Chen, Y.; Liu, Y.; Wang, H.; Zhang, X.] Texas A&M Univ, Dept Mat Sci & Engn, College Stn, TX 77843 USA. [Yu, K. Y.] China Univ Petr, Dept Mat Sci & Engn, Beijing 102246, Peoples R China. [Shao, S.; Wang, J.] Los Alamos Natl Lab, MST 8, Los Alamos, NM 87545 USA. [Wang, H.] Texas A&M Univ, Dept Elect & Comp Engn, College Stn, TX 77843 USA. [Kirk, M. A.] Argonne Natl Lab, Nucl Engn Div, Argonne, IL 60439 USA. [Wang, J.] Univ Nebraska, Dept Mech & Mat Engn, Lincoln, NE 68588 USA. [Zhang, X.] Texas A&M Univ, Dept Mech Engn, College Stn, TX 77843 USA. RP Wang, J (reprint author), Los Alamos Natl Lab, MST 8, POB 1663, Los Alamos, NM 87545 USA. EM wangj6@gmail.com; zhangx@tamu.edu RI Shao, Shuai/B-2037-2014; Yu, Kaiyuan /B-8398-2014; Wang, Jian/F-2669-2012; Chen, Youxing/P-5006-2016; Liu, Yue/H-4071-2014; Zhang, Xinghang/N-8341-2016 OI Shao, Shuai/0000-0002-4718-2783; Yu, Kaiyuan /0000-0002-5442-2992; Wang, Jian/0000-0001-5130-300X; Chen, Youxing/0000-0003-1111-4495; Liu, Yue/0000-0001-8518-5734; Zhang, Xinghang/0000-0002-8380-8667 FU NSF-DMR-Metallic Materials and Nanostructures Program [1304101]; DOE-OBES [DE-SC0010482]; Los Alamos National Laboratory Directed Research and Development [LDRD-ER20140450]; DOE-Office of Nuclear Energy; Texas A&M University Online Access to Knowledge (OAK) Fund; University Libraries; Office of the Vice President for Research FX Y.C. and X.Z. acknowledge financial support primarily by NSF-DMR-Metallic Materials and Nanostructures Program under grant no. 1304101 (in situ radiation and microscopy). Y.L. who works on fabrication of nanotwinned metals is supported by DOE-OBES under grant no. DE-SC0010482. S.S. and J.W. acknowledge the support provided by the Los Alamos National Laboratory Directed Research and Development (LDRD-ER20140450) and J.W. also acknowledges the Start-up provided by the University of Nebraska-Lincoln. We also thank Peter M. Baldo and Edward A. Ryan at Argonne National Laboratory and L. Jiao in Texas A&M University for their help during in situ irradiation experiments. The IVEM facility at Argonne National Laboratory is supported by DOE-Office of Nuclear Energy. Access to the DOE-Center for Integrated Nanotechnologies (CINT) at Los Alamos and Sandia National Laboratories and Microscopy and Imaging Center at Texas A&M University is also acknowledged. The open access publishing fees for this article have been covered by the Texas A&M University Online Access to Knowledge (OAK) Fund, supported by the University Libraries and the Office of the Vice President for Research. NR 60 TC 20 Z9 20 U1 23 U2 86 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD APR PY 2015 VL 6 AR 7036 DI 10.1038/ncomms8036 PG 8 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CH0KB UT WOS:000353707300002 PM 25906997 ER PT J AU Hines, WC Yaswen, P Bissell, MJ AF Hines, William C. Yaswen, Paul Bissell, Mina J. TI Modelling breast cancer requires identification and correction of a critical cell lineage-dependent transduction bias SO NATURE COMMUNICATIONS LA English DT Article ID MAMMARY EPITHELIAL-CELLS; VESICULAR STOMATITIS-VIRUS; LARGE-SCALE PRODUCTION; MOLECULAR PORTRAITS; LENTIVIRUS VECTOR; DEFINED MEDIUM; GENE-TRANSFER; TRANSFORMATION; TUMORS; GLYCOPROTEIN AB Clinically relevant human culture models are essential for developing effective therapies and exploring the biology and etiology of human cancers. Current breast tumour models, such as those from oncogenically transformed primary breast cells, produce predominantly basal-like properties, whereas the more common phenotype expressed by the vast majority of breast tumours are luminal. Reasons for this puzzling, yet important phenomenon, are not understood. We show here that luminal epithelial cells are significantly more resistant to viral transduction than their myoepithelial counterparts. We suggest that this is a significant barrier to generating luminal cell lines and experimental tumours in vivo and to accurate interpretation of results. We show that the resistance is due to lower affinity of luminal cells for virus attachment, which can be overcome by pretreating cells-or virus-with neuraminidase. We present an analytical method for quantifying transductional differences between cell types and an optimized protocol for transducing unsorted primary human breast cells in context. C1 [Hines, William C.; Yaswen, Paul; Bissell, Mina J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. RP Bissell, MJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Mailstop 977R225A,1 Cyclotron Rd, Berkeley, CA 94720 USA. EM chines@lbl.gov; mjbissell@lbl.gov FU Komen Foundation [PDF0707408]; NIH HHS/United States [U01 ES019458/ES/NIEHS]; U.S. Department of Defense [W81XWH0810736, W81XWH12M9532]; National Cancer Institute [R37CA064786, R01CA140663, U54CA112970, U01CA143233, U54CA143836]; U.S. Department of Energy, Office of Biological and Environmental Research and Low Dose Scientific Focus Area [DE-AC02-05CH1123] FX We thank Irene Kuhn, Alex Bazarov and Ritu Mukhopadhyay (Lawrence Berkeley National Laboratory), Sandy Borowsky (U.C. Davis) and Curtis Hines (Sandia National Laboratory, retired) for thoughtful scientific discussions and critical review of the manuscript. We thank Kate Thi, Gaelen Stanford-Moore, Maria Rojec, Melody Ju and Xuefei Tian for their technical assistance and Jim Garbe for providing M87 cell medium. We express special gratitude to Michelle Scott of the LBNL flow cytometry and microscopy facility for her expert technical advice and assistance. Grant support: Komen Foundation PDF0707408 (W.C.H.), U01 ES019458/ES/NIEHS NIH HHS/United States (P.Y.), an Innovator award to M.J.B. from the U.S. Department of Defense (W81XWH0810736 and W81XWH12M9532) and in part by National Cancer Institute awards (R37CA064786, R01CA140663, U54CA112970, U01CA143233 and U54CA143836-Bay Area Physical Sciences-Oncology Center, University of California, Berkeley, California) and by grants from the U.S. Department of Energy, Office of Biological and Environmental Research and Low Dose Scientific Focus Area (contract no. DE-AC02-05CH1123) and the Breast Cancer Research Foundation. The funders had no role in the study design, data collection and analysis, decision to publish or preparation of the manuscript. NR 42 TC 5 Z9 5 U1 2 U2 6 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD APR PY 2015 VL 6 AR 6927 DI 10.1038/ncomms7927 PG 11 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CH0IW UT WOS:000353704100035 PM 25896888 ER PT J AU Hong, MKH Macintyre, G Wedge, DC Van Loo, P Patel, K Lunke, S Alexandrov, LB Sloggett, C Cmero, M Marass, F Tsui, D Mangiola, S Lonie, A Naeem, H Sapre, N Phal, PM Kurganovs, N Chin, XW Kerger, M Warren, AY Neal, D Gnanapragasam, V Rosenfeld, N Pedersen, JS Ryan, A Haviv, I Costello, AJ Corcoran, NM Hovens, CM AF Hong, Matthew K. H. Macintyre, Geoff Wedge, David C. Van Loo, Peter Patel, Keval Lunke, Sebastian Alexandrov, Ludmil B. Sloggett, Clare Cmero, Marek Marass, Francesco Tsui, Dana Mangiola, Stefano Lonie, Andrew Naeem, Haroon Sapre, Nikhil Phal, Pramit M. Kurganovs, Natalie Chin, Xiaowen Kerger, Michael Warren, Anne Y. Neal, David Gnanapragasam, Vincent Rosenfeld, Nitzan Pedersen, John S. Ryan, Andrew Haviv, Izhak Costello, Anthony J. Corcoran, Niall M. Hovens, Christopher M. TI Tracking the origins and drivers of subclonal metastatic expansion in prostate cancer SO NATURE COMMUNICATIONS LA English DT Article ID LI-FRAUMENI-SYNDROME; 21 BREAST CANCERS; MUTATIONAL PROCESSES; GENOMIC INSTABILITY; PANCREATIC-CANCER; TYROSINE KINASE; SEQUENCING DATA; HETEROGENEITY; EVOLUTION; IDENTIFICATION AB Tumour heterogeneity in primary prostate cancer is a well-established phenomenon. However, how the subclonal diversity of tumours changes during metastasis and progression to lethality is poorly understood. Here we reveal the precise direction of metastatic spread across four lethal prostate cancer patients using whole-genome and ultra-deep targeted sequencing of longitudinally collected primary and metastatic tumours. We find one case of metastatic spread to the surgical bed causing local recurrence, and another case of cross-metastatic site seeding combining with dynamic remoulding of subclonal mixtures in response to therapy. By ultra-deep sequencing end-stage blood, we detect both metastatic and primary tumour clones, even years after removal of the prostate. Analysis of mutations associated with metastasis reveals an enrichment of TP53 mutations, and additional sequencing of metastases from 19 patients demonstrates that acquisition of TP53 mutations is linked with the expansion of subclones with metastatic potential which we can detect in the blood. C1 [Hong, Matthew K. H.; Cmero, Marek; Sapre, Nikhil; Kurganovs, Natalie; Chin, Xiaowen; Kerger, Michael; Costello, Anthony J.; Corcoran, Niall M.; Hovens, Christopher M.] Royal Melbourne Hosp, Dept Surg, Div Urol, Parkville, Vic 3050, Australia. [Hong, Matthew K. H.; Cmero, Marek; Sapre, Nikhil; Kurganovs, Natalie; Chin, Xiaowen; Kerger, Michael; Costello, Anthony J.; Corcoran, Niall M.; Hovens, Christopher M.] Univ Melbourne, Parkville, Vic 3050, Australia. [Hong, Matthew K. H.; Cmero, Marek; Sapre, Nikhil; Kurganovs, Natalie; Chin, Xiaowen; Kerger, Michael; Costello, Anthony J.; Corcoran, Niall M.; Hovens, Christopher M.] Epworth Med Fdn, Epworth Prostate Ctr, Richmond, Vic 3121, Australia. [Macintyre, Geoff; Cmero, Marek; Mangiola, Stefano; Naeem, Haroon] Univ Melbourne, Ctr Neural Engn, Dept Comp & Informat Syst, Parkville, Vic 3010, Australia. [Macintyre, Geoff; Patel, Keval; Marass, Francesco; Tsui, Dana; Neal, David; Gnanapragasam, Vincent; Rosenfeld, Nitzan] Univ Cambridge, Canc Res UK Cambridge Inst, Cambridge CB2 0RE, England. [Macintyre, Geoff; Cmero, Marek; Naeem, Haroon] Univ Melbourne, NICTA, Victoria Res Lab, Diagnost Genom, Parkville, Vic 3010, Australia. [Wedge, David C.; Van Loo, Peter; Alexandrov, Ludmil B.] Wellcome Trust Sanger Inst, Canc Genome Project, Hinxton CB10 1SA, England. [Van Loo, Peter] Katholieke Univ Leuven, Dept Human Genet, B-3000 Leuven, Belgium. [Van Loo, Peter] Canc Res UK London Res Inst, London WC2A 3LY, England. [Patel, Keval; Neal, David; Gnanapragasam, Vincent] Univ Cambridge, Addenbrookes Hosp, Hosp NHS Fdn Trust, Acad Urol Grp, Cambridge CB2 0QQ, England. [Lunke, Sebastian] Univ Melbourne, Ctr Translat Pathol, Parkville, Vic 3050, Australia. [Alexandrov, Ludmil B.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM USA. [Sloggett, Clare; Lonie, Andrew] Univ Melbourne, Victorian Life Sci Computat Initiat, Parkville, Vic 3050, Australia. [Phal, Pramit M.] Royal Melbourne Hosp, Dept Radiol, Parkville, Vic 3050, Australia. [Warren, Anne Y.] Univ Cambridge Hosp, Addenbrookes Hosp, Dept Histopathol, Cambridge CB2 0QQ, England. [Pedersen, John S.; Ryan, Andrew] TissuPath Specialist Pathol, Mt Waverley, Vic 3149, Australia. [Pedersen, John S.] Monash Univ, Fac Med, Clayton, Vic 3168, Australia. [Haviv, Izhak] Bar Ilan Univ, Sch Med, IL-1311502 Safed, Israel. RP Hovens, CM (reprint author), Royal Melbourne Hosp, Dept Surg, Div Urol, Parkville, Vic 3050, Australia. EM chovens@unimelb.edu.au OI Neal, David/0000-0002-6033-5086; Van Loo, Peter/0000-0003-0292-1949; Wedge, David/0000-0002-7572-3196; Alexandrov, Ludmil/0000-0003-3596-4515; Marass, Francesco/0000-0002-8993-7320 FU National Health and Medical Research Council, Australia, University of Melbourne (Melville Hughes Scholarship); Royal Australasian College of Surgeons; Faculty of Medicine, Dentistry and Health Sciences at the University of Melbourne; Carlo Vaccari Scholarship; APCR; NHMRC [1024081, 1047581]; Australian Department of Health and Aging to the Epworth Cancer Centre, Epworth Hospital; Victoria Research Laboratory of National ICT Australia (NICTA); University of Melbourne, Australia; Australian Government through the Department of Communications; Australian Research Council; Adden-brooke's Charitable Trust Clinical Research Training Fellowship; NIHR Cambridge Biomedical Research Centre; Cambridge Cancer Centre and Human Research Tissue Bank; National Nuclear Security Administration of the US Department of Energy; Cambridge Institute Genomics Core; Australian Genomics Research Facility; Cancer Research UK [C14303/A17197] FX We thank Ultan McDermott for discussions, Marcus Hovens for 3D tumour reconstructions, Adam Kowalczyk for guidance and mentoring and Anna Piskorz for help in interpreting the TP53 mutations. M.K.H.H. was supported by scholarships from the National Health and Medical Research Council, Australia, University of Melbourne (Melville Hughes Scholarship) and the Royal Australasian College of Surgeons (Foundation of Surgery Catherine Marie Enright Kelly and ANZ Journal of Surgery Research Scholarships). N.M.C. is the recipient of a David Bickart Clinician Research Fellowship from the Faculty of Medicine, Dentistry and Health Sciences at the University of Melbourne. M.K. is supported by the Carlo Vaccari Scholarship and APCR. This work is supported by NHMRC project grants 1024081 (N.M.C., J.S.P., A.J.C. and C.M.H.) and 1047581 (C.M.H., G.M., I.H., J.S.P., A.J.C., N.M.C.), as well as a federal grant from the Australian Department of Health and Aging to the Epworth Cancer Centre, Epworth Hospital (A.J.C., N.M.C., C.M.H.). In carrying out this research, we received funding and support from the Victoria Research Laboratory of National ICT Australia (NICTA) and the University of Melbourne, Australia. NICTA is funded by the Australian Government through the Department of Communications and the Australian Research Council through the ICT Centre of Excellence Programme. K.P. is supported by an Adden-brooke's Charitable Trust Clinical Research Training Fellowship. We thank the Cambridge Urological Biorepository, the Human Research Tissue Bank and Biomedical Research Centre for tissue processing and storage. The Cambridge Urological Biorepostory is supported by the Cambridge Cancer Centre and Human Research Tissue Bank is supported by the NIHR Cambridge Biomedical Research Centre. Research performed at Los Alamos National Laboratory was carried out under the auspices of the National Nuclear Security Administration of the US Department of Energy. We thank the Cambridge Institute Genomics Core and the Australian Genomics Research Facility for their support with this work. This work was supported by funding from Cancer Research UK C14303/A17197. NR 54 TC 58 Z9 58 U1 3 U2 18 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD APR PY 2015 VL 6 AR 6605 DI 10.1038/ncomms7605 PG 12 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CH0FO UT WOS:000353695100001 PM 25827447 ER PT J AU Kuznetsov, I Filevich, J Dong, F Woolston, M Chao, WL Anderson, EH Bernstein, ER Crick, DC Rocca, JJ Menoni, CS AF Kuznetsov, Ilya Filevich, Jorge Dong, Feng Woolston, Mark Chao, Weilun Anderson, Erik H. Bernstein, Elliot R. Crick, Dean C. Rocca, Jorge J. Menoni, Carmen S. TI Three-dimensional nanoscale molecular imaging by extreme ultraviolet laser ablation mass spectrometry SO NATURE COMMUNICATIONS LA English DT Article ID X-RAY LASER; IONIZATION; TRANSMISSION; PROTEINS; TISSUE; CELLS; MS; 3D AB Analytical probes capable of mapping molecular composition at the nanoscale are of critical importance to materials research, biology and medicine. Mass spectral imaging makes it possible to visualize the spatial organization of multiple molecular components at a sample's surface. However, it is challenging for mass spectral imaging to map molecular composition in three dimensions (3D) with submicron resolution. Here we describe a mass spectral imaging method that exploits the high 3D localization of absorbed extreme ultraviolet laser light and its fundamentally distinct interaction with matter to determine molecular composition from a volume as small as 50 zl in a single laser shot. Molecular imaging with a lateral resolution of 75 nm and a depth resolution of 20 nm is demonstrated. These results open opportunities to visualize chemical composition and chemical changes in 3D at the nanoscale. C1 [Kuznetsov, Ilya; Filevich, Jorge; Dong, Feng; Woolston, Mark; Chao, Weilun; Anderson, Erik H.; Bernstein, Elliot R.; Rocca, Jorge J.; Menoni, Carmen S.] Colorado State Univ, NSF Ctr Extreme Ultraviolet Sci & Technol, Ft Collins, CO 80523 USA. [Kuznetsov, Ilya; Filevich, Jorge; Woolston, Mark; Rocca, Jorge J.; Menoni, Carmen S.] Colorado State Univ, Dept Elect & Comp Engn, Ft Collins, CO 80523 USA. [Dong, Feng; Bernstein, Elliot R.; Menoni, Carmen S.] Colorado State Univ, Dept Chem, Ft Collins, CO 80523 USA. [Chao, Weilun; Anderson, Erik H.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Ctr Xray Opt, Berkeley, CA 94720 USA. [Crick, Dean C.] Colorado State Univ, Dept Microbiol Immunol & Pathol, Ft Collins, CO 80523 USA. [Rocca, Jorge J.] Colorado State Univ, Dept Phys, Ft Collins, CO 80523 USA. RP Menoni, CS (reprint author), Colorado State Univ, NSF Ctr Extreme Ultraviolet Sci & Technol, Ft Collins, CO 80523 USA. EM menoni@engr.colostate.edu OI Menoni, Carmen/0000-0001-9185-2572 FU NIH/NIAID [AI-065357, AI-049151]; NSF [EEC 0310717] FX We acknowledge L. Urbanski, S. Carbajo and G. Gasper for their help in sample preparation; N. Zhang for helping with data analysis and Prof. T. Orlando for useful discussions. The EUV laser used in this work is from XUV Lasers Inc. This work is supported by NIH/NIAID, Grant AI-065357 and AI-049151. It made use of facilities of the NSF Engineering Research Center, supported through NSF grant EEC 0310717. NR 23 TC 9 Z9 9 U1 8 U2 48 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD APR PY 2015 VL 6 AR 6944 DI 10.1038/ncomms7944 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CH0JB UT WOS:000353704600001 PM 25903827 ER PT J AU Lin, Y Fang, SM Su, D Brinkman, KS Chen, FL AF Lin, Ye Fang, Shumin Su, Dong Brinkman, Kyle S. Chen, Fanglin TI Enhancing grain boundary ionic conductivity in mixed ionic-electronic conductors SO NATURE COMMUNICATIONS LA English DT Article ID OXIDE FUEL-CELLS; DUAL-PHASE MEMBRANE; SPACE-CHARGE; ELECTRICAL-CONDUCTIVITY; SURFACE MODIFICATION; COMPOSITE MEMBRANES; OXYGEN PERMEATION; CERIA; PERFORMANCE; SEPARATION AB Mixed ionic-electronic conductors are widely used in devices for energy conversion and storage. Grain boundaries in these materials have nanoscale spatial dimensions, which can generate substantial resistance to ionic transport due to dopant segregation. Here, we report the concept of targeted phase formation in a Ce0.8Gd0.2O2-delta-CoFe2O4 composite that serves to enhance the grain boundary ionic conductivity. Using transmission electron microscopy and spectroscopy approaches, we probe the grain boundary charge distribution and chemical environments altered by the phase reaction between the two constituents. The formation of an emergent phase successfully avoids segregation of the Gd dopant and depletion of oxygen vacancies at the Ce0.8Gd0.2O2-delta-Ce0.8Gd0.2O2-delta grain boundary. This results in superior grain boundary ionic conductivity as demonstrated by the enhanced oxygen permeation flux. This work illustrates the control of mesoscale level transport properties in mixed ionic-electronic conductor composites through processing induced modifications of the grain boundary defect distribution. C1 [Lin, Ye; Fang, Shumin; Chen, Fanglin] Univ S Carolina, Dept Mech Engn, Columbia, SC 29208 USA. [Su, Dong] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. [Brinkman, Kyle S.] Clemson Univ, Dept Mat Sci & Engn, Clemson, SC 29634 USA. RP Brinkman, KS (reprint author), Clemson Univ, Dept Mat Sci & Engn, Clemson, SC 29634 USA. EM ksbrink@clemson.edu; chenfa@cec.sc.edu RI Chen, Fanglin/K-1039-2012; Su, Dong/A-8233-2013 OI Chen, Fanglin/0000-0001-9942-8872; Su, Dong/0000-0002-1921-6683 FU National Science Foundation [DMR-1210792]; HeteroFoaM Center, an Energy Frontier Research Center (EFRC) - U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0001061]; EFRC [B139010]; U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886, DE-SC-0011270] FX This work was supported, in part, by the National Science Foundation (DMR-1210792) and the HeteroFoaM Center, an Energy Frontier Research Center (EFRC) funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences (Award no. DE-SC0001061). Funding to Clemson University from the EFRC is provided by SCUREF/SRNS/DOE award #B139010. Electron microscopy research is carried out at the Center for Functional Nanomaterials, Brookhaven National Laboratory, which is supported by the U.S. Department of Energy, Office of Basic Energy Sciences, under contract no. DE-AC02-98CH10886 and DE-SC-0011270. We thank Ms Hsin-Hui Huang and Dr Huolin Xin for the discussion and their help on analysing our TEM and STEM-EELS data. NR 50 TC 31 Z9 31 U1 16 U2 109 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD APR PY 2015 VL 6 AR 6824 DI 10.1038/ncomms7824 PG 9 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CH0IO UT WOS:000353703200003 PM 25857355 ER PT J AU Lu, F Yager, KG Zhang, YG Xin, HL Gang, O AF Lu, Fang Yager, Kevin G. Zhang, Yugang Xin, Huolin Gang, Oleg TI Superlattices assembled through shape-induced directional binding SO NATURE COMMUNICATIONS LA English DT Article ID BUILDING-BLOCKS; NANOPARTICLE SUPERLATTICES; METAL NANOCRYSTALS; COLLOIDAL CRYSTALS; DNA; CRYSTALLIZATION; PARTICLES; PATCHY; POLYHEDRA; NANOCUBES AB Organization of spherical particles into lattices is typically driven by packing considerations. Although the addition of directional binding can significantly broaden structural diversity, nanoscale implementation remains challenging. Here we investigate the assembly of clusters and lattices in which anisotropic polyhedral blocks coordinate isotropic spherical nanoparticles via shape-induced directional interactions facilitated by DNA recognition. We show that these polyhedral blocks-cubes and octahedrons-when mixed with spheres, promote the assembly of clusters with architecture determined by polyhedron symmetry. Moreover, three-dimensional binary superlattices are formed when DNA shells accommodate the shape disparity between nanoparticle interfaces. The crystallographic symmetry of assembled lattices is determined by the spatial symmetry of the block's facets, while structural order depends on DNA-tuned interactions and particle size ratio. The presented lattice assembly strategy, exploiting shape for defining the global structure and DNA-mediation locally, opens novel possibilities for by-design fabrication of binary lattices. C1 [Lu, Fang; Yager, Kevin G.; Zhang, Yugang; Xin, Huolin; Gang, Oleg] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Gang, O (reprint author), Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. EM ogang@bnl.gov RI Yager, Kevin/F-9804-2011; Xin, Huolin/E-2747-2010 OI Yager, Kevin/0000-0001-7745-2513; Xin, Huolin/0000-0002-6521-868X FU US Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886] FX Research was carried out at the Center for Functional Nanomaterials, Brookhaven National Laboratory, supported by the US Department of Energy, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. NR 51 TC 47 Z9 48 U1 27 U2 120 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD APR PY 2015 VL 6 AR 6912 DI 10.1038/ncomms7912 PG 10 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CH0IW UT WOS:000353704100020 PM 25903309 ER PT J AU Spurgeon, SR Balachandran, PV Kepaptsoglou, DM Damodaran, AR Karthik, J Nejati, S Jones, L Ambaye, H Lauter, V Ramasse, QM Lau, KKS Martin, LW Rondinelli, JM Taheri, ML AF Spurgeon, Steven R. Balachandran, Prasanna V. Kepaptsoglou, Despoina M. Damodaran, Anoop R. Karthik, J. Nejati, Siamak Jones, Lewys Ambaye, Haile Lauter, Valeria Ramasse, Quentin M. Lau, Kenneth K. S. Martin, Lane W. Rondinelli, James M. Taheri, Mitra L. TI Polarization screening-induced magnetic phase gradients at complex oxide interfaces SO NATURE COMMUNICATIONS LA English DT Article ID TRANSMISSION ELECTRON-MICROSCOPE; TRANSITION-METAL; THIN-FILMS; HETEROSTRUCTURES; MANGANITES; DEVICES; STATE; SYSTEMS; PHYSICS; STRAIN AB Thin-film oxide heterostructures show great potential for use in spintronic memories, where electronic charge and spin are coupled to transport information. Here we use a La0.7Sr0.3MnO3 (LSMO)/PbZr0.2Ti0.8O3 (PZT) model system to explore how local variations in electronic and magnetic phases mediate this coupling. We present direct, local measurements of valence, ferroelectric polarization and magnetization, from which we map the phases at the LSMO/PZT interface. We combine these experimental results with electronic structure calculations to elucidate the microscopic interactions governing the interfacial response of this system. We observe a magnetic asymmetry at the LSMO/PZT interface that depends on the local PZT polarization and gives rise to gradients in local magnetic moments; this is associated with a metal-insulator transition at the interface, which results in significantly different charge-transfer screening lengths. This study establishes a framework to understand the fundamental asymmetries of magnetoelectric coupling in oxide heterostructures. C1 [Spurgeon, Steven R.; Balachandran, Prasanna V.; Taheri, Mitra L.] Drexel Univ, Dept Mat Sci & Engn, Philadelphia, PA 19104 USA. [Kepaptsoglou, Despoina M.; Ramasse, Quentin M.] SuperSTEM, Daresbury WA4 4AD, England. [Damodaran, Anoop R.; Martin, Lane W.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Karthik, J.] Univ Illinois, Dept Mat Sci & Engn, Urbana, IL 61801 USA. [Karthik, J.] Univ Illinois, Mat Res Lab, Urbana, IL 61801 USA. [Nejati, Siamak; Lau, Kenneth K. S.] Drexel Univ, Dept Chem & Biol Engn, Philadelphia, PA 19104 USA. [Jones, Lewys] Univ Oxford, Dept Mat, Oxford OX1 3PH, England. [Ambaye, Haile; Lauter, Valeria] Oak Ridge Natl Lab, Neutron Sci Directorate, Oak Ridge, TN 37831 USA. [Martin, Lane W.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Rondinelli, James M.] Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA. RP Taheri, ML (reprint author), Drexel Univ, Dept Mat Sci & Engn, Philadelphia, PA 19104 USA. EM mtaheri@coe.drexel.edu RI Martin, Lane/H-2409-2011; Rondinelli, James/A-2071-2009; Ambaye, Haile/D-1503-2016; Jones, Lewys/R-3501-2016; OI Martin, Lane/0000-0003-1889-2513; Rondinelli, James/0000-0003-0508-2175; Ambaye, Haile/0000-0002-8122-9952; Jones, Lewys/0000-0002-6907-0731; Spurgeon, Steven/0000-0003-1218-839X FU National Science Foundation [CMMI-1031403, ENG-1434147, DMR-1451219]; Office of Naval Research [N00014-1110-296, N00014-1410-058]; Army Research Office [W911NF-14-1-0104, W911NF-15-1-0017]; Defense Advanced Research Projects Agency [N66001-12-4224]; European Union [312483-ESTEEM2]; UK Engineering and Physical Sciences Research Council; Division of Scientific User Facilities, Office of Basic Energy Sciences, US Department of Energy [DE-AC05-00OR22725]; UT-Battelle, LLC; Department of Defense National Defense Science and Engineering Graduate (NDSEG) Fellowship FX S.R.S. and M.L.T. thank Steven May, Eun Ju Moon, Rebecca Sichel-Tissot and Brian Kirby for constructive discussions. S.R.S also thanks Jennifer D. Sloppy, Christopher R. Winkler and Michael L. Jablonski for their assistance with TEM sample preparation. We acknowledge the support from the National Science Foundation under grants #CMMI-1031403 (M.L.T. and S.R.S.), #ENG-1434147 (J.K.), #DMR-1451219 (L.W.M.), as well as from the Office of Naval Research under grants #N00014-1110-296 and #N00014-1410-058 (M.L.T. and S.R.S). A.R.D. acknowledges support from the Army Research Office under grant #W911NF-14-1-0104. P.V.B. and J.M.R. were supported by the Defense Advanced Research Projects Agency under grant #N66001-12-4224 and the Army Research Office under W911NF-15-1-0017. L.J. acknowledges the support from the European Union Seventh Framework Programme under Grant Agreement 312483-ESTEEM2 (Integrated Infrastructure Initiative I3). DFT calculations were performed with the Department of Defense Garnet ERDC machine. Electron microscopy was conducted in Drexel University's Centralized Research Facilities. Additional electron microscopy was carried out at SuperSTEM, the U.K. National Facility for Aberration-Corrected STEM supported by the UK Engineering and Physical Sciences Research Council. Neutron experiments were carried out at the Spallation Neutron Source, which is sponsored by the Division of Scientific User Facilities, Office of Basic Energy Sciences, US Department of Energy, under contract DE-AC05-00OR22725 with UT-Battelle, LLC. We gratefully acknowledge the technical assistance for PNR experiments from R.J. Goyette; Jr author S.R.S. was supported by a Department of Defense National Defense Science and Engineering Graduate (NDSEG) Fellowship. NR 69 TC 14 Z9 14 U1 12 U2 91 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD APR PY 2015 VL 6 AR 6735 DI 10.1038/ncomms7735 PG 11 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CH0IB UT WOS:000353701900004 PM 25879160 ER PT J AU Ruiz, AM Lacaze, G Oefelein, JC AF Ruiz, A. M. Lacaze, G. Oefelein, J. C. TI Flow topologies and turbulence scales in a jet-in-cross-flow SO PHYSICS OF FLUIDS LA English DT Article ID LARGE-EDDY SIMULATION; DIRECT NUMERICAL-SIMULATION; FILM-COOLING FLOWS; TRANSVERSE-JET; ROUND JET; REYNOLDS-NUMBER; MODEL; TRANSPORT; COMBUSTION; EVOLUTION AB This paper presents a detailed analysis of the flow topologies and turbulence scales in the jet-in-cross-flow experiment of Su and Mungal ["Simultaneous measurements of scalar and velocity field evolution in turbulent crossflowing jets," J. Fluid Mech. 513(1), 1-45 (2004)]. The analysis is performed using the Large Eddy Simulation (LES) technique with a highly resolved grid and time-step and well controlled boundary conditions. This enables quantitative agreement with the first and second moments of turbulence statistics measured in the experiment. LES is used to perform the analysis since experimental measurements of time-resolved 3D fields are still in their infancy and because sampling periods are generally limited with direct numerical simulation. A major focal point is the comprehensive characterization of the turbulence scales and their evolution. Time-resolved probes are used with long sampling periods to obtain maps of the integral scales, Taylor microscales, and turbulent kinetic energy spectra. Scalar-fluctuation scales are also quantified. In the near-field, coherent structures are clearly identified, both in physical and spectral space. Along the jet centerline, turbulence scales grow according to a classical one-third power law. However, the derived maps of turbulence scales reveal strong inhomogeneities in the flow. From the modeling perspective, these insights are useful to design optimized grids and improve numerical predictions in similar configurations. (C) 2015 AIP Publishing LLC. C1 [Ruiz, A. M.; Lacaze, G.; Oefelein, J. C.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. RP Ruiz, AM (reprint author), Sandia Natl Labs, Combust Res Facil, 7011 East Ave, Livermore, CA 94551 USA. EM amruiz@sandia.gov; gnlacaz@sandia.gov; oefelei@sandia.gov FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Bio-sciences; United States Department of Energy [DE-AC04-94-AL85000]; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX This material is based upon work supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Bio-sciences. Sandia National Laboratories is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under Contract No. DE-AC04-94-AL85000. This research used resources of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. We thank Professors Su and Mungal for making their data available. NR 57 TC 11 Z9 11 U1 3 U2 24 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-6631 EI 1089-7666 J9 PHYS FLUIDS JI Phys. Fluids PD APR PY 2015 VL 27 IS 4 AR 045101 DI 10.1063/1.4915065 PG 35 WC Mechanics; Physics, Fluids & Plasmas SC Mechanics; Physics GA CH2DM UT WOS:000353835700023 ER PT J AU Amendt, P Ho, DD Jones, OS AF Amendt, Peter Ho, Darwin D. Jones, Ogden S. TI High-density carbon ablator ignition path with low-density gas-filled rugby hohlraum SO PHYSICS OF PLASMAS LA English DT Article ID IMPLOSION AB A recent low gas-fill density (0.6 mg/cc He-4) cylindrical hohlraum experiment on the National Ignition Facility has shown high laser-coupling efficiency (>96%), reduced phenomenological laser drive corrections, and improved high-density carbon capsule implosion symmetry [Jones et al., Bull. Am. Phys. Soc. 59(15), 66 (2014)]. In this Letter, an ignition design using a large rugby-shaped hohlraum [Amendt et al., Phys. Plasmas 21, 112703 (2014)] for high energetics efficiency and symmetry control with the same low gas-fill density (0.6 mg/cc He-4) is developed as a potentially robust platform for demonstrating thermonuclear burn. The companion high-density carbon capsule for this hohlraum design is driven by an adiabat-shaped [Betti et al., Phys. Plasmas 9, 2277 (2002)] 4-shock drive profile for robust high gain (>10) 1-D ignition performance and large margin to 2-D perturbation growth. (C) 2015 AIP Publishing LLC. C1 [Amendt, Peter; Ho, Darwin D.; Jones, Ogden S.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Amendt, P (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. FU Lawrence Livermore National Security, LLC (LLNS) [DE-AC52-07NA2734] FX Useful input from O. L. Landen and J. Milovich is gratefully acknowledged. The suggestions of L. Berzak-Hopkins, S. Khan, S. Nagel, R. J. Rygg, and D. Turnbull are appreciated. Work performed under the auspices of Lawrence Livermore National Security, LLC (LLNS) under Contract No. DE-AC52-07NA2734. NR 27 TC 2 Z9 2 U1 3 U2 16 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD APR PY 2015 VL 22 IS 4 AR 040703 DI 10.1063/1.4918951 PG 5 WC Physics, Fluids & Plasmas SC Physics GA CH2DZ UT WOS:000353837200004 ER PT J AU Campanell, MD AF Campanell, M. D. TI Entire plasmas can be restructured when electrons are emitted from the boundaries SO PHYSICS OF PLASMAS LA English DT Article ID SECONDARY ELECTRONS; EMISSION; SHEATH; SPACE; SURFACES; TOKAMAK; MODEL; TIME AB It is well known that electron emission can restructure the thin sheaths at plasma-facing surfaces. But conventional models assume that the plasma's structure negligibly changes (the "presheath" is still thought to be governed by ion acceleration to the Bohm speed). Here, it is shown by theory and simulation that the presheath can take a fundamentally different structure where the emitted electrons entering the quasineutral region cause numerous changes. Gradients of total plasma density, ion and electron pressures, and electric potential throughout the "inverted" presheath can carry different magnitudes, and opposite signs, from Bohm presheaths. (C) 2015 AIP Publishing LLC. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Campanell, MD (reprint author), Lawrence Livermore Natl Lab, POB 808 L-630, Livermore, CA 94551 USA. EM michaelcampanell@gmail.com FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Princeton Plasma Physics Laboratory under DOE [DE-AC02-09CH11466]; Walbridge Fund in the Princeton Environmental Institute at Princeton University; U.S. Department of Energy, Office of Science, Office of Fusion Energy Sciences FX Most of this work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344. Resources were also provided by the Princeton Plasma Physics Laboratory under DOE Contract No. DE-AC02-09CH11466, as well as the Walbridge Fund in the Princeton Environmental Institute at Princeton University. This material is based upon work supported by the U.S. Department of Energy, Office of Science, Office of Fusion Energy Sciences. NR 38 TC 7 Z9 7 U1 4 U2 18 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD APR PY 2015 VL 22 IS 4 AR 040702 DI 10.1063/1.4918339 PG 5 WC Physics, Fluids & Plasmas SC Physics GA CH2DZ UT WOS:000353837200003 ER PT J AU Di Stefano, CA Kuranz, CC Seely, JF Thomas, AGR Drake, RP Keiter, PA Williams, GJ Park, J Chen, H MacDonald, MJ Rasmus, AM Wan, WC Pereira, NR Joglekar, AS McKelvey, A Zhao, Z Klein, SR Kemp, GE Jarrott, LC Krauland, CM Peebles, J Westover, B AF Di Stefano, C. A. Kuranz, C. C. Seely, J. F. Thomas, A. G. R. Drake, R. P. Keiter, P. A. Williams, G. J. Park, J. Chen, H. MacDonald, M. J. Rasmus, A. M. Wan, W. C. Pereira, N. R. Joglekar, A. S. McKelvey, A. Zhao, Z. Klein, S. R. Kemp, G. E. Jarrott, L. C. Krauland, C. M. Peebles, J. Westover, B. TI Measurements of the energy spectrum of electrons emanating from solid materials irradiated by a picosecond laser SO PHYSICS OF PLASMAS LA English DT Article ID PLASMA INTERACTIONS; ABSORPTION; LIGHT; IGNITION; PULSES AB In this work, we present the results of experiments observing the properties of the electron stream generated laterally when a laser irradiates a metal. We find that the directionality of the electrons is dependent upon their energies, with the higher-energy tail of the spectrum (similar to 1 MeV and higher) being more narrowly focused. This behavior is likely due to the coupling of the electrons to the electric field of the laser. The experiments are performed by using the Titan laser to irradiate a metal wire, creating the electron stream of interest. These electrons propagate to nearby spectator wires of differing metals, causing them to fluoresce at their characteristic K-shell energies. This fluorescence is recorded by a crystal spectrometer. By varying the distances between the wires, we are able to probe the divergence of the electron stream, while by varying the medium through which the electrons propagate (and hence the energy-dependence of electron attenuation), we are able to probe the energy spectrum of the stream. (C) 2015 AIP Publishing LLC. C1 [Di Stefano, C. A.; Kuranz, C. C.; Thomas, A. G. R.; Drake, R. P.; Keiter, P. A.; MacDonald, M. J.; Rasmus, A. M.; Wan, W. C.; Joglekar, A. S.; McKelvey, A.; Zhao, Z.; Klein, S. R.; Krauland, C. M.] Univ Michigan, Ann Arbor, MI 48109 USA. [Seely, J. F.] Artep Inc, Ellicott City, MD 21042 USA. [Williams, G. J.; Park, J.; Chen, H.; Kemp, G. E.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [MacDonald, M. J.] SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA. [Pereira, N. R.] Ecopulse Inc, Springfield, VA 22150 USA. [Jarrott, L. C.; Krauland, C. M.; Peebles, J.; Westover, B.] Univ Calif San Diego, Energy Res Ctr, La Jolla, CA 92093 USA. RP Di Stefano, CA (reprint author), Univ Michigan, Ann Arbor, MI 48109 USA. EM carlosds@umich.edu RI Drake, R Paul/I-9218-2012; OI Drake, R Paul/0000-0002-5450-9844; Thomas, Alexander/0000-0003-3206-8512; Di Stefano, Carlos/0000-0001-6166-3519; Williams, Gerald Jackson/0000-0002-6495-5696; MacDonald, Michael/0000-0002-6295-6978 FU U.S. Department of Energy through the NNSA-DS; U.S. Department of Energy through the SC-OFES Joint Program in High-Energy-Density Laboratory Plasmas [DE-NA0001840]; Defense Threat Reduction Agency [DTRA-1-10-0077]; U.S. Department of Energy by LLNL [DE-AC52-07NA27344] FX This work was funded by the U.S. Department of Energy, through the NNSA-DS and SC-OFES Joint Program in High-Energy-Density Laboratory Plasmas, Grant No. DE-NA0001840 and by the Defense Threat Reduction Agency, Grant No. DTRA-1-10-0077. The work of authors affiliated with Lawrence Livermore National Laboratory (LLNL) was performed under the auspices of the U.S. Department of Energy by LLNL under Contract No. DE-AC52-07NA27344. NR 33 TC 0 Z9 0 U1 0 U2 14 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD APR PY 2015 VL 22 IS 4 AR 043113 DI 10.1063/1.4917325 PG 5 WC Physics, Fluids & Plasmas SC Physics GA CH2DZ UT WOS:000353837200073 ER PT J AU Guymer, TM Moore, AS Morton, J Kline, JL Allan, S Bazin, N Benstead, J Bentley, C Comley, AJ Cowan, J Flippo, K Garbett, W Hamilton, C Lanier, NE Mussack, K Obrey, K Reed, L Schmidt, DW Stevenson, RM Taccetti, JM Workman, J AF Guymer, T. M. Moore, A. S. Morton, J. Kline, J. L. Allan, S. Bazin, N. Benstead, J. Bentley, C. Comley, A. J. Cowan, J. Flippo, K. Garbett, W. Hamilton, C. Lanier, N. E. Mussack, K. Obrey, K. Reed, L. Schmidt, D. W. Stevenson, R. M. Taccetti, J. M. Workman, J. TI Quantifying equation-of-state and opacity errors using integrated supersonic diffusive radiation flow experiments on the National Ignition Facility SO PHYSICS OF PLASMAS LA English DT Article ID DENSITY FOAM TARGETS; IONIZATION FRONTS; HEATED FOAM; TRANSPORT; DRIVEN; WAVE; STABILITY; SHOCK AB A well diagnosed campaign of supersonic, diffusive radiation flow experiments has been fielded on the National Ignition Facility. These experiments have used the accurate measurements of delivered laser energy and foam density to enable an investigation into SESAME's tabulated equation-of-state values and CASSANDRA's predicted opacity values for the low-density C8H7Cl foam used throughout the campaign. We report that the results from initial simulations under-predicted the arrival time of the radiation wave through the foam by approximate to 22%. A simulation study was conducted that artificially scaled the equation-of-state and opacity with the intended aim of quantifying the systematic offsets in both CASSANDRA and SESAME. Two separate hypotheses which describe these errors have been tested using the entire ensemble of data, with one being supported by these data. C1 [Guymer, T. M.; Moore, A. S.; Morton, J.; Allan, S.; Bazin, N.; Benstead, J.; Bentley, C.; Comley, A. J.; Garbett, W.; Reed, L.; Stevenson, R. M.] AWE Plc, Reading RG7 4PR, Berks, England. [Kline, J. L.; Cowan, J.; Flippo, K.; Hamilton, C.; Lanier, N. E.; Mussack, K.; Obrey, K.; Schmidt, D. W.; Taccetti, J. M.; Workman, J.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Guymer, TM (reprint author), AWE Plc, Reading RG7 4PR, Berks, England. EM Thomas.Guymer@awe.co.uk RI Flippo, Kirk/C-6872-2009; OI Flippo, Kirk/0000-0002-4752-5141; Hamilton, Christopher/0000-0002-1605-5992; Kline, John/0000-0002-2271-9919 FU UK Ministry of Defence; Los Alamos National Laboratory; Lawrence Livermore National Laboratory; U.S. Department of Energy by Los Alamos National Laboratory [DE-AC52-06NA25396]; Lawrence Livermore National Laboratory [DE-AC52-07NA273444] FX The authors would like to thank: J. Gaffney (LLNL) for patient discussions relating to statistics; O. Landen (LLNL) for discussions relating to the physics content; S. McAlpin (AWE) and A. Simons (AWE) for reviewing this work; D. Schmidt (LANL) and the target preparation staff at LANL; and the shot operations staff at the NIF (LLNL). This work was jointly supported by the UK Ministry of Defence, Los Alamos National Laboratory, and Lawrence Livermore National Laboratory. It was performed under the auspices of the U.S. Department of Energy by Los Alamos National Laboratory under Contract No. DE-AC52-06NA25396 and by Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA273444. NR 32 TC 4 Z9 4 U1 2 U2 18 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD APR PY 2015 VL 22 IS 4 AR 043303 DI 10.1063/1.4919025 PG 15 WC Physics, Fluids & Plasmas SC Physics GA CH2DZ UT WOS:000353837200084 ER PT J AU Hansen, C Marklin, G Victor, B Akcay, C Jarboe, T AF Hansen, C. Marklin, G. Victor, B. Akcay, C. Jarboe, T. TI Simulation of injector dynamics during steady inductive helicity injection current drive in the HIT-SI experiment SO PHYSICS OF PLASMAS LA English DT Article ID MIXED FINITE-ELEMENTS; REVERSED-FIELD PINCH; HIGH-BETA SPHEROMAK; MULTIGRID METHOD; MAGNETIC-FIELDS; ORDER; FLUCTUATIONS; PLASMA; MAGNETOHYDRODYNAMICS; DECOMPOSITION AB We present simulations of inductive helicity injection in the Helicity Injected Torus with Steady Inductive helicity injection (HIT-SI) device that treats the entire plasma volume in a single dynamic MHD model. A new fully 3D numerical tool, the PSI-center TETrahedral mesh code, was developed that provides the geometric flexibility required for this investigation. Implementation of a zero-b Hall MHD model using PSI-TET will be presented including formulation of a new self-consistent magnetic boundary condition for the wall of the HIT-SI device. Results from simulations of HIT-SI are presented focusing on injector dynamics that are investigated numerically for the first time. Asymmetries in the plasma loading between the two helicity injectors and progression of field reversal in each injector are observed. Analysis indicates cross-coupling between injectors through confinement volume structures. Injector impedance is found to scale with toroidal current at fixed density, consistent with experimental observation. Comparison to experimental data with an injector drive frequency of 14.5 kHz shows good agreement with magnetic diagnostics. Global mode structures from Bi-Orthogonal decomposition agree well with experimental data for the first four modes. (C) 2015 AIP Publishing LLC. C1 [Hansen, C.; Marklin, G.; Jarboe, T.] Univ Washington, PSI Ctr, Seattle, WA 98195 USA. [Hansen, C.] Columbia Univ, New York, NY 10027 USA. [Victor, B.; Jarboe, T.] Univ Washington, HIT SI Grp, Seattle, WA 98195 USA. [Akcay, C.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Hansen, C (reprint author), Univ Washington, PSI Ctr, Seattle, WA 98195 USA. EM hansec@uw.edu OI Hansen, Christopher/0000-0001-6928-5815 FU U.S. Department of Energy Office of Science [DE-AC02-05CH11231]; U.S. Dept. of Energy FX The authors would like to thank the other members of the PSI-Center for many helpful discussions during the development of PSI-TET. Simulations presented here used resources of the National Energy Research Scientific Computing Center, which was supported by the U.S. Department of Energy Office of Science under Contract No. DE-AC02-05CH11231. Work supported by U.S. Dept. of Energy. NR 70 TC 0 Z9 0 U1 2 U2 5 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD APR PY 2015 VL 22 IS 4 AR 042505 DI 10.1063/1.4917476 PG 12 WC Physics, Fluids & Plasmas SC Physics GA CH2DZ UT WOS:000353837200036 ER PT J AU Huntington, CM Park, HS Maddox, BR Barrios, MA Benedetti, R Braun, DG Hohenberger, M Landen, OL Regan, SP Wehrenberg, CE Remington, BA AF Huntington, C. M. Park, H. -S. Maddox, B. R. Barrios, M. A. Benedetti, R. Braun, D. G. Hohenberger, M. Landen, O. L. Regan, S. P. Wehrenberg, C. E. Remington, B. A. TI Developing a bright 17 keV x-ray source for probing high-energy-density states of matter at high spatial resolution SO PHYSICS OF PLASMAS LA English DT Article ID THOMSON SCATTERING; LASER; PINHOLE; PLATES AB A set of experiments were performed on the National Ignition Facility (NIF) to develop and optimize a bright, 17 keV x-ray backlighter probe using laser-irradiated Nb foils. High-resolution one-dimensional imaging was achieved using a 15 mu m wide slit in a Ta substrate to aperture the Nb He-alpha x-rays onto an open-aperture, time integrated camera. To optimize the x-ray source for imaging applications, the effect of laser pulse shape and spatial profile on the target was investigated. Two laser pulse shapes were used-a "prepulse" shape that included a 3 ns, low-intensity laser foot preceding the high-energy 2 ns square main laser drive, and a pulse without the laser foot. The laser spatial profile was varied by the use of continuous phase plates (CPPs) on a pair of shots compared to beams at best focus, without CPPs. A comprehensive set of common diagnostics allowed for a direct comparison of imaging resolution, total x-ray conversion efficiency, and x-ray spectrum between shots. The use of CPPs was seen to reduce the high-energy tail of the x-ray spectrum, whereas the laser pulse shape had little effect on the high-energy tail. The measured imaging resolution was comparably high for all combinations of laser parameters, but a higher x-ray flux was achieved without phase plates. This increased flux was the result of smaller laser spot sizes, which allowed us to arrange the laser focal spots from multiple beams and produce an x-ray source which was more localized behind the slit aperture. Our experiments are a first demonstration of point-projection geometry imaging at NIF at the energies (> 10 keV) necessary for imaging denser, higher-Z targets than have previously been investigated. (C) 2015 AIP Publishing LLC. C1 [Huntington, C. M.; Park, H. -S.; Maddox, B. R.; Barrios, M. A.; Benedetti, R.; Braun, D. G.; Landen, O. L.; Wehrenberg, C. E.; Remington, B. A.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Hohenberger, M.; Regan, S. P.] Univ Rochester, Laser Energet Lab, Rochester, NY 14623 USA. RP Huntington, CM (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. 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 No. DE-AC52-07NA27344. NR 32 TC 0 Z9 0 U1 4 U2 19 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD APR PY 2015 VL 22 IS 4 AR 043114 DI 10.1063/1.4916959 PG 8 WC Physics, Fluids & Plasmas SC Physics GA CH2DZ UT WOS:000353837200074 ER PT J AU Liu, D Fu, GY Crocker, NA Podesta, M Breslau, JA Fredrickson, ED Kubota, S AF Liu, D. Fu, G. Y. Crocker, N. A. Podesta, M. Breslau, J. A. Fredrickson, E. D. Kubota, S. TI Hybrid simulation of toroidal Alfven eigenmode on the National Spherical Torus Experiment SO PHYSICS OF PLASMAS LA English DT Article ID ENERGETIC IONS; CHAPTER 5; TOKAMAK; PHYSICS; ROTATION; SHEAR AB Energetic particle modes and Alfven eigenmodes driven by super-Alfvenic fast ions are routinely observed in neutral beam heated plasmas on the National Spherical Torus eXperiment (NSTX). These modes can significantly impact fast ion transport and thus cause fast ion redistribution or loss. Self-consistent linear simulations of Toroidal Alfven Eigenmodes (TAEs) in NSTX plasmas have been carried out with the kinetic/magnetohydrodynamic hybrid code M3D-K using experimental plasma parameters and profiles including plasma toroidal rotation. The simulations show that unstable TAEs with n = 3; 4; or 5 can be excited by the fast ions from neutral beam injection. The simulated mode frequency, mode radial structure, and phase shift are consistent with measurements from a multi-channel microwave reflectometer diagnostic. A sensitivity study on plasma toroidal rotation, safety factor q profile, and initial fast ion distribution is performed. The simulations show that rotation can have a significant destabilizing effect when the rotation is comparable or larger than the experimental level. The mode growth rate is sensitive to q profile and fast ion distribution. Although mode structure and peak position depend somewhat on q profile and plasma rotation, the variation of synthetic reflectometer response is within experimental uncertainty and it is not sensitive enough to see the difference clearly. (C) 2015 AIP Publishing LLC. C1 [Liu, D.] Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA. [Fu, G. Y.; Podesta, M.; Breslau, J. A.; Fredrickson, E. D.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Crocker, N. A.; Kubota, S.] Univ Calif Los Angeles, Dept Phys & Astron, Los Angeles, CA 90095 USA. RP Liu, D (reprint author), Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA. EM deyongl@uci.edu RI Liu, Deyong/Q-2797-2015 OI Liu, Deyong/0000-0001-9174-7078 FU U.S. Department of Energy [DE-AC02-09CH11466, DE-FG02-06ER54867, DE-FG03-02ER54681] FX One of the authors (D. Liu) would like to thank W. W. Hedibrink, J. Lang, W. Deng, and F. Wang for helpful discussions. This work was supported by the U.S. Department of Energy under DE-AC02-09CH11466, DE-FG02-06ER54867, and DE-FG03-02ER54681, and the simulations were performed using the supercomputer Hopper at NERSC. NR 34 TC 3 Z9 3 U1 3 U2 12 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD APR PY 2015 VL 22 IS 4 AR 042509 DI 10.1063/1.4917523 PG 8 WC Physics, Fluids & Plasmas SC Physics GA CH2DZ UT WOS:000353837200040 ER PT J AU Makwana, KD Zhdankin, V Li, H Daughton, W Cattaneo, F AF Makwana, K. D. Zhdankin, V. Li, H. Daughton, W. Cattaneo, F. TI Energy dynamics and current sheet structure in fluid and kinetic simulations of decaying magnetohydrodynamic turbulence SO PHYSICS OF PLASMAS LA English DT Article ID SOLAR-WIND; PLASMA TURBULENCE; DISSIPATION; SPECTRUM; SCALES; KINK; LAWS AB Simulations of decaying magnetohydrodynamic (MHD) turbulence are performed with a fluid and a kinetic code. The initial condition is an ensemble of long-wavelength, counter-propagating, shear-Alfven waves, which interact and rapidly generate strong MHD turbulence. The total energy is conserved and the rate of turbulent energy decay is very similar in both codes, although the fluid code has numerical dissipation, whereas the kinetic code has kinetic dissipation. The inertial range power spectrum index is similar in both the codes. The fluid code shows a perpendicular wavenumber spectral slope of k(perpendicular to)(-1.3) The kinetic code shows a spectral slope of k(perpendicular to)(-1.5) for smaller simulation domain, and k(perpendicular to)(-1.3) for larger domain. We estimate that collisionless damping mechanisms in the kinetic code can account for the dissipation of the observed nonlinear energy cascade. Current sheets are geometrically characterized. Their lengths and widths are in good agreement between the two codes. The length scales linearly with the driving scale of the turbulence. In the fluid code, their thickness is determined by the grid resolution as there is no explicit diffusivity. In the kinetic code, their thickness is very close to the skin-depth, irrespective of the grid resolution. This work shows that kinetic codes can reproduce the MHD inertial range dynamics at large scales, while at the same time capturing important kinetic physics at small scales. (C) 2015 AIP Publishing LLC. C1 [Makwana, K. D.; Cattaneo, F.] Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. [Zhdankin, V.] Univ Wisconsin, Dept Phys, Madison, WI 53706 USA. [Li, H.; Daughton, W.] Los Alamos Natl Lab, Los Alamos, NM 87544 USA. RP Makwana, KD (reprint author), Univ Chicago, Dept Astron & Astrophys, 5640 S Ellis Ave, Chicago, IL 60637 USA. EM kirit.makwana@gmx.com RI Daughton, William/L-9661-2013; OI Makwana, Kirit/0000-0003-4430-931X FU National Science Foundation; LANL/LDRD program; DOE/Office of Fusion Energy Science through CMSO FX This work was supported in part by the National Science Foundation sponsored Center for Magnetic Self Organization (CMSO) at the University of Chicago. H.L. gratefully acknowledges the support by the LANL/LDRD program and the DOE/Office of Fusion Energy Science through CMSO. The simulations were performed on the Bluewaters supercomputer at the National Center for Supercomputer Applications at the University of Illinois at Urbana-Champaign. NR 36 TC 9 Z9 10 U1 0 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD APR PY 2015 VL 22 IS 4 AR 042902 DI 10.1063/1.4916492 PG 12 WC Physics, Fluids & Plasmas SC Physics GA CH2DZ UT WOS:000353837200060 ER PT J AU Ono, M Kaita, R AF Ono, Masayuki Kaita, Robert TI Recent progress on spherical torus research SO PHYSICS OF PLASMAS LA English DT Article ID LOW-ASPECT-RATIO; COAXIAL HELICITY INJECTION; RESISTIVE WALL MODE; LIQUID LITHIUM DIVERTOR; HARMONIC FAST WAVES; HIGH-BETA PLASMAS; TIME EQUILIBRIUM RECONSTRUCTION; ELECTRON BERNSTEIN WAVES; GAS FUELING LOCATION; FUSION POWER-PLANT AB The spherical torus or spherical tokamak (ST) is a member of the tokamak family with its aspect ratio (A = R-0/a) reduced to A similar to 1.5, well below the normal tokamak operating range of A >= 2.5. As the aspect ratio is reduced, the ideal tokamak beta beta (radio of plasma to magnetic pressure) stability limit increases rapidly, approximately as beta similar to 1/A. The plasma current it can sustain for a given edge safety factor q-95 also increases rapidly. Because of the above, as well as the natural elongation kappa, which makes its plasma shape appear spherical, the ST configuration can yield exceptionally high tokamak performance in a compact geometry. Due to its compactness and high performance, the ST configuration has various near term applications, including a compact fusion neutron source with low tritium consumption, in addition to its longer term goal of an attractive fusion energy power source. Since the start of the two mega-ampere class ST facilities in 2000, the National Spherical Torus Experiment in the United States and Mega Ampere Spherical Tokamak in UK, active ST research has been conducted worldwide. More than 16 ST research facilities operating during this period have achieved remarkable advances in all fusion science areas, involving fundamental fusion energy science as well as innovation. These results suggest exciting future prospects for ST research both near term and longer term. The present paper reviews the scientific progress made by the worldwide ST research community during this new mega-ampere-ST era. (C) 2015 AIP Publishing LLC. C1 [Ono, Masayuki; Kaita, Robert] Princeton Univ, Plasma Phys Lab, Princeton, NJ 08543 USA. RP Ono, M (reprint author), Princeton Univ, Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. FU DoE [DE-AC02-09CH11466] FX This work was supported by DoE Contract No. DE-AC02-09CH11466. Valuable comments on the manuscript by Dr. B. Lloyd, Dr. S. Kaye, and Dr. J. Menard are greatly appreciated. Helpful comments on the topical sections by Dr. G. D. Gates, Dr. D. E. Fredrickson, Dr. S. Gerhardt, Dr. N. Gorelenkov, Dr. W. Guttenfelder, Dr. R. Maingi, Dr. R. Raman, Dr. Y. Ren, Dr. V. Soukhanovoskii, and Dr. G. Taylor are also very much appreciated. NR 377 TC 4 Z9 4 U1 1 U2 20 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD APR PY 2015 VL 22 IS 4 AR 040501 DI 10.1063/1.4915073 PG 74 WC Physics, Fluids & Plasmas SC Physics GA CH2DZ UT WOS:000353837200001 ER PT J AU Perkins, RJ Hosea, JC Jaworski, MA Ahn, JW Diallo, A Bell, RE Bertelli, N Gerhardt, S Gray, TK Kramer, GJ LeBlanc, BP McLean, A Phillips, CK Podesta, M Roquemore, L Sabbagh, S Taylor, G Wilson, JR AF Perkins, R. J. Hosea, J. C. Jaworski, M. A. Ahn, J. -W. Diallo, A. Bell, R. E. Bertelli, N. Gerhardt, S. Gray, T. K. Kramer, G. J. LeBlanc, B. P. McLean, A. Phillips, C. K. Podesta, M. Roquemore, L. Sabbagh, S. Taylor, G. Wilson, J. R. TI The contribution of radio-frequency rectification to field-aligned losses of high-harmonic fast wave power to the divertor in the National Spherical Torus eXperiment SO PHYSICS OF PLASMAS LA English DT Article ID NSTX; TOKAMAK; PLASMAS; PROBE; ITER AB The National Spherical Torus eXperiment (NSTX) can exhibit a major loss of high-harmonic fast wave (HHFW) power along scrape-off layer (SOL) field lines passing in front of the antenna, resulting in bright and hot spirals on both the upper and lower divertor regions. One possible mechanism for this loss is RF sheaths forming at the divertors. Here, we demonstrate that swept-voltage Langmuir probe characteristics for probes under the spiral are shifted relative to those not under the spiral in a manner consistent with RF rectification. We estimate both the magnitude of the RF voltage across the sheath and the sheath heat flux transmission coefficient in the presence of the RF field. Although precise comparison between the computed heat flux and infrared (IR) thermography cannot yet be made, the computed heat deposition compares favorably with the projections from IR camera measurements. The RF sheath losses are significant and contribute substantially to the total SOL losses of HHFW power to the divertor for the cases studied. This work will guide future experimentation on NSTX-U, where a wide-angle IR camera and a dedicated set of coaxial Langmuir probes for measuring the RF sheath voltage directly will quantify the contribution of RF sheath rectification to the heat deposition from the SOL to the divertor. (C) 2015 AIP Publishing LLC. C1 [Perkins, R. J.; Hosea, J. C.; Jaworski, M. A.; Diallo, A.; Bell, R. E.; Bertelli, N.; Gerhardt, S.; Kramer, G. J.; LeBlanc, B. P.; Phillips, C. K.; Podesta, M.; Roquemore, L.; Taylor, G.; Wilson, J. R.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Ahn, J. -W.; Gray, T. K.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [McLean, A.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Sabbagh, S.] Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA. RP Perkins, RJ (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. EM rperkins@pppl.gov FU USDOE [DE-AC02-09CH11466] FX The authors wish to acknowledge the support of Dr. Masayuki Ono and Dr. Jonathan Menard, the NSTX team and the machine, RF, and neutral beam operations groups. This work is supported by USDOE Contract No. DE-AC02-09CH11466. NR 40 TC 1 Z9 1 U1 2 U2 14 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD APR PY 2015 VL 22 IS 4 AR 042506 DI 10.1063/1.4916034 PG 10 WC Physics, Fluids & Plasmas SC Physics GA CH2DZ UT WOS:000353837200037 ER PT J AU Rafiq, T Kritz, AH Kessel, CE Pankin, AY AF Rafiq, T. Kritz, A. H. Kessel, C. E. Pankin, A. Y. TI Fusion power production in International Thermonuclear Experimental Reactor baseline H-mode scenarios SO PHYSICS OF PLASMAS LA English DT Article ID TOKAMAK PLASMAS; DIII-D; TRANSPORT; ITER; SIMULATIONS; HYBRID; MODULE; TEMPERATURE; LIBRARY; EDGE AB Self-consistent simulations of 15 MA ITER H-mode DT scenarios, from ramp-up through flat-top, are carried out. Electron and ion temperatures, toroidal angular frequency, and currents are evolved, in simulations carried out using the predictive TRANSPort and integrated modeling code starting with initial profiles and equilibria obtained from tokamak simulation code studies. Studies are carried out examining the dependence and sensitivity of fusion power production on electron density, argon impurity concentration, choice of radio frequency heating, pedestal temperature without and with E x B flow shear effects included, and the degree of plasma rotation. The goal of these whole-device ITER simulations is to identify dependencies that might impact ITER fusion performance. (C) 2015 AIP Publishing LLC. C1 [Rafiq, T.; Kritz, A. H.] Lehigh Univ, Dept Phys, Bethlehem, PA 18015 USA. [Kessel, C. E.] Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08540 USA. [Pankin, A. Y.] Tech X Corp, Boulder, CO 80303 USA. RP Rafiq, T (reprint author), Lehigh Univ, Dept Phys, Bldg 16, Bethlehem, PA 18015 USA. FU U.S. Department of Energy, Office of Science [DE-FG02-92-ER54141] FX The authors would like to thank Philip Snyder for providing the EPED1 prediction of ITER H-mode pedestal pressure. The research carried out, yielding the results presented in this paper, is supported by the U.S. Department of Energy, Office of Science, under Award Number DE-FG02-92-ER54141. NR 36 TC 1 Z9 1 U1 2 U2 10 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD APR PY 2015 VL 22 IS 4 AR 042511 DI 10.1063/1.4917522 PG 10 WC Physics, Fluids & Plasmas SC Physics GA CH2DZ UT WOS:000353837200042 ER PT J AU Rosenberg, MJ Li, CK Fox, W Igumenshchev, I Seguin, FH Town, RPJ Frenje, JA Stoeckl, C Glebov, V Petrasso, RD AF Rosenberg, M. J. Li, C. K. Fox, W. Igumenshchev, I. Seguin, F. H. Town, R. P. J. Frenje, J. A. Stoeckl, C. Glebov, V. Petrasso, R. D. TI First experiments probing the collision of parallel magnetic fields using laser-produced plasmas SO PHYSICS OF PLASMAS LA English DT Article ID RECONNECTION; OMEGA AB Novel experiments to study the strongly-driven collision of parallel magnetic fields in beta similar to 10, laser-produced plasmas have been conducted using monoenergetic proton radiography. These experiments were designed to probe the process of magnetic flux pileup, which has been identified in prior laser-plasma experiments as a key physical mechanism in the reconnection of anti-parallel magnetic fields when the reconnection inflow is dominated by strong plasma flows. In the present experiments using colliding plasmas carrying parallel magnetic fields, the magnetic flux is found to be conserved and slightly compressed in the collision region. Two-dimensional (2D) particle-in-cell simulations predict a stronger flux compression and amplification of the magnetic field strength, and this discrepancy is attributed to the three-dimensional (3D) collision geometry. Future experiments may drive a stronger collision and further explore flux pileup in the context of the strongly-driven interaction of magnetic fields. (C) 2015 AIP Publishing LLC. C1 [Rosenberg, M. J.; Li, C. K.; Seguin, F. H.; Frenje, J. A.; Petrasso, R. D.] MIT, Plasma Sci & Fus Ctr, Cambridge, MA 02139 USA. [Fox, W.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Rosenberg, M. J.; Igumenshchev, I.; Stoeckl, C.; Glebov, V.] Univ Rochester, Laser Energet Lab, Rochester, NY 14623 USA. [Town, R. P. J.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Rosenberg, MJ (reprint author), Univ Rochester, Laser Energet Lab, 250 E River Rd, Rochester, NY 14623 USA. EM mros@lle.rochester.edu OI Fox, William/0000-0001-6289-858X FU U.S. DoE [DE-NA0001857]; LLE [415935-G]; NLUF [DE-NA0002035]; FSC [5-24431] FX The authors thank the OMEGA operations and target fabrication crews for their assistance in carrying out these experiments and R. Frankel and E. Doeg for their help in processing of CR-39 data used in this work. This work was performed in partial fulfillment of the first author's PhD thesis and supported in part by U.S. DoE (Grant No. DE-NA0001857), LLE (No. 415935-G), NLUF (No. DE-NA0002035), and FSC (No. 5-24431). NR 25 TC 1 Z9 1 U1 5 U2 24 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD APR PY 2015 VL 22 IS 4 AR 042703 DI 10.1063/1.4917248 PG 6 WC Physics, Fluids & Plasmas SC Physics GA CH2DZ UT WOS:000353837200052 ER PT J AU Schollmeier, M Sefkow, AB Geissel, M Arefiev, AV Flippo, KA Gaillard, SA Johnson, RP Kimmel, MW Offermann, DT Rambo, PK Schwarz, J Shimada, T AF Schollmeier, M. Sefkow, A. B. Geissel, M. Arefiev, A. V. Flippo, K. A. Gaillard, S. A. Johnson, R. P. Kimmel, M. W. Offermann, D. T. Rambo, P. K. Schwarz, J. Shimada, T. TI Laser-to-hot-electron conversion limitations in relativistic laser matter interactions due to multi-picosecond dynamics SO PHYSICS OF PLASMAS LA English DT Article ID PLASMA INTERACTIONS; ION-ACCELERATION; GENERATION; DRIVEN AB High-energy short-pulse lasers are pushing the limits of plasma-based particle acceleration, x-ray generation, and high-harmonic generation by creating strong electromagnetic fields at the laser focus where electrons are being accelerated to relativistic velocities. Understanding the relativistic electron dynamics is key for an accurate interpretation of measurements. We present a unified and self-consistent modeling approach in quantitative agreement with measurements and differing trends across multiple target types acquired from two separate laser systems, which differ only in their nanosecond to picosecond-scale rising edge. Insights from high-fidelity modeling of laser-plasma interaction demonstrate that the ps-scale, orders of magnitude weaker rising edge of the main pulse measurably alters target evolution and relativistic electron generation compared to idealized pulse shapes. This can lead for instance to the experimentally observed difference between 45 MeV and 75 MeV maximum energy protons for two nominally identical laser shots, due to ps-scale prepulse variations. Our results show that the realistic inclusion of temporal laser pulse profiles in modeling efforts is required if predictive capability and extrapolation are sought for future target and laser designs or for other relativistic laser ion acceleration schemes. (C) 2015 AIP Publishing LLC. C1 [Schollmeier, M.; Sefkow, A. B.; Geissel, M.; Kimmel, M. W.; Rambo, P. K.; Schwarz, J.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Arefiev, A. V.] Univ Texas Austin, Inst Fus Studies, Austin, TX 78712 USA. [Flippo, K. A.; Johnson, R. P.; Shimada, T.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Gaillard, S. A.] Helmholtz Zentrum Dresden Rossendorf, D-01328 Dresden, Germany. [Offermann, D. T.] Voss Sci, Albuquerque, NM 87108 USA. RP Schollmeier, M (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. RI Flippo, Kirk/C-6872-2009; Arefiev, Alexey/A-8550-2016; OI Flippo, Kirk/0000-0002-4752-5141; Arefiev, Alexey/0000-0002-0597-0976; Geissel, Matthias/0000-0002-6207-7615; Offermann, Dustin/0000-0002-6033-4905 FU Laboratory Directed Research and Development Program at Sandia; Laboratory Directed Research and Development Program at Los Alamos; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; U.S. DOE/NNSA [DE-AC52-06NA25396] FX A.B.S. acknowledges S. E. Corwell, K. M. Lord, the TLCC and TLCC2 teams at Sandia, and J. M. Koning, M. M. Marinak, and D. R. Welch for simulation support. The authors acknowledge the support of B. W. Atherton, M. C. Herrmann, and J. L. Porter at Sandia National Laboratories, B. N. Breizman at UT Austin and S. M. Reid, T. Hurry, F. Archuleta, and R. Gonzales at Los Alamos National Laboratory. Support provided by the Laboratory Directed Research and Development Programs at Sandia and Los Alamos. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under Contract No. DE-AC04-94AL85000. This work was supported by U.S. DOE/NNSA, performed at LANL, operated by LANS LLC under Contract No. DE-AC52-06NA25396. NR 62 TC 12 Z9 12 U1 3 U2 32 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD APR PY 2015 VL 22 IS 4 AR 043116 DI 10.1063/1.4918332 PG 13 WC Physics, Fluids & Plasmas SC Physics GA CH2DZ UT WOS:000353837200076 ER PT J AU Shen, W Fu, GY Tobias, B Van Zeeland, M Wang, F Sheng, ZM AF Shen, Wei Fu, G. Y. Tobias, Benjamin Van Zeeland, Michael Wang, Feng Sheng, Zheng-Mao TI Nonlinear hybrid simulation of internal kink with beam ion effects in DIII-D SO PHYSICS OF PLASMAS LA English DT Article ID ELONGATED TCV PLASMAS; SAWTOOTH OSCILLATIONS; DENSITY PERTURBATIONS; PELLET INJECTION; ALFVEN EIGENMODE; GYROFLUID MODEL; INSTABILITY; TOKAMAKS; EQUILIBRIA; TRANSPORT AB In DIII-D sawteething plasmas, long-lived (1,1) kink modes are often observed between sawtooth crashes. The saturated kink modes have two distinct frequencies. The mode with higher frequency transits to a fishbone-like mode with sufficient on-axis neutral beam power. In this work, hybrid simulations with the global kinetic-magnetohydrodynamic (MHD) hybrid code M3D-K have been carried out to investigate the linear stability and nonlinear dynamics of the n = 1 mode with effects of energetic beam ions for a typical DIII-D discharge where both saturated kink mode and fishbone were observed. Linear simulation results show that the n = 1 internal kink mode is unstable in MHD limit. However, with kinetic effects of beam ions, a fishbone-like mode is excited with mode frequency about a few kHz depending on beam pressure profile. The mode frequency is higher at higher beam power and/or narrower radial profile consistent with the experimental observation. Nonlinear simulations have been performed to investigate mode saturation as well as energetic particle transport. The nonlinear MHD simulations show that the unstable kink mode becomes a saturated kink mode after a sawtooth crash. With beam ion effects, the fishbone-like mode can also transit to a saturated kink mode with a small but finite mode frequency. These results are consistent with the experimental observation of saturated kink mode between sawtooth crashes. (C) 2015 AIP Publishing LLC. C1 [Shen, Wei; Sheng, Zheng-Mao] Zhejiang Univ, Dept Phys, Inst Fus Theory & Simulat, Hangzhou 310027, Peoples R China. [Fu, G. Y.; Tobias, Benjamin] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Van Zeeland, Michael] Gen Atom Co, San Diego, CA 92186 USA. [Wang, Feng] Dalian Univ Technol, Sch Phys & Optoelect Engn, Dalian 116024, Peoples R China. RP Shen, W (reprint author), Zhejiang Univ, Dept Phys, Inst Fus Theory & Simulat, Hangzhou 310027, Peoples R China. FU ITER-CN [2013GB104004]; NSF of China [11235009]; Fundamental Research Fund for Chinese Central Universities; U.S. Department of Energy, Office of Science, Office of Fusion Energy Sciences; DOE Office of Science [DE-FC02-04ER54698, DE-AC02-09CH11466, DE-AC02-76CH03073] FX Wei Shen gratefully thanks Professor Liu Chen for valuable comments. This work was supported by the ITER-CN under Grant No. 2013GB104004, the NSF of China under Grants No. 11235009, and Fundamental Research Fund for Chinese Central Universities. This material is based upon work supported in part by the U.S. Department of Energy, Office of Science, Office of Fusion Energy Sciences, using the DIII-D National Fusion Facility, a DOE Office of Science user facility, under Awards Nos. DE-FC02-04ER54698, DE-AC02-09CH11466, and DE-AC02-76CH03073. The simulations were carried out using the supercomputer Edison at NERSC. NR 44 TC 4 Z9 4 U1 2 U2 12 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD APR PY 2015 VL 22 IS 4 AR 042510 DI 10.1063/1.4917341 PG 10 WC Physics, Fluids & Plasmas SC Physics GA CH2DZ UT WOS:000353837200041 ER PT J AU Tokluoglu, E Kaganovich, ID AF Tokluoglu, Erinc Kaganovich, Igor D. TI Defocusing of an ion beam propagating in background plasma due to two-stream instability SO PHYSICS OF PLASMAS LA English DT Article ID RELATIVISTIC ELECTRON-BEAM; CURRENT NEUTRALIZATION; RETURN CURRENT AB The current and charge neutralization of charged particle beams by background plasma enable ballistic beam propagation and have a wide range of applications in inertial fusion and high energy density physics. However, the beam-plasma interaction can result in the development of collective instabilities that may have deleterious effects on ballistic propagation of an ion beam. In the case of fast, light-ion beams, non-linear fields created by instabilities can lead to significant defocusing of the beam. We study an ion beam pulse propagating in a background plasma, which is subjected to two-stream instability between the beam ions and plasma electrons, using PIC code LSP. The defocusing effects of the instability on the beam can be much more pronounced in small radius beams. We show through simulations that a beamlet produced from an ion beam passed through an aperture can be used as a diagnostic tool to identify the presence of the two-stream instability and quantify its defocusing effects. The effect can be observed on the Neutralized Drift Compression Experiment-II facility by measuring the spot size of the extracted beamlet propagating through several meters of plasma. (C) 2015 AIP Publishing LLC. C1 [Tokluoglu, Erinc; Kaganovich, Igor D.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Tokluoglu, E (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. FU U.S. Department of Energy FX We would like to thank Edward A. Startsev, Elliot Feibush, Ron D. Davidson, Richard J. Briggs, and Peter Seidl for fruitful discussions and contributions. This work was supported by the U.S. Department of Energy. NR 41 TC 4 Z9 4 U1 2 U2 5 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD APR PY 2015 VL 22 IS 4 AR 040701 DI 10.1063/1.4917245 PG 5 WC Physics, Fluids & Plasmas SC Physics GA CH2DZ UT WOS:000353837200002 ER PT J AU Weber, TE Intrator, TP Smith, RJ AF Weber, T. E. Intrator, T. P. Smith, R. J. TI Plasma-gun-assisted field-reversed configuration formation in a conical theta-pinch SO PHYSICS OF PLASMAS LA English DT Article ID PARTICLE LIFETIME MEASUREMENTS; MAGNETIZED TARGET FUSION; FLUX; GENERATION; FRC AB Injection of plasma via an annular array of coaxial plasma guns during the pre-ionization phase of field-reversed configuration (FRC) formation is shown to catalyze the bulk ionization of a neutral gas prefill in the presence of a strong axial magnetic field and change the character of outward flux flow during field-reversal from a convective process to a much slower resistive diffusion process. This approach has been found to significantly improve FRC formation in a conical theta-pinch, resulting in a similar to 350% increase in trapped flux at typical operating conditions, an expansion of accessible formation parameter space to lower densities and higher temperatures, and a reduction or elimination of several deleterious effects associated with the pre-ionization phase. (C) 2015 AIP Publishing LLC. C1 [Weber, T. E.; Intrator, T. P.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Smith, R. J.] Univ Washington, Dept Aeronaut & Astronaut, Seattle, WA 98195 USA. RP Weber, TE (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM tweber@lanl.gov FU U.S. Department of Energy, Office of Science, Office of Fusion Energy Sciences [DE-AC52-06NA25369] FX T.W. wishes to acknowledge the generosity and kindness of Dr. Tom Intrator, a friend and mentor who passed away on June 3, 2014, and to thank S. C. Hsu for assuming his role as advisor. This material is based upon work supported by the U.S. Department of Energy, Office of Science, Office of Fusion Energy Sciences under Contract No. DE-AC52-06NA25369. NR 49 TC 0 Z9 0 U1 2 U2 5 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD APR PY 2015 VL 22 IS 4 AR 042518 DI 10.1063/1.4919262 PG 10 WC Physics, Fluids & Plasmas SC Physics GA CH2DZ UT WOS:000353837200049 ER PT J AU Zhang, RL Liu, J Qin, H Wang, YL He, Y Sun, YJ AF Zhang, Ruili Liu, Jian Qin, Hong Wang, Yulei He, Yang Sun, Yajuan TI Volume-preserving algorithm for secular relativistic dynamics of charged particles SO PHYSICS OF PLASMAS LA English DT Article ID RUNAWAY ELECTRONS; SYSTEMS AB Secular dynamics of relativistic charged particles has theoretical significance and a wide range of applications. However, conventional algorithms are not applicable to this problem due to the coherent accumulation of numerical errors. To overcome this difficulty, we develop a volume-preserving algorithm (VPA) with long-term accuracy and conservativeness via a systematic splitting method. Applied to the simulation of runaway electrons with a time-span over 10 magnitudes, the VPA generates accurate results and enables the discovery of new physics for secular runaway dynamics. (C) 2015 AIP Publishing LLC. C1 [Zhang, Ruili; Liu, Jian; Qin, Hong; Wang, Yulei; He, Yang] Univ Sci & Technol China, Dept Modern Phys, Hefei 230026, Anhui, Peoples R China. [Zhang, Ruili; Liu, Jian; Qin, Hong; Wang, Yulei; He, Yang] Univ Sci & Technol China, Sch Nucl Sci & Technol, Hefei 230026, Anhui, Peoples R China. [Zhang, Ruili; Liu, Jian; Wang, Yulei; He, Yang] Chinese Acad Sci, Key Lab Geospace Environm, Hefei 230026, Anhui, Peoples R China. [Qin, Hong] Princeton Univ, Plasma Phys Lab, Princeton, NJ 08543 USA. [Sun, Yajuan] Chinese Acad Sci, Acad Math & Syst Sci, LSEC, Beijing 100190, Peoples R China. RP Qin, H (reprint author), Univ Sci & Technol China, Dept Modern Phys, Hefei 230026, Anhui, Peoples R China. EM hongqin@ustc.edu.cn OI Liu, Jian/0000-0001-7484-401X; Wang, Yulei/0000-0001-9863-5917 FU National Natural Science Foundation of China [NSFC-11305171]; ITER-China Program [2015GB111003, 2014GB124005, 2013GB111000]; JSPS-NRF-NSFC [NSFC-11261140328]; Fundamental Research Funds for the Central Universities [WK2030040068]; CAS FX This research is supported by the National Natural Science Foundation of China (NSFC-11305171), ITER-China Program (2015GB111003, 2014GB124005, 2013GB111000), JSPS-NRF-NSFC A3 Foresight Program in the field of Plasma Physics (NSFC-11261140328), the Fundamental Research Funds for the Central Universities (No. WK2030040068), and the CAS Program for Interdisciplinary Collaboration Team. NR 26 TC 16 Z9 16 U1 0 U2 14 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD APR PY 2015 VL 22 IS 4 AR 044501 DI 10.1063/1.4916570 PG 5 WC Physics, Fluids & Plasmas SC Physics GA CH2DZ UT WOS:000353837200111 ER PT J AU Zhu, YM Durr, H AF Zhu, Yimei Duerr, Hermann TI The future of electron microscopy SO PHYSICS TODAY LA English DT Article C1 [Zhu, Yimei] Brookhaven Natl Lab, Dept Condensed Matter Phys, Upton, NY 11973 USA. [Zhu, Yimei] Columbia Univ, New York, NY 10027 USA. [Zhu, Yimei] SUNY Stony Brook, Stony Brook, NY 11794 USA. [Duerr, Hermann] SLAC, Stanford Inst Mat & Energy Sci, Menlo Pk, CA USA. [Duerr, Hermann] Univ Amsterdam, Amsterdam, Netherlands. RP Zhu, YM (reprint author), Brookhaven Natl Lab, Dept Condensed Matter Phys, Upton, NY 11973 USA. RI Durr, Hermann/F-6205-2012 NR 8 TC 11 Z9 11 U1 2 U2 24 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0031-9228 EI 1945-0699 J9 PHYS TODAY JI Phys. Today PD APR PY 2015 VL 68 IS 4 BP 32 EP 38 DI 10.1063/PT.3.2747 PG 7 WC Physics, Multidisciplinary SC Physics GA CH2ZS UT WOS:000353895500014 ER PT J AU Denisov, D Vellidis, C AF Denisov, Dmitri Vellidis, Costas TI The TOP QUARK, 20 years after its discovery SO PHYSICS TODAY LA English DT Article ID COLLISIONS; COLLIDER; DETECTOR; MODEL C1 [Denisov, Dmitri; Vellidis, Costas] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Denisov, D (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. NR 12 TC 0 Z9 0 U1 1 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0031-9228 EI 1945-0699 J9 PHYS TODAY JI Phys. Today PD APR PY 2015 VL 68 IS 4 BP 46 EP 52 DI 10.1063/PT.3.2749 PG 7 WC Physics, Multidisciplinary SC Physics GA CH2ZS UT WOS:000353895500016 ER PT J AU Pardo, RC Schiffer, J Nolen, J AF Pardo, Richard C. Schiffer, John Nolen, Jerry TI Lowell M. Bollinger obituaries SO PHYSICS TODAY LA English DT Biographical-Item C1 [Pardo, Richard C.; Schiffer, John; Nolen, Jerry] Argonne Natl Lab, Lemont, IL 60439 USA. RP Pardo, RC (reprint author), Argonne Natl Lab, Lemont, IL 60439 USA. OI Pardo, Richard/0000-0002-8264-9430 NR 0 TC 0 Z9 0 U1 1 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0031-9228 EI 1945-0699 J9 PHYS TODAY JI Phys. Today PD APR PY 2015 VL 68 IS 4 BP 63 EP 63 DI 10.1063/PT.3.2756 PG 1 WC Physics, Multidisciplinary SC Physics GA CH2ZS UT WOS:000353895500017 ER PT J AU Nakazawa, Y Mauldin, MR Emerson, GL Reynolds, MG Lash, RR Gao, JX Zhao, H Li, Y Muyembe, JJ Kingebeni, PM Wemakoy, O Malekani, J Karem, KL Damon, IK Carroll, DS AF Nakazawa, Yoshinori Mauldin, Matthew R. Emerson, Ginny L. Reynolds, Mary G. Lash, R. Ryan Gao, Jinxin Zhao, Hui Li, Yu Muyembe, Jean-Jacques Kingebeni, Placide Mbala Wemakoy, Okito Malekani, Jean Karem, Kevin L. Damon, Inger K. Carroll, Darin S. TI A Phylogeographic Investigation of African Monkeypox SO VIRUSES-BASEL LA English DT Article ID CLIMATE-CHANGE; GEOGRAPHIC-DISTRIBUTION; SPECIES DISTRIBUTIONS; PLEISTOCENE REFUGIA; UNITED-STATES; NORTH-AMERICA; DAHOMEY GAP; RAIN-FOREST; CONGO; VIRUS AB Monkeypox is a zoonotic disease caused by a virus member of the genus Orthopoxvirus and is endemic to Central and Western African countries. Previous work has identified two geographically disjuct clades of monkeypox virus based on the analysis of a few genomes coupled with epidemiological and clinical analyses; however, environmental and geographic causes of this differentiation have not been explored. Here, we expand previous phylogenetic studies by analyzing a larger set of monkeypox virus genomes originating throughout Sub-Saharan Africa to identify possible biogeographic barriers associated with genetic differentiation; and projected ecological niche models onto environmental conditions at three periods in the past to explore the potential role of climate oscillations in the evolution of the two primary clades. Analyses supported the separation of the Congo Basin and West Africa clades; the Congo Basin clade shows much shorter branches, which likely indicate a more recent diversification of isolates within this clade. The area between the Sanaga and Cross Rivers divides the two clades and the Dahomey Gap seems to have also served as a barrier within the West African clade. Contraction of areas with suitable environments for monkeypox virus during the Last Glacial Maximum, suggests that the Congo Basin clade of monkeypox virus experienced a severe bottleneck and has since expanded its geographic range. C1 [Nakazawa, Yoshinori; Mauldin, Matthew R.; Emerson, Ginny L.; Reynolds, Mary G.; Lash, R. Ryan; Gao, Jinxin; Zhao, Hui; Li, Yu; Karem, Kevin L.; Damon, Inger K.; Carroll, Darin S.] Ctr Dis Control & Prevent, Poxvirus & Rabies Branch, Atlanta, GA 30333 USA. [Mauldin, Matthew R.] Oak Ridge Inst Sci & Educ ORISE, CDC Fellowship Program, Oak Ridge, TN 37831 USA. [Muyembe, Jean-Jacques; Kingebeni, Placide Mbala] INRB Lab, Lemba, DEM REP CONGO. [Wemakoy, Okito] Univ Kinshasa, Kinshasa Sch Publ Hlth, Kinshasa 11850, DEM REP CONGO. [Malekani, Jean] Univ Kinshasa, Dept Biol, Lemba, DEM REP CONGO. RP Nakazawa, Y (reprint author), Ctr Dis Control & Prevent, Poxvirus & Rabies Branch, 1600 Clifton Rd NE, Atlanta, GA 30333 USA. EM ynakazawa@cdc.gov; mmauldin@cdc.gov; gemerson@cdc.gov; mreynolds3@cdc.gov; rlash@cdc.gov; jgao2@cdc.gov; hzhao1@cdc.gov; yuli@cdc.gov; muyembejj@gmail.com; mbalaplacide@gmail.com; okitow@yahoo.fr; jean.malekani@unikin.ac.cd; kkarem@cdc.gov; idamon@cdc.gov; dcarroll@cdc.gov FU CDC FX The authors thank the Emory University Core facility for assistance with genomic sequencing and Chris Upton and Nick Tang in the Department of Biochemistry and Microbiology at the University of Victoria for their assistance with annotation and submission of genomes. Isolation of MPXV from recent DRC cases was the result of research and surveillance efforts led by the Kinshasa School of Public Health, the Institut National de Recherche Biomedicale (INRB), and the Department of Biology at the University of Kinshasa in DRC. Annotation was performed with tools at the Viral Bioinformatics Resource Center (www.virology.ca). This research was supported in part by the appointment of MRM to the Research Participation Program at the CDC, administered by the Oak Ridge Institute for Science and Education (ORISE) through an interagency agreement between the US Department of Energy and the CDC. NR 75 TC 0 Z9 0 U1 2 U2 10 PU MDPI AG PI BASEL PA POSTFACH, CH-4005 BASEL, SWITZERLAND SN 1999-4915 J9 VIRUSES-BASEL JI Viruses-Basel PD APR PY 2015 VL 7 IS 4 BP 2168 EP 2184 DI 10.3390/v7042168 PG 17 WC Virology SC Virology GA CH0OH UT WOS:000353720400031 PM 25912718 ER PT J AU Mniszewski, SM Junghans, C Voter, AF Perez, D Eidenbenz, SJ AF Mniszewski, Susan M. Junghans, Christoph Voter, Arthur F. Perez, Danny Eidenbenz, Stephan J. TI TADSim: Discrete Event-Based Performance Prediction for Temperature-Accelerated Dynamics SO ACM TRANSACTIONS ON MODELING AND COMPUTER SIMULATION LA English DT Article DE Accelerated molecular dynamics; temperature-accelerated dynamics ID MOLECULAR-DYNAMICS; TIME-SCALE; SIMULATION; SYSTEMS AB Next-generation high-performance computing will require more scalable and flexible performance prediction tools to evaluate software-hardware co-design choices relevant to scientific applications and hardware architectures. We present a new class of tools called application simulators-parameterized fast-running proxies of large-scale scientific applications using parallel discrete event simulation. Parameterized choices for the algorithmic method and hardware options provide a rich space for design exploration and allow us to quickly find well-performing software-hardware combinations. We demonstrate our approach with a TADSim simulator that models the temperature-accelerated dynamics (TAD) method, an algorithmically complex and parameter-rich member of the accelerated molecular dynamics (AMD) family of molecular dynamics methods. The essence of the TAD application is captured without the computational expense and resource usage of the full code. We accomplish this by identifying the time-intensive elements, quantifying algorithm steps in terms of those elements, abstracting them out, and replacing them by the passage of time. We use TADSim to quickly characterize the runtime performance and algorithmic behavior for the otherwise long-running simulation code. We extend TADSim to model algorithm extensions, such as speculative spawning of the compute-bound stages, and predict performance improvements without having to implement such a method. Validation against the actual TAD code shows close agreement for the evolution of an example physical system, a silver surface. Focused parameter scans have allowed us to study algorithm parameter choices over far more scenarios than would be possible with the actual simulation. This has led to interesting performance-related insights and suggested extensions. C1 [Mniszewski, Susan M.; Junghans, Christoph; Eidenbenz, Stephan J.] Los Alamos Natl Lab, Comp Computat & Stat Sci Div, Los Alamos, NM 87545 USA. [Voter, Arthur F.; Perez, Danny] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Mniszewski, SM (reprint author), Los Alamos Natl Lab, Comp Computat & Stat Sci Div, Los Alamos, NM 87545 USA. EM smm@lanl.gov; junghans@lanl.gov; afv@lanl.gov; danny_perez@lanl.gov; eidenben@lanl.gov RI Junghans, Christoph/G-4238-2010; OI Junghans, Christoph/0000-0003-0925-1458; Mniszewski, Susan/0000-0002-0077-0537; Eidenbenz, Stephan/0000-0002-2628-1854; Voter, Arthur/0000-0001-9788-7194 FU Los Alamos National Laboratory (LANL) under the Laboratory Directed Research and Development (LDRD) program; Los Alamos National Laboratory Director's fellowship; National Nuclear Security Administration of the U.S. DOE [DE-AC52-06NA25396] FX This research has been funded by the Los Alamos National Laboratory (LANL) under the Laboratory Directed Research and Development (LDRD) program. C. J. acknowledges funding by a Los Alamos National Laboratory Director's fellowship. Assigned: Los Alamos Unclassified Report 13-28342. LANL is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the U.S. DOE under contract DE-AC52-06NA25396. NR 50 TC 2 Z9 2 U1 0 U2 5 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 2 PENN PLAZA, STE 701, NEW YORK, NY 10121-0701 USA SN 1049-3301 EI 1558-1195 J9 ACM T MODEL COMPUT S JI ACM Trans. Model. Comput. Simul. PD APR PY 2015 VL 25 IS 3 AR 15 DI 10.1145/2699715 PG 26 WC Computer Science, Interdisciplinary Applications; Mathematics, Applied SC Computer Science; Mathematics GA CG8IR UT WOS:000353551400001 ER PT J AU Lechtenberg, BC Kasperkiewicz, P Robinson, H Drag, M Riedl, SJ AF Lechtenberg, Bernhard C. Kasperkiewicz, Paulina Robinson, Howard Drag, Marcin Riedl, Stefan J. TI The Elastase-PK101 Structure: Mechanism of an Ultrasensitive Activity-based Probe Revealed SO ACS CHEMICAL BIOLOGY LA English DT Article ID CRYSTAL-STRUCTURE; NEUTROPHIL ELASTASE; CATHEPSIN-G; PROTEINASE-3; PHOSPHONATE; DERIVATIVES; METHIONINE; INHIBITORS; RESOLUTION; DATABASE AB Human neutrophil elastase (HNE) plays a central role in neutrophil host defense, but its broad specificity makes HNE a difficult target for both inhibitor and probe development. Recently, we identified the unnatural amino acid containing activity-based probe PK101, which exhibits astounding sensitivity and selectivity for HNE, yet completely lacks mechanistic explanation for its unique characteristics. Here, we present the crystal structure of the HNE-PK101 complex which not only reveals the basis for PK101 ultrasensitivity but also uncovers so far unrecognized HNE features. Strikingly, the Nle(O-Bzl) function in the P4 position of PK101 reveals and leverages an exo-pocket on HNE as a critical factor for selectivity. Furthermore, the PK101 P3 position harbors a methionine dioxide function, which mimics a post-translationally oxidized methionine residue and forms a critical hydrogen bond to the backbone amide of Gly219 of HNE. Gly219 resides in a GlyGly motif that is unique to HNE, yet compulsory for this interaction. Consequently, this feature enables HNE to accommodate substrates that have undergone methionine oxidation, which constitutes a hallmark post-translational modification of neutrophil signaling. C1 [Lechtenberg, Bernhard C.; Riedl, Stefan J.] Sanford Burnham Med Res Inst, La Jolla, CA 92037 USA. [Kasperkiewicz, Paulina; Drag, Marcin] Wroclaw Univ Technol, Fac Chem, Div Bioorgan Chem, PL-50370 Wroclaw, Poland. [Robinson, Howard] Brookhaven Natl Lab, Photon Sci, Upton, NY 11973 USA. RP Riedl, SJ (reprint author), Sanford Burnham Med Res Inst, 10901 N Torrey Pines Rd, La Jolla, CA 92037 USA. EM sriedl@sanfordburnham.org FU Foundation for Polish Science; Polish Ministry of Science and Higher Education; Office of Biological and Environmental Research of the U.S. Department of Energy; Office of Basic Energy Sciences of the U.S. Department of Energy; National Center for Research Resources of the National Institutes of Health [P41RR012408]; National Institute of General Medical Sciences of the National Institutes of Health [P41GM103473]; SBMRI; EMBO Long-Term Postdoctoral Fellowship FX We thank Scott Snipas for help with the fluorogenic HNE inhibition assay. The work was supported for M.D. by Foundation for Polish Science and a statutory activity subsidy from the Polish Ministry of Science and Higher Education for the Faculty of Chemistry at Wroclaw University of Technology. Data for this study were measured at hemline X29 of the National Synchrotron Light Source. Financial support comes principally from the Offices of Biological and Environmental Research and of Basic Energy Sciences of the U.S. Department of Energy, and from the National Center for Research Resources (P41RR012408) and the National Institute of General Medical Sciences (P41GM103473) of the National Institutes of Health. This work was also supported by institutional funds from SBMRI. B.C.L. was supported by an EMBO Long-Term Postdoctoral Fellowship. NR 32 TC 3 Z9 3 U1 0 U2 12 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1554-8929 EI 1554-8937 J9 ACS CHEM BIOL JI ACS Chem. Biol. PD APR PY 2015 VL 10 IS 4 BP 945 EP 951 DI 10.1021/cb500909n PG 7 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA CG5EY UT WOS:000353315100005 PM 25581168 ER PT J AU Kovtun, O Sakrikar, D Tonalinson, ID Chang, JC Arzeta-Ferrer, X Blakely, RD Rosenthal, SJ AF Kovtun, Oleg Sakrikar, Dhananjay Tonalinson, Ian D. Chang, Jerry C. Arzeta-Ferrer, Xochitl Blakely, Randy D. Rosenthal, Sandra J. TI Single-Quantum-Dot Tracking Reveals Altered Membrane Dynamics of an Attention-Deficit/Hyperactivity-Disorder-Derived Dopamine Transporter Coding Variant SO ACS CHEMICAL NEUROSCIENCE LA English DT Article DE Attention deficit/hyperactivity disorder; amphetamine; cocaine; dopamine transporter; single quantum dot tracking; membrane dynamics ID PARTICLE TRACKING; LIPID RAFTS; SEMICONDUCTOR NANOCRYSTALS; LATERAL MOBILITY; C-TERMINUS; TRAFFICKING; AMPHETAMINE; DIFFUSION; COCAINE; RECEPTORS AB The presynaptic, cocaine- and amphetamine-sensitive dopamine (DA) transporter (DAT, SLC6A3) controls the intensity and duration of synaptic dopamine signals by rapid clearance of DA back into presynaptic nerve terminals. Abnormalities in DAT-mediated DA clearance have been linked to a variety of neuropsychiatric disorders, including addiction, autism, and attention deficit/hyperactivity disorder (ADHD). Membrane trafficking of DAT appears to be an important, albeit incompletely understood, post-translational regulatory mechanism; its dysregulation has been recently proposed as a potential risk determinant of these disorders. In this study, we demonstrate a link between an ADHD-associated DAT mutation (Arg615Cys, R615C) and variation on DAT transporter cell surface dynamics, a combination only previously studied with ensemble biochemical and optical approaches that featured limited spatiotemporal resolution. Here, we utilize high-affinity, DAT-specific antagonist-conjugated quantum dot (QD) probes to establish the dynamic mobility of wild-type and mutant DATs at the plasma membrane of living cells. Single DAT-QD complex trajectory analysis revealed that the DAT 615C variant exhibited increased membrane mobility relative to DAT 615R, with diffusion rates comparable to those observed after lipid raft disruption. This phenomenon was accompanied by a loss of transporter mobilization triggered by amphetamine, a common component of ADHD medications. Together, our data provides the first dynamic imaging of single DAT proteins, providing new insights into the relationship between surface dynamics and trafficking of both wild-type and disease-associated transporters. Our approach should be generalizable to future studies that explore the possibilities of perturbed surface DAT dynamics that may arise as a consequence of genetic alterations, regulatory changes, and drug use that contribute to the etiology or treatment of neuropsychiatric disorders. C1 [Kovtun, Oleg; Tonalinson, Ian D.; Arzeta-Ferrer, Xochitl; Rosenthal, Sandra J.] Vanderbilt Univ, Dept Chem, Nashville, TN 37235 USA. [Sakrikar, Dhananjay; Blakely, Randy D.; Rosenthal, Sandra J.] Vanderbilt Univ, Dept Pharmacol, Nashville, TN 37235 USA. [Kovtun, Oleg] McCoy & McCoy Labs Inc, Madisonville, KY 42431 USA. [Chang, Jerry C.] Rockefeller Univ, Lab Mol & Cellular Neurosci, New York, NY 10065 USA. [Blakely, Randy D.] Vanderbilt Univ, Dept Psychiat, Nashville, TN 37235 USA. [Blakely, Randy D.] Vanderbilt Univ, Silvio O Conte Ctr Neurosci Res, Nashville, TN 37235 USA. [Rosenthal, Sandra J.] Vanderbilt Univ, Dept Biomol & Chem Engn, Nashville, TN 37235 USA. [Rosenthal, Sandra J.] Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. [Rosenthal, Sandra J.] Vanderbilt Univ, Vanderbilt Inst Nanoscale Sci & Engn, Nashville, TN 37235 USA. [Rosenthal, Sandra J.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Rosenthal, SJ (reprint author), Vanderbilt Univ, Dept Chem, Box 1583, Nashville, TN 37235 USA. EM sandra.j.rosenthal@vanderbilt.edu FU NIH [EB003728, MH094527] FX This work was supported by NIH Grants EB003728 to S.J.R. and MH094527 to R.D.B. NR 61 TC 7 Z9 7 U1 2 U2 20 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1948-7193 J9 ACS CHEM NEUROSCI JI ACS Chem. Neurosci. PD APR PY 2015 VL 6 IS 4 BP 526 EP 534 DI 10.1021/cn500202c PG 9 WC Biochemistry & Molecular Biology; Chemistry, Medicinal; Neurosciences SC Biochemistry & Molecular Biology; Pharmacology & Pharmacy; Neurosciences & Neurology GA CG3MU UT WOS:000353185100004 PM 25747272 ER PT J AU Smith, BE Roder, PB Hanson, JL Manandhar, S Devaraj, A Perea, DE Kim, WJ Kilcoyne, ALD Pauzauskie, PJ AF Smith, Bennett E. Roder, Paden B. Hanson, Jennifer L. Manandhar, Sandeep Devaraj, Arun Perea, Daniel E. Kim, Woo-Joong Kilcoyne, A. L. David Pauzauskie, Peter J. TI Singlet-Oxygen Generation from Individual Semiconducting and Metallic Nanostructures during Near-Infrared Laser Trapping SO ACS PHOTONICS LA English DT Article DE singlet oxygen; silicon nanowires; laser tweezer; near-infrared; optical trap ID POROUS SILICON NANOPARTICLES; PHOTODYNAMIC THERAPY; DRUG-DELIVERY; IN-VIVO; CANCER-CELLS; GOLD; PHOTOSENSITIZERS; NANOWIRES; PORPHYRIN; AGENTS AB Photodynamic therapy has been used for several decades in the treatment of solid tumors through the optical generation of chemically reactive singlet-oxygen molecules (O-1(2)). Recently, nanoscale metallic and semiconducting materials have been reported to act as photosensitizing agents with additional diagnostic and therapeutic functionality. To date there have been no reports of observing the generation of singlet-oxygen at the level of single nanostructures, particularly at near-infrared (NIR) wavelengths. Here we demonstrate that NIR laser tweezers can be used to observe the formation of singlet oxygen produced from individual silicon and gold nanowires via use of a commercially available reporting dye. The laser trap also induces two-photon photoexcitation of the dye following a chemical reaction with singlet oxygen. Corresponding two-photon emission spectra confirms the generation of singlet oxygen from individual silicon nanowires at room temperature (30 degrees C), suggesting a range of applications for investigating semiconducting and metallic nanoscale materials for solid tumor photoablation. C1 [Smith, Bennett E.] Univ Washington, Dept Chem, Seattle, WA 98195 USA. [Roder, Paden B.; Hanson, Jennifer L.; Manandhar, Sandeep; Pauzauskie, Peter J.] Univ Washington, Mat Sci & Engn Dept, Seattle, WA 98195 USA. [Devaraj, Arun; Perea, Daniel E.] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. [Pauzauskie, Peter J.] Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA. [Kim, Woo-Joong] Seattle Univ, Dept Phys, Seattle, WA 98122 USA. [Kilcoyne, A. L. David] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Pauzauskie, PJ (reprint author), Univ Washington, Mat Sci & Engn Dept, Seattle, WA 98195 USA. EM peterpz@uw.edu RI Perea, Daniel/A-5345-2010; Kilcoyne, David/I-1465-2013; OI Manandhar, Sandeep/0000-0001-8613-5317 FU Air Force Office of Scientific Research Young Investigator Program [FA95501210400]; University of Washington; NIH T32 training grant [T32CA138312]; NSF [DGE-1256082]; M. J. Murdock Charitable Trust; Junior Faculty Professional Development (JFPD) grant from Seattle University; U.S. DOE Office of Biological and Environmental Research; U.S. DOE [DE-AC 06-76RLO 1830]; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231] FX This research was made possible by a grant from the Air Force Office of Scientific Research Young Investigator Program (contract FA95501210400) and start-up funding from the University of Washington. B.E.S. acknowledges support from an NIH T32 training grant (T32CA138312). P.B.R. thanks the NSF for a Graduate Research Fellowship under grant number DGE-1256082. W.J.K. acknowledges research support from the M. J. Murdock Charitable Trust and the Junior Faculty Professional Development (JFPD) grant from Seattle University. Support for nanomaterials characterization was provide by the PNNL Initiative on Materials Synthesis and Simulations Across Scales conducted under the Laboratory Directed Research and Development Program. The APT experiments were carried out through user proposal 48234 at the Environmental Molecular Sciences Laboratory (EMSL), a National Scientific User Facility located at the Pacific Northwest National Laboratory (PNNL) and supported by the U.S. DOE Office of Biological and Environmental Research. PNNL is operated by Battelle Memorial Institute for the U.S. DOE under contract DE-AC 06-76RLO 1830. The authors acknowledge Jeffrey Geuther at Kansas State University for assistance in acquiring NAA data. STXM data were acquired at beamline 5.3.2.2 at the Advanced Light Source, Berkeley, 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-AC02-05CH11231. The authors also thank E. James Davis for manuscript comments and the donation of an optical spectrometer with an LN2-cooled detector. NR 39 TC 5 Z9 5 U1 6 U2 40 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2330-4022 J9 ACS PHOTONICS JI ACS Photonics PD APR PY 2015 VL 2 IS 4 BP 559 EP 564 DI 10.1021/acsphotonics.5b00022 PG 6 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Optics; Physics, Applied; Physics, Condensed Matter SC Science & Technology - Other Topics; Materials Science; Optics; Physics GA CG3MT UT WOS:000353185000015 ER PT J AU Phelan, RM Sekurova, ON Keasling, JD Zotchev, SB AF Phelan, Ryan M. Sekurova, Olga N. Keasling, Jay D. Zotchev, Sergey B. TI Engineering Terpene Biosynthesis in Streptomyces for Production of the Advanced Biofuel Precursor Bisabolene SO ACS Synthetic Biology LA English DT Article DE Streptomyces; isoprenoid; terpene; biofuel; consolidated bioprocessing ID NOURSEI ATCC 11455; MICROBIAL-PRODUCTION; ESCHERICHIA-COLI; GENE-CLUSTER; IDENTIFICATION; COELICOLOR; NYSTATIN; GEOSMIN; PATHWAY; BIOMASS AB The past decade has witnessed a large influx of research toward the creation of sustainable, biologically derived fuels. While significant effort has been exerted to improve production capacity in common hosts, such as Escherichia colt or Saccharomyces cerevisiae, studies concerning alternate microbes comparatively lag. In an effort to expand the breadth of characterized hosts for fuel production, we map the terpene biosynthetic pathway in a model actinobacterium, Streptomyces venezuelae, and further alter secondary metabolism to afford the advanced biofuel precursor bisabolene. Leveraging information gained from study of the native isoprenoid pathway, we were able to increase bisabolene titer nearly 5-fold over the base production strain, more than 2 orders of magnitude greater than the combined terpene yield in the wild-type host. We also explored production on carbon sources of varying complexity to, notably, define this host as one able to perform consolidated bioprocessing. C1 [Phelan, Ryan M.; Keasling, Jay D.] Joint BioEnergy Inst, Emeryville, CA 94608 USA. [Sekurova, Olga N.; Zotchev, Sergey B.] Norwegian Univ Sci & Technol, Dept Biotechnol, N-7491 Trondheim, Norway. [Keasling, Jay D.] Univ Calif Berkeley, Dept Bioengn, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. [Keasling, Jay D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Zotchev, SB (reprint author), Norwegian Univ Sci & Technol, Dept Biotechnol, Sem Saelands Vei 6-8, N-7491 Trondheim, Norway. EM sergey.zotchev@ntnu.no FU U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research [DE-AC02-05CH11231]; Research Council of Norway FX We are grateful to P. J. Kelly, M. Charrier, and Dr. R. Li for assistance and discussions concerning this work, G. Murray for authentic bisabolene standards, and Dr. R. A. Heins for the generous gift of IL-pretreated switchgrass. This work was part of the DOE Joint BioEnergy Institute (http://www.jbei.org) supported by the U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research, through Contract DE-AC02-05CH11231 between Lawrence Berkeley National Laboratory and the U.S. Department of Energy. Additional support was received from The Research Council of Norway. NR 31 TC 9 Z9 9 U1 2 U2 36 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2161-5063 J9 ACS SYNTH BIOL JI ACS Synth. Biol. PD APR PY 2015 VL 4 IS 4 BP 393 EP 399 DI 10.1021/sb5002517 PG 7 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA CG5EJ UT WOS:000353313600006 PM 25006988 ER PT J AU Cai, F Sutter, M Bernstein, SL Kinney, JN Kerfeld, CA AF Cai, Fei Sutter, Markus Bernstein, Susan L. Kinney, James N. Kerfeld, Cheryl A. TI Engineering Bacterial Microcompartment Shells: Chimeric Shell Proteins and Chimeric Carboxysome Shells SO ACS Synthetic Biology LA English DT Article DE bacterial microcompartment; self-assembly; chimeric protein shell; synthetic shell; metabolosome; cyanobacteria ID ESCHERICHIA-COLI; ORGANELLES; ASSEMBLIES; MECHANISMS; FIXATION; INSIGHTS; MODELS AB Bacterial microcompartments (BMCs) are self-assembling organelles composed entirely of protein. Depending on the enzymes they encapsulate, BMCs function in either inorganic carbon fixation (carboxysomes) or organic carbon utilization (metabolosomes). The hallmark feature of all BMCs is a selectively permeable shell formed by multiple paralogous proteins, each proposed to confer specific flux characteristics. Gene clusters encoding diverse BMCs are distributed broadly across bacterial phyla, providing a rich variety of building blocks with a predicted range of permeability properties. In theory, shell permeability can be engineered by modifying residues flanking the pores (symmetry axes) of hexameric shell proteins or by combining shell proteins from different types of BMCs into chimeric shells. We undertook both approaches to altering shell properties using the carboxysome as a model system. There are two types of carboxysomes, alpha and beta In both, the predominant shell protein(s) contain a single copy of the BMC domain (pfam00936), but they are significantly different in primary structure. Indeed, phylogenetic analysis shows that the two types of carboxysome shell proteins are more similar to their counterparts in metabolosomes than to each other. We solved high resolution crystal structures of the major shell proteins, CsoS1 and CcmK2, and the presumed minor shell protein CcmK4, representing both types of cyanobacterial carboxysomes and then tested the interchangeability. The in vivo study presented here confirms that both engineering pores to mimic those of other shell proteins and the construction of chimeric shells is feasible. C1 [Cai, Fei; Bernstein, Susan L.; Kerfeld, Cheryl A.] Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA. [Kerfeld, Cheryl A.] Univ Calif Berkeley, Synthet Biol Inst, Berkeley, CA 94720 USA. [Cai, Fei; Sutter, Markus; Bernstein, Susan L.; Kinney, James N.; Kerfeld, Cheryl A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Sutter, Markus; Kerfeld, Cheryl A.] Michigan State Univ, MSU DOE Plant Res Lab, E Lansing, MI 48824 USA. RP Kerfeld, CA (reprint author), Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA. EM ckerfeld@lbl.gov FU NSF [MCB0851094, MCB1160614] FX This research was supported by the NSF (MCB0851094 and MCB1160614). NR 49 TC 16 Z9 17 U1 1 U2 21 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2161-5063 J9 ACS SYNTH BIOL JI ACS Synth. Biol. PD APR PY 2015 VL 4 IS 4 BP 444 EP 453 DI 10.1021/sb500226j PG 10 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA CG5EJ UT WOS:000353313600012 PM 25117559 ER PT J AU Aab, A Abreu, P Aglietta, M Ahn, EJ Al Samarai, I Albuquerque, IFM Allekotte, I Allen, J Allison, P Almela, A Castillo, JA Alvarez-Muniz, J Batista, RA Ambrosio, M Aminaei, A Anchordoqui, L Andringa, S Aramo, C Aranda, M Arqueros, F Asorey, H Assis, P Aublin, J Ave, M Avenier, M Avila, G Awal, N Badescu, AM Barber, KB Bauml, J Baus, C Beatty, JJ Becker, KH Bellido, JA Berat, C Bertaina, ME Bertou, X Biermann, PL Billoir, P Blaess, SG Blanco, M Bleve, C Blumer, H Bohacova, M Boncioli, D Bonifazi, C Bonino, R Borodai, N Brack, J Brancus, I Bridgeman, A Brogueira, P Brown, WC Buchholz, P Bueno, A Buitink, S Buscemi, M Caballero-Mora, KS Caccianiga, B Caccianiga, L Candusso, M Caramete, L Caruso, R Castellina, A Cataldi, G Cazon, L Cester, R Chavez, AG Chiavassa, A Chinellato, JA Chudoba, J Cilmo, M Clay, RW Cocciolo, G Colalillo, R Coleman, A Collica, L Coluccia, MR Conceicao, R Contreras, F Cooper, MJ Cordier, A Coutu, S Covault, CE Cronin, J Curutiu, A Dallier, R Daniel, B Dasso, S Daumiller, K Dawson, BR de Almeida, RM De Domenico, M de Jong, SJ Neto, JRTD De Mitri, I de Oliveira, J de Souza, V del Peral, L Deligny, O Dembinski, H Dhital, N Di Giulio, C Di Matteo, A Diaz, JC Castro, MLD Diogo, F Dobrigkeit, C Docters, W D'Olivo, JC Dorofeev, A Hasankiadeh, QD Dova, MT Ebr, J Engel, R Erdmann, M Erfani, M Escobar, CO Espadanal, J Etchegoyen, A Luis, PFS Falcke, H Fang, K Farrar, G Fauth, AC Fazzini, N Ferguson, AP Fernandes, M Fick, B Figueira, JM Filevich, A Filipcic, A Fox, BD Fratu, O Freire, MM Frohlich, U Fuchs, B Fujii, T Gaior, R Garcia, B Garcia-Gamez, D Garcia-Pinto, D Garilli, G Bravo, AG Gate, F Gemmeke, H Ghia, PL Giaccari, U Giammarchi, M Giller, M Glaser, C Glass, H Berisso, MG Vitale, PFG Goncalves, P Gonzalez, JG Gonzalez, N Gookin, B Gordon, J Gorgi, A Gorham, P Gouffon, P Grebe, S Griffith, N Grillo, AF Grubb, TD Guarino, F Guedes, GP Hampel, MR Hansen, P Harari, D Harrison, TA Hartmann, S Harton, JL Haungs, A Hebbeker, T Heck, D Heimann, P Herve, AE Hill, GC Hojvat, C Hollon, N Holt, E Homola, P Horandel, JR Horvath, P Hrabovsky, M Huber, D Huege, T Insolia, A Isar, PG Jandt, I Jansen, S Jarne, C Josebachuili, M Kaapa, A Kambeitz, O Kampert, KH Kasper, P Katkov, I Kegl, B Keilhauer, B Keivani, A Kemp, E Kieckhafer, RM Klages, HO Kleifges, M Kleinfeller, J Krause, R Krohm, N Kromer, O Kruppke-Hansen, D Kuempel, D Kunka, N LaHurd, D Latronico, L Lauer, R Lauscher, M Lautridou, P Le Coz, S Leao, MSAB Lebrun, D Lebrun, P de Oliveira, MAL Letessier-Selvon, A Lhenry-Yvon, I Link, K Lopez, R Louedec, K Bahilo, JL Lu, L Lucero, A Ludwig, M Malacari, M Maldera, S Mallamaci, M Maller, J Mandat, D Mantsch, P Mariazzi, AG Marin, V Maris, IC Marsella, G Martello, D Martin, L Martinez, H Bravo, OM Martraire, D Meza, JJM Mathes, HJ Mathys, S Matthews, J Matthews, JAJ Matthiae, G Maurel, D Maurizio, D Mayotte, E Mazur, PO Medina, C Medina-Tanco, G Meissner, R Melissas, M Melo, D Menshikov, A Messina, S Meyhandan, R Micanovic, S Micheletti, MI Middendorf, L Minaya, IA Miramonti, L Mitrica, B Molina-Bueno, L Mollerach, S Monasor, M Ragaigne, DM Montanet, F Morello, C Mostafa, M Moura, CA Muller, MA Muller, G Muller, S Munchmeyer, M Mussa, R Navarra, G Navas, S Necesal, P Nellen, L Nelles, A Neuser, J Nguyen, PH Niechciol, M Niemietz, L Niggemann, T Nitz, D Nosek, D Novotny, V Nozka, L Ochilo, L Oikonomou, F Olinto, A Oliveira, M Pacheco, N Selmi-Dei, DP Palatka, M Pallotta, J Palmieri, N Papenbreer, P Parente, G Parra, A Paul, T Pech, M Pekala, J Pelayo, R Pepe, IM Perrone, L Petermann, E Peters, C Petrera, S Petrov, Y Phuntsok, J Piegaia, R Pierog, T Pieroni, P Pimenta, M Pirronello, V Platino, M Plum, M Porcelli, A Porowski, C Prado, RR Privitera, P Prouza, M Purrello, V Quel, EJ Querchfeld, S Quinn, S Rautenberg, J Ravel, O Ravignani, D Revenu, B Ridky, J Riggi, S Risse, M Ristori, P Rizi, V de Carvalho, WR Fernandez, GR Rojo, JR Rodriguez-Frias, MD Rogozin, D Ros, G Rosado, J Rossler, T Roth, M Roulet, E Rovero, AC Saffi, SJ Saftoiu, A Salamida, F Salazar, H Saleh, A Greus, FS Salina, G Sanchez, F Sanchez-Lucas, P Santo, CE Santos, E Santos, EM Sarazin, F Sarkar, B Sarmento, R Sato, R Scharf, N Scherini, V Schieler, H Schiffer, P Schmidt, D Scholten, O Schoorlemmer, H Schovanek, P Schroder, FG Schulz, A Schulz, J Schumacher, J Sciutto, SJ Segreto, A Settimo, M Shadkam, A Shellard, RC Sidelnik, I Sigl, G Sima, O Smialkowski, A Smida, R Snow, GR Sommers, P Sorokin, J Squartini, R Srivastava, YN Stanic, S Stapleton, J Stasielak, J Stephan, M Stutz, A Suarez, F Suomijarvi, T Supanitsky, AD Sutherland, MS Swain, J Szadkowski, Z Szuba, M Taborda, OA Tapia, A Tepe, A Theodoro, VM Timmermans, C Peixoto, CJT Toma, G Tomankova, L Tome, B Tonachini, A Elipe, GT Machado, DT Travnicek, P Trovato, E Ulrich, R Unger, M Urban, M Galicia, JF Valino, I Valore, L van Aar, G van Bodegom, P van den Berg, AM van Velzen, S van Vliet, A Varela, E Cardenas, BV Varner, G Vazquez, JR Vazquez, RA Veberic, D Verzi, V Vicha, J Videla, M Villasenor, L Vlcek, B Vorobiov, S Wahlberg, H Wainberg, O Walz, D Watson, AA Weber, M Weidenhaupt, K Weindl, A Werner, F Widom, A Wiencke, L Wilczynska, B Wilczynski, H Williams, C Winchen, T Wittkowski, D Wundheiler, B Wykes, S Yamamoto, T Yapici, T Yuan, G Yushkov, A Zamorano, B Zas, E Zavrtanik, D Zavrtanik, M Zepeda, A Zhou, J Zhu, Y Silva, MZ Ziolkowski, M Zuccarello, F AF Aab, A. Abreu, P. Aglietta, M. Ahn, E. J. Al Samarai, I. Albuquerque, I. F. M. Allekotte, I. Allen, J. Allison, P. Almela, A. Alvarez Castillo, J. Alvarez-Muniz, J. Batista, R. Alves Ambrosio, M. Aminaei, A. Anchordoqui, L. Andringa, S. Aramo, C. Aranda, M. Arqueros, F. Asorey, H. Assis, P. Aublin, J. Ave, M. Avenier, M. Avila, G. Awal, N. Badescu, A. M. Barber, K. B. Baeuml, J. Baus, C. Beatty, J. J. Becker, K. H. Bellido, J. A. Berat, C. Bertaina, M. E. Bertou, X. Biermann, P. L. Billoir, P. Blaess, S. G. Blanco, M. Bleve, C. Bluemer, H. Bohacova, M. Boncioli, D. Bonifazi, C. Bonino, R. Borodai, N. Brack, J. Brancus, I. Bridgeman, A. Brogueira, P. Brown, W. C. Buchholz, P. Bueno, A. Buitink, S. Buscemi, M. Caballero-Mora, K. S. Caccianiga, B. Caccianiga, L. Candusso, M. Caramete, L. Caruso, R. Castellina, A. Cataldi, G. Cazon, L. Cester, R. Chavez, A. G. Chiavassa, A. Chinellato, J. A. Chudoba, J. Cilmo, M. Clay, R. W. Cocciolo, G. Colalillo, R. Coleman, A. Collica, L. Coluccia, M. R. Conceicao, R. Contreras, F. Cooper, M. J. Cordier, A. Coutu, S. Covault, C. E. Cronin, J. Curutiu, A. Dallier, R. Daniel, B. Dasso, S. Daumiller, K. Dawson, B. R. de Almeida, R. M. De Domenico, M. de Jong, S. J. de Mello Neto, J. R. T. De Mitri, I. de Oliveira, J. de Souza, V. del Peral, L. Deligny, O. Dembinski, H. Dhital, N. Di Giulio, C. Di Matteo, A. Diaz, J. C. Diaz Castro, M. L. Diogo, F. Dobrigkeit, C. Docters, W. D'Olivo, J. C. Dorofeev, A. Hasankiadeh, Q. Dorosti Dova, M. T. Ebr, J. Engel, R. Erdmann, M. Erfani, M. Escobar, C. O. Espadanal, J. Etchegoyen, A. Luis, P. Facal San Falcke, H. Fang, K. Farrar, G. Fauth, A. C. Fazzini, N. Ferguson, A. P. Fernandes, M. Fick, B. Figueira, J. M. Filevich, A. Filipcic, A. Fox, B. D. Fratu, O. Freire, M. M. Froehlich, U. Fuchs, B. Fujii, T. Gaior, R. Garcia, B. Garcia-Gamez, D. Garcia-Pinto, D. Garilli, G. Gascon Bravo, A. Gate, F. Gemmeke, H. Ghia, P. L. Giaccari, U. Giammarchi, M. Giller, M. Glaser, C. Glass, H. Gomez Berisso, M. Gomez Vitale, P. F. Goncalves, P. Gonzalez, J. G. Gonzalez, N. Gookin, B. Gordon, J. Gorgi, A. Gorham, P. Gouffon, P. Grebe, S. Griffith, N. Grillo, A. F. Grubb, T. D. Guarino, F. Guedes, G. P. Hampel, M. R. Hansen, P. Harari, D. Harrison, T. A. Hartmann, S. Harton, J. L. Haungs, A. Hebbeker, T. Heck, D. Heimann, P. Herve, A. E. Hill, G. C. Hojvat, C. Hollon, N. Holt, E. Homola, P. Horandel, J. R. Horvath, P. Hrabovsky, M. Huber, D. Huege, T. Insolia, A. Isar, P. G. Jandt, I. Jansen, S. Jarne, C. Josebachuili, M. Kaeaepae, A. Kambeitz, O. Kampert, K. H. Kasper, P. Katkov, I. Kegl, B. Keilhauer, B. Keivani, A. Kemp, E. Kieckhafer, R. M. Klages, H. O. Kleifges, M. Kleinfeller, J. Krause, R. Krohm, N. Kroemer, O. Kruppke-Hansen, D. Kuempel, D. Kunka, N. LaHurd, D. Latronico, L. Lauer, R. Lauscher, M. Lautridou, P. Le Coz, S. Leao, M. S. A. B. Lebrun, D. Lebrun, P. Leigui de Oliveira, M. A. Letessier-Selvon, A. Lhenry-Yvon, I. Link, K. Lopez, R. Louedec, K. Lozano Bahilo, J. Lu, L. Lucero, A. Ludwig, M. Malacari, M. Maldera, S. Mallamaci, M. Maller, J. Mandat, D. Mantsch, P. Mariazzi, A. G. Marin, V. Maris, I. C. Marsella, G. Martello, D. Martin, L. Martinez, H. Martinez Bravo, O. Martraire, D. Masias Meza, J. J. Mathes, H. J. Mathys, S. Matthews, J. Matthews, J. A. J. Matthiae, G. Maurel, D. Maurizio, D. Mayotte, E. Mazur, P. O. Medina, C. Medina-Tanco, G. Meissner, R. Melissas, M. Melo, D. Menshikov, A. Messina, S. Meyhandan, R. Micanovic, S. Micheletti, M. I. Middendorf, L. Minaya, I. A. Miramonti, L. Mitrica, B. Molina-Bueno, L. Mollerach, S. Monasor, M. Ragaigne, D. Monnier Montanet, F. Morello, C. Mostafa, M. Moura, C. A. Muller, M. A. Mueller, G. Mueller, S. Muenchmeyer, M. Mussa, R. Navarra, G. Navas, S. Necesal, P. Nellen, L. Nelles, A. Neuser, J. Nguyen, P. H. Niechciol, M. Niemietz, L. Niggemann, T. Nitz, D. Nosek, D. Novotny, V. Nozka, L. Ochilo, L. Oikonomou, F. Olinto, A. Oliveira, M. Pacheco, N. Pakk Selmi-Dei, D. Palatka, M. Pallotta, J. Palmieri, N. Papenbreer, P. Parente, G. Parra, A. Paul, T. Pech, M. Pekala, J. Pelayo, R. Pepe, I. M. Perrone, L. Petermann, E. Peters, C. Petrera, S. Petrov, Y. Phuntsok, J. Piegaia, R. Pierog, T. Pieroni, P. Pimenta, M. Pirronello, V. Platino, M. Plum, M. Porcelli, A. Porowski, C. Prado, R. R. Privitera, P. Prouza, M. Purrello, V. Quel, E. J. Querchfeld, S. Quinn, S. Rautenberg, J. Ravel, O. Ravignani, D. Revenu, B. Ridky, J. Riggi, S. Risse, M. Ristori, P. Rizi, V. Rodrigues de Carvalho, W. Fernandez, G. Rodriguez Rodriguez Rojo, J. Rodriguez-Frias, M. D. Rogozin, D. Ros, G. Rosado, J. Rossler, T. Roth, M. Roulet, E. Rovero, A. C. Saffi, S. J. Saftoiu, A. Salamida, F. Salazar, H. Saleh, A. Greus, F. Salesa Salina, G. Sanchez, F. Sanchez-Lucas, P. Santo, C. E. Santos, E. Santos, E. M. Sarazin, F. Sarkar, B. Sarmento, R. Sato, R. Scharf, N. Scherini, V. Schieler, H. Schiffer, P. Schmidt, D. Scholten, O. Schoorlemmer, H. Schovanek, P. Schroeder, F. G. Schulz, A. Schulz, J. Schumacher, J. Sciutto, S. J. Segreto, A. Settimo, M. Shadkam, A. Shellard, R. C. Sidelnik, I. Sigl, G. Sima, O. Smialkowski, A. Smida, R. Snow, G. R. Sommers, P. Sorokin, J. Squartini, R. Srivastava, Y. N. Stanic, S. Stapleton, J. Stasielak, J. Stephan, M. Stutz, A. Suarez, F. Suomijaervi, T. Supanitsky, A. D. Sutherland, M. S. Swain, J. Szadkowski, Z. Szuba, M. Taborda, O. A. Tapia, A. Tepe, A. Theodoro, V. M. Timmermans, C. Todero Peixoto, C. J. Toma, G. Tomankova, L. Tome, B. Tonachini, A. Torralba Elipe, G. Torres Machado, D. Travnicek, P. Trovato, E. Ulrich, R. Unger, M. Urban, M. Valdes Galicia, J. F. Valino, I. Valore, L. van Aar, G. van Bodegom, P. van den Berg, A. M. van Velzen, S. van Vliet, A. Varela, E. Vargas Cardenas, B. Varner, G. Vazquez, J. R. Vazquez, R. A. Veberic, D. Verzi, V. Vicha, J. Videla, M. Villasenor, L. Vlcek, B. Vorobiov, S. Wahlberg, H. Wainberg, O. Walz, D. Watson, A. A. Weber, M. Weidenhaupt, K. Weindl, A. Werner, F. Widom, A. Wiencke, L. Wilczynska, B. Wilczynski, H. Williams, C. Winchen, T. Wittkowski, D. Wundheiler, B. Wykes, S. Yamamoto, T. Yapici, T. Yuan, G. Yushkov, A. Zamorano, B. Zas, E. Zavrtanik, D. Zavrtanik, M. Zepeda, A. Zhou, J. Zhu, Y. Zimbres Silva, M. Ziolkowski, M. Zuccarello, F. CA Pierre Auger Collaboration TI LARGE SCALE DISTRIBUTION OF ULTRA HIGH ENERGY COSMIC RAYS DETECTED AT THE PIERRE AUGER OBSERVATORY WITH ZENITH ANGLES UP TO 80 degrees SO ASTROPHYSICAL JOURNAL LA English DT Article DE astroparticle physics; cosmic rays ID AIR-SHOWER ARRAY; ARRIVAL DIRECTIONS; SURFACE DETECTOR; ANISOTROPY; SPECTRUM; SEARCHES; ICECUBE AB We present the results of an analysis of the large angular scale distribution of the arrival directions of cosmic rays with energy above 4 EeV detected at the Pierre Auger Observatory including for the first time events with zenith angle between 60 degrees and 80 degrees. We perform two Rayleigh analyses, one in the right ascension and one in the azimuth angle distributions, that are sensitive to modulations in right ascension and declination, respectively. The largest departure from isotropy appears in the E > 8 EeV energy bin, with an amplitude for the first harmonic in right ascension r(1)(alpha) = (4.4 +/- 1.0) x 10(-2), that has a chance probability P(>= r(1)(alpha)) = 6.4 x 10(-5), reinforcing the hint previously reported with vertical events alone. C1 [Allekotte, I.; Asorey, H.; Ave, M.; Bertou, X.; Gomez Berisso, M.; Harari, D.; Purrello, V.; Roulet, E.; Sidelnik, I.; Taborda, O. A.] CNEA UNCuyo CONICET, Ctr Atom Bariloche, San Carlos De Bariloche, Rio Negro, Argentina. [Allekotte, I.; Asorey, H.; Ave, M.; Bertou, X.; Gomez Berisso, M.; Harari, D.; Mollerach, S.; Purrello, V.; Roulet, E.; Sidelnik, I.; Taborda, O. A.] CNEA UNCuyo CONICET, Inst Balseiro, San Carlos De Bariloche, Rio Negro, Argentina. [Pallotta, J.; Quel, E. J.; Ristori, P.] CITEDEF, Ctr Invest Laseres & Aplicac, Buenos Aires, DF, Argentina. [Dasso, S.; Masias Meza, J. J.; Pallotta, J.; Piegaia, R.; Pieroni, P.; Quel, E. J.; Ristori, P.] Consejo Nacl Invest Cient & Tecn, RA-1033 Buenos Aires, DF, Argentina. [Dasso, S.; Masias Meza, J. J.; Piegaia, R.; Pieroni, P.] Univ Buenos Aires, FCEyN, Dept Fis, RA-1053 Buenos Aires, DF, Argentina. [Dova, M. T.; Hansen, P.; Jarne, C.; Mariazzi, A. G.; Sciutto, S. J.; Wahlberg, H.] Univ Nacl La Plata, IFLP, RA-1900 La Plata, Buenos Aires, Argentina. [Dova, M. T.; Hansen, P.; Jarne, C.; Mariazzi, A. G.; Sciutto, S. J.; Wahlberg, H.] Consejo Nacl Invest Cient & Tecn, La Plata, Buenos Aires, Argentina. [Dasso, S.; Rovero, A. C.; Supanitsky, A. D.] CONICET UBA, IAFE, Inst Astron & Fis Espacio, Buenos Aires, DF, Argentina. [Freire, M. M.; Micheletti, M. I.] CONICET UNR, Inst Fis Rosario IFIR, Rosario, Santa Fe, Argentina. [Freire, M. M.; Micheletti, M. 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J.; Dawson, B. R.; Grubb, T. D.; Harrison, T. A.; Hill, G. C.; Malacari, M.; Nguyen, P. H.; Saffi, S. J.; Sorokin, J.; van Bodegom, P.] Univ Adelaide, Adelaide, SA, Australia. [Maurizio, D.; Shellard, R. C.] Ctr Brasileiro Pesquisas Fis, Rio De Janeiro, RJ, Brazil. [Leao, M. S. A. B.] Fac Independente Nordeste, Vitoria Da Conquista, Brazil. [Todero Peixoto, C. J.] Univ Sao Paulo, Escola Engn Lorena, Lorena, SP, Brazil. [de Souza, V.; Prado, R. R.] Univ Sao Paulo, Inst Fis Sao Carlos, Sao Carlos, SP, Brazil. [Albuquerque, I. F. M.; Gouffon, P.; Santos, E. M.] Univ Sao Paulo, Inst Fis, BR-01498 Sao Paulo, SP, Brazil. [Chinellato, J. A.; Daniel, B.; Diaz Castro, M. L.; Dobrigkeit, C.; Escobar, C. O.; Fauth, A. C.; Kemp, E.; Muller, M. A.; Pakk Selmi-Dei, D.; Santos, E.; Theodoro, V. M.; Zimbres Silva, M.] Univ Estadual Campinas, IFGW, Campinas, SP, Brazil. [Guedes, G. P.] Univ Estadual Feira de Santana, Feira De Santana, Brazil. [Pepe, I. M.] Univ Fed Bahia, Salvador, BA, Brazil. [Muller, M. A.] Univ Fed Pelotas, Pelotas, RS, Brazil. [Leigui de Oliveira, M. A.; Moura, C. A.] Univ Fed ABC, Santo Andre, SP, Brazil. [Bonifazi, C.; de Mello Neto, J. R. T.; Fernandes, M.; Giaccari, U.; Torres Machado, D.] Univ Fed Rio de Janeiro, Inst Fis, Rio De Janeiro, RJ, Brazil. [de Almeida, R. M.; de Oliveira, J.] Univ Fed Fluminense, EEIMVR, Volta Redonda, RJ, Brazil. [Micanovic, S.] Rudjer Boskovic Inst, Zagreb 10000, Croatia. [Nosek, D.; Novotny, V.] Charles Univ Prague, Fac Math & Phys, Inst Nucl & Particle Phys, Prague, Czech Republic. [Bohacova, M.; Chudoba, J.; Ebr, J.; Hrabovsky, M.; Mandat, D.; Necesal, P.; Palatka, M.; Pech, M.; Prouza, M.; Ridky, J.; Schovanek, P.; Travnicek, P.; Vicha, J.] Acad Sci Czech Republic, Inst Phys, Prague, Czech Republic. [Horvath, P.; Hrabovsky, M.; Nozka, L.; Rossler, T.] Palacky Univ, RCPTM, CR-77147 Olomouc, Czech Republic. [Al Samarai, I.; Deligny, O.; Lhenry-Yvon, I.; Martraire, D.; Salamida, F.; Suomijaervi, T.] Univ Paris 11, CNRS, IN2P3, Inst Phys Nucl Orsay, Paris, France. [Cordier, A.; Garcia-Gamez, D.; Kegl, B.; Ragaigne, D. Monnier; Veberic, D.] Univ Paris 11, CNRS, IN2P3, Lab Accelerateur Lineaire, Paris, France. [Aublin, J.; Billoir, P.; Blanco, M.; Caccianiga, L.; Gaior, R.; Ghia, P. L.; Letessier-Selvon, A.; Muenchmeyer, M.; Settimo, M.] Univ Paris 06, Lab Phys Nucl & Hautes Energies, Paris, France. [Aublin, J.; Billoir, P.; Blanco, M.; Caccianiga, L.; Gaior, R.; Ghia, P. L.; Letessier-Selvon, A.; Muenchmeyer, M.; Settimo, M.] Univ Paris 07, CNRS, IN2P3, Paris, France. [Avenier, M.; Berat, C.; Le Coz, S.; Lebrun, D.; Louedec, K.; Montanet, F.; Stutz, A.] Univ Grenoble Alpes, CNRS, IN2P3, Lab Phys Subat & Cosmol, Grenoble, France. [Dallier, R.; Martin, L.] Observ Paris, CNRS, INSU, Stn Radioastron Nancay, Paris, France. [Dallier, R.; Gate, F.; Lautridou, P.; Maller, J.; Marin, V.; Martin, L.; Ravel, O.; Revenu, B.] Univ Nantes, CNRS, IN2P3, Ecole Mines Nantes,SUBATECH, F-44035 Nantes, France. [Becker, K. H.; Homola, P.; Jandt, I.; Kaeaepae, A.; Kampert, K. H.; Krohm, N.; Kruppke-Hansen, D.; Lu, L.; Mathys, S.; Neuser, J.; Niemietz, L.; Papenbreer, P.; Querchfeld, S.; Rautenberg, J.; Sarkar, B.; Winchen, T.; Wittkowski, D.] Berg Univ Wuppertal, Wuppertal, Germany. [Baeuml, J.; Baus, C.; Bluemer, H.; Fuchs, B.; Gonzalez, J. G.; Huber, D.; Kambeitz, O.; Katkov, I.; Link, K.; Ludwig, M.; Maurel, D.; Melissas, M.; Palmieri, N.; Werner, F.] Karlsruhe Inst Technol, Inst Expt Kernphys IEKP, D-76021 Karlsruhe, Germany. [Bluemer, H.; Bridgeman, A.; Daumiller, K.; Dembinski, H.; Hasankiadeh, Q. Dorosti; Engel, R.; Haungs, A.; Heck, D.; Herve, A. E.; Holt, E.; Huege, T.; Keilhauer, B.; Klages, H. O.; Mathes, H. J.; Muller, M. A.; Pierog, T.; Porcelli, A.; Rogozin, D.; Roth, M.; Schieler, H.; Schmidt, D.; Schulz, A.; Smida, R.; Szuba, M.; Tomankova, L.; Ulrich, R.; Unger, M.; Weindl, A.] Karlsruhe Inst Technol, Inst Kernphys, D-76021 Karlsruhe, Germany. [Gemmeke, H.; Kleifges, M.; Kroemer, O.; Kunka, N.; Menshikov, A.; Weber, M.; Zhu, Y.] Karlsruhe Inst Technol, Inst Prozessdatenverarbeitung & Elekt, D-76021 Karlsruhe, Germany. [Biermann, P. L.; Caramete, L.; Curutiu, A.] Max Planck Inst Radioastron, D-53121 Bonn, Germany. [Erdmann, M.; Glaser, C.; Hartmann, S.; Hebbeker, T.; Krause, R.; Kuempel, D.; Lauscher, M.; Meissner, R.; Middendorf, L.; Muller, M. A.; Niggemann, T.; Peters, C.; Plum, M.; Scharf, N.; Schumacher, J.; Stephan, M.; Urban, M.; Walz, D.; Weidenhaupt, K.] Rhein Westfal TH Aachen, Phys Inst 3A, Aachen, Germany. [Batista, R. Alves; Schiffer, P.; Sigl, G.; van Vliet, A.] Univ Hamburg, Hamburg, Germany. [Aab, A.; Buchholz, P.; Erfani, M.; Froehlich, U.; Heimann, P.; Niechciol, M.; Ochilo, L.; Risse, M.; Tepe, A.; Yushkov, A.; Ziolkowski, M.] Univ Siegen, D-57068 Siegen, Germany. [Caccianiga, B.; Collica, L.; Giammarchi, M.; Mallamaci, M.; Miramonti, L.] Univ Milan, Milan, Italy. [Caccianiga, B.; Collica, L.; Giammarchi, M.; Mallamaci, M.; Miramonti, L.] Sezione Ist Nazl Fis Nucl, Milan, Italy. [Ambrosio, M.; Aramo, C.; Buscemi, M.; Cilmo, M.; Colalillo, R.; Guarino, F.; Valore, L.] Univ Naples Federico II, Naples, Italy. [Ambrosio, M.; Aramo, C.; Buscemi, M.; Cilmo, M.; Colalillo, R.; Guarino, F.; Valore, L.] Sezione Ist Nazl Fis Nucl, Naples, Italy. [Candusso, M.; Di Giulio, C.; Matthiae, G.; Fernandez, G. Rodriguez; Salina, G.; Verzi, V.] Univ Roma Tor Vergata, I-00173 Rome, Italy. [Candusso, M.; Di Giulio, C.; Matthiae, G.; Fernandez, G. Rodriguez; Salina, G.; Verzi, V.] Sezione Ist Nazl Fis Nucl, Rome, Italy. [Caruso, R.; De Domenico, M.; Garilli, G.; Insolia, A.; Pirronello, V.; Riggi, S.; Trovato, E.; Zuccarello, F.] Univ Catania, Catania, Italy. [Caruso, R.; De Domenico, M.; Garilli, G.; Insolia, A.; Pirronello, V.; Riggi, S.; Trovato, E.; Zuccarello, F.] Sezione Ist Nazl Fis Nucl, Catania, Italy. [Cester, R.; Mussa, R.; Tonachini, A.] Univ Turin, Turin, Italy. [Aglietta, M.; Bertaina, M. E.; Bonino, R.; Castellina, A.; Cester, R.; Chiavassa, A.; Gorgi, A.; Latronico, L.; Maldera, S.; Morello, C.; Mussa, R.; Navarra, G.; Tonachini, A.] Sezione Ist Nazl Fis Nucl, Turin, Italy. [Bleve, C.; Cataldi, G.; Cocciolo, G.; Coluccia, M. R.; De Mitri, I.; Marsella, G.; Martello, D.; Perrone, L.; Scherini, V.] Univ Salento, Dipartimento Matemat & Fis E De Giorgi, Lecce, Italy. [Bleve, C.; Cataldi, G.; Cocciolo, G.; Coluccia, M. R.; De Mitri, I.; Marsella, G.; Martello, D.; Perrone, L.; Scherini, V.] Sezione Ist Nazl Fis Nucl, Lecce, Italy. [Di Matteo, A.; Petrera, S.; Rizi, V.] Univ Aquila, Dipartimento Sci Fis & Chim, I-67100 Laquila, Italy. [Di Matteo, A.; Petrera, S.; Rizi, V.] Ist Nazl Fis Nucl, Milan, Italy. [Petrera, S.] Ist Nazl Fis Nucl, Gran Sasso Sci Inst, Laquila, Italy. [Segreto, A.] INAF, Ist Astrofis Spaziale & Fis Cosm Palermo, Palermo, Italy. [Boncioli, D.; Grillo, A. F.] Ist Nazl Fis Nucl, Lab Nazl Gran Sasso, Laquila, Italy. [Aglietta, M.; Bertaina, M. E.; Bonino, R.; Castellina, A.; Chiavassa, A.; Gorgi, A.; Latronico, L.; Maldera, S.; Morello, C.; Navarra, G.] Univ Turin, INAF, Osservatorio Astrofis Torino, Turin, Italy. [Lopez, R.; Martinez Bravo, O.; Parra, A.; Pelayo, R.; Salazar, H.; Varela, E.] Benemerita Univ Autonoma Puebla, Puebla, Mexico. [Caballero-Mora, K. S.; Martinez, H.; Zepeda, A.] CINVESTAV, IPN, Ctr Invest & Estudios Avanzados, Mexico City 14000, DF, Mexico. [Chavez, A. G.; Villasenor, L.] Univ Michoacana, Morelia, Michoacan, Mexico. [Alvarez Castillo, J.; D'Olivo, J. C.; Medina-Tanco, G.; Nellen, L.; Valdes Galicia, J. F.; Vargas Cardenas, B.] Univ Nacl Autonoma Mexico, Mexico City 04510, DF, Mexico. [Aminaei, A.; Buitink, S.; de Jong, S. J.; Falcke, H.; Grebe, S.; Horandel, J. R.; Jansen, S.; Nelles, A.; Schoorlemmer, H.; Schulz, J.; Timmermans, C.; van Aar, G.; van Velzen, S.; Wykes, S.] Radboud Univ Nijmegen, IMAPP, NL-6525 ED Nijmegen, Netherlands. [Docters, W.; Messina, S.; Scholten, O.; van den Berg, A. M.] Univ Groningen, Adv Radiat Technol Ctr, KVI, NL-9700 AB Groningen, Netherlands. [de Jong, S. J.; Falcke, H.; Grebe, S.; Horandel, J. R.; Jansen, S.; Nelles, A.; Schoorlemmer, H.; Timmermans, C.] Nikhef, Amsterdam, Netherlands. [Falcke, H.] ASTRON, Dwingeloo, Netherlands. [Borodai, N.; Pekala, J.; Porowski, C.; Stasielak, J.; Wilczynska, B.; Wilczynski, H.] PAN, Inst Nucl Phys, Krakow, Poland. [Giller, M.; Smialkowski, A.; Szadkowski, Z.] Univ Lodz, PL-90131 Lodz, Poland. [Abreu, P.; Andringa, S.; Assis, P.; Brogueira, P.; Cazon, L.; Conceicao, R.; Diogo, F.; Espadanal, J.; Goncalves, P.; Oliveira, M.; Pimenta, M.; Santo, C. E.; Sarmento, R.; Tome, B.] Univ Lisbon, Lab Instrumentacao & Fis Expt Particulas LIP, P-1699 Lisbon, Portugal. [Abreu, P.; Andringa, S.; Assis, P.; Brogueira, P.; Cazon, L.; Conceicao, R.; Diogo, F.; Espadanal, J.; Goncalves, P.; Oliveira, M.; Pimenta, M.; Santo, C. E.; Sarmento, R.; Tome, B.] Univ Lisbon, Inst Super Tecn, P-1699 Lisbon, Portugal. [Brancus, I.; Mitrica, B.; Saftoiu, A.; Toma, G.] Horia Hulubei Natl Inst Phys & Nucl Engn, Bucharest 077125, Romania. [Isar, P. G.] Inst Space Sci, Bucharest, Romania. [Sima, O.] Univ Bucharest, Dept Phys, Bucharest, Romania. [Badescu, A. M.; Fratu, O.] Univ Politehn Bucuresti, Bucharest, Romania. [Filipcic, A.; Zavrtanik, D.; Zavrtanik, M.] Jozef Stefan Inst, Expt Particle Phys Dept, Ljubljana, Slovenia. [Filipcic, A.; Saleh, A.; Stanic, S.; Vorobiov, S.; Zavrtanik, D.; Zavrtanik, M.] Univ Nova Gorica, Lab Astroparticle Phys, Nova Gorcia, Slovenia. [Aranda, M.; Arqueros, F.; Garcia-Pinto, D.; Minaya, I. A.; Rosado, J.; Vazquez, J. R.] Univ Complutense Madrid, Madrid, Spain. [del Peral, L.; Pacheco, N.; Rodriguez-Frias, M. D.; Ros, G.; Vlcek, B.] Univ Alcala De Henares, Madrid, Spain. [Bueno, A.; Gascon Bravo, A.; Lozano Bahilo, J.; Maris, I. C.; Molina-Bueno, L.; Navas, S.; Sanchez-Lucas, P.; Zamorano, B.] Univ Granada, Granada, Spain. [Bueno, A.; Gascon Bravo, A.; Lozano Bahilo, J.; Maris, I. C.; Molina-Bueno, L.; Navas, S.; Sanchez-Lucas, P.; Zamorano, B.] CAFPE, Granada, Spain. [Alvarez-Muniz, J.; Parente, G.; Rodrigues de Carvalho, W.; Torralba Elipe, G.; Valino, I.; Vazquez, R. A.; Zas, E.] Univ Santiago de Compostela, Santiago De Compostela, Spain. [Lu, L.; Watson, A. A.] Univ Leeds, Sch Phys & Astron, Leeds LS2 9JT, W Yorkshire, England. [Covault, C. E.; Ferguson, A. P.; LaHurd, D.; Quinn, S.] Case Western Reserve Univ, Cleveland, OH 44106 USA. [Mayotte, E.; Medina, C.; Sarazin, F.; Wiencke, L.] Colorado Sch Mines, Golden, CO 80401 USA. [Brack, J.; Dorofeev, A.; Gookin, B.; Harton, J. L.; Petrov, Y.] Colorado State Univ, Ft Collins, CO 80523 USA. [Brown, W. C.] Colorado State Univ, Pueblo, CO USA. [Anchordoqui, L.; Paul, T.] CUNY, Lehman Coll, Dept Phys & Astron, New York, NY 10021 USA. [Ahn, E. J.; Escobar, C. O.; Fazzini, N.; Glass, H.; Hojvat, C.; Kasper, P.; Lebrun, P.; Mantsch, P.; Mazur, P. O.] Fermilab Natl Accelerator Lab, Batavia, IL USA. [Matthews, J.; Shadkam, A.; Yuan, G.] Louisiana State Univ, Baton Rouge, LA 70803 USA. [Dhital, N.; Diaz, J. C.; Fick, B.; Kieckhafer, R. M.; Nitz, D.; Yapici, T.] Michigan Technol Univ, Houghton, MI 49931 USA. [Allen, J.; Awal, N.; Farrar, G.; Unger, M.] NYU, New York, NY USA. [Paul, T.; Srivastava, Y. N.; Swain, J.; Widom, A.] Northeastern Univ, Boston, MA 02115 USA. [Allison, P.; Beatty, J. J.; Gordon, J.; Griffith, N.; Stapleton, J.; Sutherland, M. S.] Ohio State Univ, Columbus, OH 43210 USA. [Coleman, A.; Coutu, S.; Keivani, A.; Mostafa, M.; Oikonomou, F.; Phuntsok, J.; Greus, F. Salesa; Sommers, P.] Penn State Univ, University Pk, PA 16802 USA. [Cronin, J.; Luis, P. Facal San; Fang, K.; Fujii, T.; Hollon, N.; Monasor, M.; Olinto, A.; Privitera, P.; Williams, C.; Yamamoto, T.; Zhou, J.] Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. [Fox, B. D.; Gorham, P.; Meyhandan, R.; Schoorlemmer, H.; Varner, G.] Univ Hawaii, Honolulu, HI 96822 USA. [Petermann, E.; Snow, G. R.] Univ Nebraska, Lincoln, NE USA. [Lauer, R.; Matthews, J. A. J.] Univ New Mexico, Albuquerque, NM 87131 USA. [Zepeda, A.] Univ Autonoma Chiapas, Chiapas, Mexico. [Scholten, O.] Vrije Univ Brussels, Brussels, Belgium. RP Aab, A (reprint author), Univ Siegen, D-57068 Siegen, Germany. RI Fauth, Anderson/F-9570-2012; De Domenico, Manlio/B-5826-2014; Sao Carlos Institute of Physics, IFSC/USP/M-2664-2016; Abreu, Pedro/L-2220-2014; Assis, Pedro/D-9062-2013; Navas, Sergio/N-4649-2014; Cazon, Lorenzo/G-6921-2014; Conceicao, Ruben/L-2971-2014; Bueno, Antonio/F-3875-2015; Beatty, James/D-9310-2011; Guarino, Fausto/I-3166-2012; Carvalho Jr., Washington/H-9855-2015; Badescu, Alina/B-6087-2012; Albuquerque, Ivone/H-4645-2012; Todero Peixoto, Carlos Jose/G-3873-2012; Parente, Gonzalo/G-8264-2015; dos Santos, Eva/N-6351-2013; Alvarez-Muniz, Jaime/H-1857-2015; de souza, Vitor/D-1381-2012; Rosado, Jaime/K-9109-2014; Valino, Ines/J-8324-2012; Torralba Elipe, Guillermo/A-9524-2015; Caramete, Laurentiu/C-2328-2011; Horvath, Pavel/G-6334-2014; Garcia Pinto, Diego/J-6724-2014; Espadanal, Joao/I-6618-2015; Vazquez, Jose Ramon/K-2272-2015; Martello, Daniele/J-3131-2012; Sima, Octavian/C-3565-2011; Insolia, Antonio/M-3447-2015; Ros, German/L-4764-2014; van den Berg, Adriaan/P-6792-2015; de Mello Neto, Joao/C-5822-2013; Pech, Miroslav/G-5760-2014; Brogueira, Pedro/K-3868-2012; Lozano-Bahilo, Julio/F-4881-2016; zas, enrique/I-5556-2015; Chinellato, Jose Augusto/I-7972-2012; Chinellato, Carola Dobrigkeit /F-2540-2011; Arqueros, Fernando/K-9460-2014; Goncalves, Patricia /D-8229-2013; Moura Santos, Edivaldo/K-5313-2016; Tome, Bernardo/J-4410-2013; Gouffon, Philippe/I-4549-2012; de Almeida, Rogerio/L-4584-2016; Buscemi, Mario/R-5071-2016; Colalillo, Roberta/R-5088-2016; Zuccarello, Francesca/R-1834-2016; Bonino, Raffaella/S-2367-2016; Rodriguez Frias, Maria /A-7608-2015; Inst. of Physics, Gleb Wataghin/A-9780-2017; De Mitri, Ivan/C-1728-2017; Mitrica, Bogdan/D-5201-2009; Alves Batista, Rafael/K-6642-2012; Rodriguez Fernandez, Gonzalo/C-1432-2014; Nosek, Dalibor/F-1129-2017; Pimenta, Mario/M-1741-2013; OI Fauth, Anderson/0000-0001-7239-0288; De Domenico, Manlio/0000-0001-5158-8594; Abreu, Pedro/0000-0002-9973-7314; Assis, Pedro/0000-0001-7765-3606; Navas, Sergio/0000-0003-1688-5758; Cazon, Lorenzo/0000-0001-6748-8395; Conceicao, Ruben/0000-0003-4945-5340; Bueno, Antonio/0000-0002-7439-4247; Beatty, James/0000-0003-0481-4952; Guarino, Fausto/0000-0003-1427-9885; Carvalho Jr., Washington/0000-0002-2328-7628; Albuquerque, Ivone/0000-0001-7328-0136; Todero Peixoto, Carlos Jose/0000-0003-3669-8212; Parente, Gonzalo/0000-0003-2847-0461; dos Santos, Eva/0000-0002-0474-8863; Alvarez-Muniz, Jaime/0000-0002-2367-0803; Rosado, Jaime/0000-0001-8208-9480; Valino, Ines/0000-0001-7823-0154; Torralba Elipe, Guillermo/0000-0001-8738-194X; Horvath, Pavel/0000-0002-6710-5339; Garcia Pinto, Diego/0000-0003-1348-6735; Espadanal, Joao/0000-0002-1301-8061; Vazquez, Jose Ramon/0000-0001-9217-5219; Martello, Daniele/0000-0003-2046-3910; Insolia, Antonio/0000-0002-9040-1566; Ros, German/0000-0001-6623-1483; de Mello Neto, Joao/0000-0002-3234-6634; Brogueira, Pedro/0000-0001-6069-4073; Lozano-Bahilo, Julio/0000-0003-0613-140X; zas, enrique/0000-0002-4430-8117; Chinellato, Jose Augusto/0000-0002-3240-6270; Chinellato, Carola Dobrigkeit /0000-0002-1236-0789; Arqueros, Fernando/0000-0002-4930-9282; Goncalves, Patricia /0000-0003-2042-3759; Moura Santos, Edivaldo/0000-0002-2818-8813; Tome, Bernardo/0000-0002-7564-8392; Gouffon, Philippe/0000-0001-7511-4115; de Almeida, Rogerio/0000-0003-3104-2724; Buscemi, Mario/0000-0003-2123-5434; Colalillo, Roberta/0000-0002-4179-9352; Zuccarello, Francesca/0000-0003-1853-2550; Rodriguez Frias, Maria /0000-0002-2550-4462; De Mitri, Ivan/0000-0002-8665-1730; Alves Batista, Rafael/0000-0003-2656-064X; Rodriguez Fernandez, Gonzalo/0000-0002-4683-230X; Nosek, Dalibor/0000-0001-6219-200X; Marsella, Giovanni/0000-0002-3152-8874; Aramo, Carla/0000-0002-8412-3846; Sigl, Guenter/0000-0002-4396-645X; Segreto, Alberto/0000-0001-7341-6603; Salamida, Francesco/0000-0002-9306-8447; Ravignani, Diego/0000-0001-7410-8522; Cataldi, Gabriella/0000-0001-8066-7718; Aglietta, Marco/0000-0001-8354-5388; Castellina, Antonella/0000-0002-0045-2467; maldera, simone/0000-0002-0698-4421; Matthews, James/0000-0002-1832-4420; Pimenta, Mario/0000-0002-2590-0908; de Jong, Sijbrand/0000-0002-3120-3367 FU Comision Nacional de Energia Atomica, Argentina; Fundacion Antorchas, Argentina; Gobierno de la Provincia de Mendoza, Argentina; Municipalidad de Malargue, Argentina; NDM Holdings and Valle Las Lenas, Argentina; Australian Research Council, Brazil; Conselho Nacional de Desenvolvimento Cientifico e Tecnologico (CNPq), Brazil; Financiadora de Estudos e Projetos (FINEP), Brazil; Fundacao de Amparo a Pesquisa do Estado de Rio de Janeiro (FAPERJ), Brazil; Sao Paulo Research Foundation (FAPESP), Brazil [2012/51015-5, 2010/07359-6, 1999/05404-3]; Ministerio de Ciencia e Tecnologia (MCT), Brazil; Czech Science Foundation Grant, Czech Republic [14-17501 S]; Centre de Calcul IN2P3/CNRS, France; Centre National de la Recherche Scientifique (CNRS), France; Conseil Regional Ile-de-France, France; Departement Physique Nucleaire et Corpusculaire (PNC-IN2P3/CNRS), France; Departement Sciences de l'Univers (SDU-INSU/CNRS), France; Institut Lagrange de Paris (ILP) within the Investissements d'Avenir Programme, France [LABEX ANR-10-LABX-63, ANR-11-IDEX-0004-02]; Bundesministerium fur Bildung und Forschung (BMBF), Germany; Deutsche Forschungsgemeinschaft (DFG), Germany; Finanzministerium Baden-Wurttemberg, Germany; Helmholtz Alliance for Astroparticle Physics (HAP), Germany; Helmholtz-Gemeinschaft Deutscher Forschungszentrum (HGF), Germany; Ministerium fur Wissenschaft und Forschung, Germany; Nordrhein Westfalen, Germany; Ministerium fur Wissenschaft, Germany; Forschung und Kunst, Germany; Baden-Wurttemberg, Germany; Istituto Nazionale di Fisica Nucleare (INFN), Italy; Ministero dell'Istruzione, dell'Universita e della Ricerca (MIUR), Italy; Gran Sasso Center for Astroparticle Physics (CFA), Italy; CETEMPS Center of Excellence, Italy; Consejo Nacional de Ciencia y Tecnologia (CONACYT), Mexico; Ministerie van Onderwijs, Cultuur en Wetenschap, The Netherlands; Nederlandse Organisatie voor Wetenschappelijk Onderzoek (NWO), The Netherlands; Stichting voor Fundamenteel Onderzoek der Materie (FOM), The Netherlands, Poland; National Centre for Research and Development, Poland [ERA-NET-ASPERA/01/11, ERA-NET-ASPERA/02/11]; National Science Centre, Poland [2013/08/M/ST9/00322, 2013/08/M/ST9/00728, HARMONIA 5-2013/10/M/ST9/00062]; Portuguese national funds, Portugal; FEDER funds within Programa Operacional Factores de Competitividade through Fundacao para a Ciencia e a Tecnologia (COMPETE), Portugal; Romanian Authority for Scientific Research ANCS, CNDI-UEFISCDI partnership projects Grants, Romania [20/2012, 194/2012, 1/ASPERA2/2012 ERA-NET, PN-II-RU-PD-2011-3-0145-17, PN-II-RU-PD-2011-3-0062]; Minister of National Education, Programme Space Technology and Advanced Research (STAR), Romania [83/2013]; Slovenian Research Agency, Slovenia; Comunidad de Madrid, FEDER funds, Spain; Ministerio de Educacion y Ciencia, Spain; Xunta de Galicia, Spain; European Community 7th Framework Program, Spain [FP7-PEOPLE-2012-IEF-328826]; Science and Technology Facilities Council, United Kingdom; Department of Energy [DE-AC02-07CH11359, DE-FR02-04ER41300, DE-FG02-99ER41107, DE-SC0011689]; National Science Foundation [0450696]; Grainger Foundation, USA; NAFOSTED, Vietnam; Marie Curie-IRSES/EPLANET, European Particle Physics Latin American Network, European Union 7th Framework Program [PIRSES-2009-GA-246806]; UNESCO; [MSMT-CR LG13007]; [7AMB14AR005]; [CZ.1.05/2.1.00/03.0058] FX The successful installation, commissioning, and operation of the Pierre Auger Observatory would not have been possible without the strong commitment and effort from the technical and administrative staff in Malargue. We are very grateful to the following agencies and organizations for financial support: Comision Nacional de Energia Atomica, Fundacion Antorchas, Gobierno de la Provincia de Mendoza, Municipalidad de Malargue, NDM Holdings and Valle Las Lenas, in gratitude for their continuing cooperation over land access, Argentina; the Australian Research Council; Conselho Nacional de Desenvolvimento Cientifico e Tecnologico (CNPq), Financiadora de Estudos e Projetos (FINEP), Fundacao de Amparo a Pesquisa do Estado de Rio de Janeiro (FAPERJ), Sao Paulo Research Foundation (FAPESP) Grants No. 2012/51015-5, 2010/07359-6 and No. 1999/05404-3, Ministerio de Ciencia e Tecnologia (MCT), Brazil; Grant No. MSMT-CR LG13007, No. 7AMB14AR005, No. CZ.1.05/2.1.00/03.0058 and the Czech Science Foundation Grant No. 14-17501 S, Czech Republic; Centre de Calcul IN2P3/CNRS, Centre National de la Recherche Scientifique (CNRS), Conseil Regional Ile-de-France, Departement Physique Nucleaire et Corpusculaire (PNC-IN2P3/CNRS), Departement Sciences de l'Univers (SDU-INSU/CNRS), Institut Lagrange de Paris (ILP) Grant No. LABEX ANR-10-LABX-63, within the Investissements d'Avenir Programme Grant No. ANR-11-IDEX-0004-02, France; Bundesministerium fur Bildung und Forschung (BMBF), Deutsche Forschungsgemeinschaft (DFG), Finanzministerium Baden-Wurttemberg, Helmholtz Alliance for Astroparticle Physics (HAP), Helmholtz-Gemeinschaft Deutscher Forschungszentrum (HGF), Helmholtz Alliance for Astroparticle Physics (HAP), Ministerium fur Wissenschaft und Forschung, Nordrhein Westfalen, Ministerium fur Wissenschaft, Forschung und Kunst, Baden-Wurttemberg, Germany; Istituto Nazionale di Fisica Nucleare (INFN), Ministero dell'Istruzione, dell'Universita e della Ricerca (MIUR), Gran Sasso Center for Astroparticle Physics (CFA), CETEMPS Center of Excellence, Italy; Consejo Nacional de Ciencia y Tecnologia (CONACYT), Mexico; Ministerie van Onderwijs, Cultuur en Wetenschap, Nederlandse Organisatie voor Wetenschappelijk Onderzoek (NWO), Stichting voor Fundamenteel Onderzoek der Materie (FOM), The Netherlands; National Centre for Research and Development, Grants No. ERA-NET-ASPERA/01/11 and No. ERA-NET-ASPERA/02/11, National Science Centre, Grants No. 2013/08/M/ST9/00322, No. 2013/08/M/ST9/00728 and No. HARMONIA 5-2013/10/M/ST9/00062, Poland; Portuguese national funds and FEDER funds within Programa Operacional Factores de Competitividade through Fundacao para a Ciencia e a Tecnologia (COMPETE), Portugal; Romanian Authority for Scientific Research ANCS, CNDI-UEFISCDI partnership projects Grants No. 20/2012 and No. 194/2012, Grants No. 1/ASPERA2/2012 ERA-NET, No. PN-II-RU-PD-2011-3-0145-17 and No. PN-II-RU-PD-2011-3-0062, the Minister of National Education, Programme Space Technology and Advanced Research (STAR), Grant No. 83/2013, Romania; Slovenian Research Agency, Slovenia; Comunidad de Madrid, FEDER funds, Ministerio de Educacion y Ciencia, Xunta de Galicia, European Community 7th Framework Program, Grant No. FP7-PEOPLE-2012-IEF-328826, Spain; Science and Technology Facilities Council, United Kingdom; Department of Energy, Contracts No. DE-AC02-07CH11359, No. DE-FR02-04ER41300, No. DE-FG02-99ER41107 and No. DE-SC0011689, National Science Foundation, Grant No.; 0450696, The Grainger Foundation, USA; NAFOSTED, Vietnam; Marie Curie-IRSES/EPLANET, European Particle Physics Latin American Network, European Union 7th Framework Program, Grant No. PIRSES-2009-GA-246806; and UNESCO. NR 31 TC 14 Z9 14 U1 4 U2 53 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X EI 1538-4357 J9 ASTROPHYS J JI Astrophys. J. PD APR 1 PY 2015 VL 802 IS 2 AR 111 DI 10.1088/0004-637X/802/2/111 PG 11 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA CG1DZ UT WOS:000353014500039 ER PT J AU Desai, MI Allegrini, F Dayeh, MA Funsten, H Heerikhuisen, J McComas, DJ Fuselier, SA Pogorelov, N Schwadron, NA Zank, GP Zirnstein, EJ AF Desai, M. I. Allegrini, F. Dayeh, M. A. Funsten, H. Heerikhuisen, J. McComas, D. J. Fuselier, S. A. Pogorelov, N. Schwadron, N. A. Zank, G. P. Zirnstein, E. J. TI LATITUDINAL AND ENERGY DEPENDENCE OF ENERGETIC NEUTRAL ATOM SPECTRAL INDICES MEASURED BY THE INTERSTELLAR BOUNDARY EXPLORER SO ASTROPHYSICAL JOURNAL LA English DT Article DE ISM: atoms; magnetohydrodynamics (MHD); shock waves; solar wind; Sun: heliosphere ID 1ST 5 YEARS; TERMINATION SHOCK; LO OBSERVATIONS; PICKUP IONS; ENA FLUX; IBEX; RIBBON; HELIOSHEATH; PARAMETERS; HELIOSPHERE AB We investigate the latitudinal and energy dependence of the globally distributed 0.5-6 keV energetic neutral atom (ENA) spectra measured by the Interstellar Boundary Explorer (IBEX) during the first 3 yrs of the mission. Our results are: (1) the ENA spectral indices at the two lowest energies (0.89 and 1.47 keV) exhibit no clear trend with ecliptic latitude theta, while those at similar to 2.29 and similar to 3.41 keV exhibit a clear latitudinal pattern; flatter spectra occur above 60 degrees latitude and steeper spectra occur +/- 30 degrees of the equator. (2) The latitudinal dependence of the spectral indices at different energies can be represented by the cosine function gamma = a(0)+ a(1) cos (a(2)theta) with unique offsets, amplitudes, and phase angles; the higher energy ENA indices transition to successively larger amplitudes within +/- 45 degrees of the equator. Our results confirm the previously reported latitudinal organization of the ENA spectra and their remarkable similarity to that of the solar wind (SW) speed observed by Ulysses in the inner heliosphere. While earlier studies showed that the similar to 0.5-6 keV globally distributed ENA spectral indices could be represented as single power laws over much of the sky, our new results indicate that this is an over-simplification because the spectral indices have an energy and latitude dependence. This dependence is an important factor that must be taken into consideration by models and simulations that seek to map the IBEX ENA observations back to the latitudinal profile of the SW speed structure observed in the inner heliosphere. C1 [Desai, M. I.; Allegrini, F.; Dayeh, M. A.; McComas, D. J.; Fuselier, S. A.; Schwadron, N. A.] Southwest Res Inst, San Antonio, TX 78238 USA. [Desai, M. I.; Allegrini, F.; McComas, D. J.; Fuselier, S. A.] Univ Texas San Antonio, Dept Phys & Astron, San Antonio, TX 78249 USA. [Funsten, H.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Heerikhuisen, J.; Pogorelov, N.; Zank, G. P.; Zirnstein, E. J.] Univ Alabama, Ctr Space Plasma & Aeron Res, Huntsville, AL 35805 USA. [Heerikhuisen, J.; Pogorelov, N.; Zank, G. P.] Univ Alabama, Dept Space Sci, Huntsville, AL 35805 USA. [Schwadron, N. A.] Univ New Hampshire, Dept Phys, Durham, NH 03824 USA. [Schwadron, N. A.] Univ New Hampshire, Ctr Space Sci, Durham, NH 03824 USA. RP Desai, MI (reprint author), Southwest Res Inst, 6220 Culebra Rd, San Antonio, TX 78238 USA. EM mdesai@swri.edu OI Funsten, Herbert/0000-0002-6817-1039; Heerikhuisen, Jacob/0000-0001-7867-3633 FU U.S. Department of Energy; NASA [NNX11AB48G, NNX12AH44G, NNX12AB30G, NNX14AJ53G]; DOE [DE-SC0008334]; NSF [OCI-1144120]; NASA earth and Space Science Fellowship [NNX11AP91H] FX We thank all the outstanding people who have made IBEX a successful mission. Work at LANL was carried out under the auspices of the U.S. Department of Energy. This research was carried out under the IBEX mission, which is part of the NASA Explorer Program. J.H. and N.P. were supported in part by NASA grants NNX11AB48G, NNX12AH44G, NNX12AB30G, and NNX14AJ53G, DOE grant DE-SC0008334, and NSF grant OCI-1144120. E.Z. acknowledges support from a NASA earth and Space Science Fellowship NNX11AP91H. NR 43 TC 4 Z9 4 U1 0 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X EI 1538-4357 J9 ASTROPHYS J JI Astrophys. J. PD APR 1 PY 2015 VL 802 IS 2 AR 100 DI 10.1088/0004-637X/802/2/100 PG 7 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA CG1DZ UT WOS:000353014500028 ER PT J AU Guo, F Giacalone, J AF Guo, Fan Giacalone, Joe TI THE ACCELERATION OF ELECTRONS AT COLLISIONLESS SHOCKS MOVING THROUGH A TURBULENT MAGNETIC FIELD SO ASTROPHYSICAL JOURNAL LA English DT Article DE acceleration of particles; cosmic rays; shock waves; turbulence ID QUASI-PERPENDICULAR SHOCKS; CHARGED-PARTICLE MOTION; EARTHS BOW SHOCK; II RADIO-BURST; NUMERICAL SIMULATIONS; COSMIC-RAYS; STREAMING INSTABILITY; ASTROPHYSICAL SHOCKS; DRIFT ACCELERATION; SUPERNOVA-REMNANTS AB We perform a numerical-simulation study of the acceleration of electrons at shocks that propagate through a prespecified, kinematically defined turbulent magnetic field. The turbulence consists of broadband magnetic fluctuations that are embedded in the plasma and cover a range of wavelengths, the smallest of which is larger than the gyroradii of electrons that are initially injected into the system. We find that when the variance of the turbulent component of the upstream magnetic field is sufficiently large-sigma(2) similar to 10 B-0(2), where B-0 is the strength of the background magnetic field-electrons can be efficiently accelerated at a collisionless shock regardless of the orientation of the mean upstream magnetic field relative to the shock-normal direction. Since the local angle between the incident magnetic-field vector and the shock-normal vector can be quite large, electrons can be accelerated through shock-drift acceleration at the shock front. In the upstream region, electrons are mirrored back to the shock front leading to multiple shock encounters. Eventually. the accelerated electrons are energetic enough that their gyroradii are of the same order as the wavelength of waves that are included in our description of the turbulent magnetic field. Our results are consistent with recent in situ observations at Saturn's bow shock. This. study may help us to understand the acceleration of electrons at shocks in space and astrophysical systems. C1 [Guo, Fan] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Giacalone, Joe] Univ Arizona, Dept Planetary Sci, Tucson, AZ 85721 USA. [Giacalone, Joe] Univ Arizona, Lunar & Planetary Lab, Tucson, AZ 85721 USA. RP Guo, F (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM guofan.ustc@gmail.com RI Guo, Fan/H-1723-2013; OI Guo, Fan/0000-0003-4315-3755 FU NASA [NNX11AO64G]; NSF [AGS1154223, AGS1135432] FX F.G. benefited from discussions with Dr. Hongqing He and Dr. Yi-Hsin Liu. This work was supported by NASA under grant NNX11AO64G and by NSF under grants AGS1154223 and AGS1135432. Part of the computational resource supporting this work were provided by the institutional computing resources at the Los Alamos National Laboratory. NR 74 TC 4 Z9 5 U1 1 U2 11 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X EI 1538-4357 J9 ASTROPHYS J JI Astrophys. J. PD APR 1 PY 2015 VL 802 IS 2 AR 97 DI 10.1088/0004-637X/802/2/97 PG 8 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA CG1DZ UT WOS:000353014500025 ER PT J AU Wakelam, V Loison, JC Herbst, E Pavone, B Bergeat, A Beroff, K Chabot, M Faure, A Galli, D Geppert, WD Gerlich, D Gratier, P Harada, N Hickson, KM Honvault, P Klippenstein, SJ Le Picard, SD Nyman, G Ruaud, M Schlemmer, S Sims, IR Talbi, D Tennyson, J Wester, R AF Wakelam, V. Loison, J. -C. Herbst, E. Pavone, B. Bergeat, A. Beroff, K. Chabot, M. Faure, A. Galli, D. Geppert, W. D. Gerlich, D. Gratier, P. Harada, N. Hickson, K. M. Honvault, P. Klippenstein, S. J. Le Picard, S. D. Nyman, G. Ruaud, M. Schlemmer, S. Sims, I. R. Talbi, D. Tennyson, J. Wester, R. TI THE 2014 KIDA NETWORK FOR INTERSTELLAR CHEMISTRY SO ASTROPHYSICAL JOURNAL SUPPLEMENT SERIES LA English DT Article DE astrochemistry; astronomical databases: miscellaneous; ISM: abundances; ISM: molecules ID CHEMICAL KINETIC DATA; TEMPERATURE RATE CONSTANTS; PROTON-TRANSFER REACTIONS; GAS-PHASE CHEMISTRY; ION-FLOW TUBE; SURFACE-REACTIONS; PROPELLANT COMBUSTION; MOLECULAR CLOUDS; ATOMIC OXYGEN; OH RADICALS AB Chemical models used to study the chemical composition of the gas and the ices in the interstellar medium are based on a network of chemical reactions and associated rate coefficients. These reactions and rate coefficients are partially compiled from data in the literature, when available. We present in this paper kida.uva.2014, a new updated version of the kida.uva public gas-phase network first released in 2012. In addition to a description of the many specific updates, we illustrate changes in the predicted abundances of molecules for cold dense cloud conditions as compared with the results of the previous version of our network, kida.uva.2011. C1 [Wakelam, V.; Pavone, B.; Gratier, P.; Ruaud, M.] Univ Bordeaux, LAB, UMR 5804, F-33270 Floirac, France. [Wakelam, V.; Pavone, B.; Gratier, P.; Ruaud, M.] CNRS, LAB, UMR 5804, F-33270 Floirac, France. [Loison, J. -C.; Bergeat, A.; Hickson, K. M.] Univ Bordeaux, ISM, CNRS, UMR 5255, F-33400 Talence, France. [Loison, J. -C.; Bergeat, A.; Hickson, K. M.] CNRS, ISM, UMR 5255, F-33400 Talence, France. [Herbst, E.] Univ Virginia, Dept Chem, Charlottesville, VA 22904 USA. [Herbst, E.] Univ Virginia, Dept Astron, Charlottesville, VA 22904 USA. [Herbst, E.] Univ Virginia, Dept Phys, Charlottesville, VA 22904 USA. [Beroff, K.] CNRS, Inst Sci Mol Orsay, F-91405 Orsay, France. [Beroff, K.] Univ Paris 11, F-91405 Orsay, France. [Chabot, M.] CNRS, IN2P3, Inst Phys Nucl Orsay, F-91406 Orsay, France. [Chabot, M.] Univ Paris 11, F-91406 Orsay, France. [Faure, A.] Univ Grenoble Alpes, IPAG, F-38000 Grenoble, France. [Faure, A.] CNRS, IPAG, F-38000 Grenoble, France. [Galli, D.] INAF, Osservatorio Astrofis Arcetri, I-50125 Florence, Italy. [Geppert, W. D.] Univ Stockholm, Dept Phys, SE-10691 Stockholm, Sweden. [Gerlich, D.] Tech Univ Chemnitz, Dept Phys, Chemnitz, Germany. [Harada, N.] Acad Sinica, Inst Astron & Astrophys, Sect 4, Taipei 10617, Taiwan. [Honvault, P.] Univ Bourgogne, UMR CNRS 5209, Lab Interdisciplinaire Carnot Bourgogne, F-21078 Dijon, France. [Honvault, P.] Univ Franche Comte, UFR Sci & Tech, F-25030 Besancon, France. [Klippenstein, S. J.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Le Picard, S. D.; Sims, I. R.] Univ Rennes 1, UMR CNRS 6251, Inst Phys Rennes, F-35042 Rennes, France. [Nyman, G.] Univ Gothenburg, Dept Chem & Mol Biol, SE-41296 Gothenburg, Sweden. [Schlemmer, S.] Univ Cologne, Inst Phys 1, D-50937 Cologne, Germany. [Talbi, D.] CNRS, UMR 5299, Lab Univ & Particules Montpellier, F-34095 Montpellier, France. [Talbi, D.] Univ Montpellier, F-34095 Montpellier, France. [Tennyson, J.] UCL, Dept Phys & Astron, London WC1E 6BT, England. [Wester, R.] Univ Innsbruck, Inst Ionenphys & Angew Phys, A-6020 Innsbruck, Austria. RP Wakelam, V (reprint author), Univ Bordeaux, LAB, UMR 5804, F-33270 Floirac, France. EM wakelam@obs.u-bordeaux1.fr RI Tennyson, Jonathan/I-2222-2012; Sims, Ian/F-8989-2014; Wester, Roland/J-6293-2012; HONVAULT, Pascal/B-2993-2010; Schlemmer, Stephan/E-2903-2015; Nyman, Gunnar/B-1705-2009; Dep. Molecular Physics, Team/B-5839-2016; Bergeat, Astrid/K-6780-2016; OI Wakelam, Valentine/0000-0001-9676-2605; Tennyson, Jonathan/0000-0002-4994-5238; Sims, Ian/0000-0001-7870-1585; Wester, Roland/0000-0001-7935-6066; HONVAULT, Pascal/0000-0001-6857-5511; Schlemmer, Stephan/0000-0002-1421-7281; Klippenstein, Stephen/0000-0001-6297-9187; Galli, Daniele/0000-0001-7706-6049; Gratier, Pierre/0000-0002-6636-4304; Bergeat, Astrid/0000-0002-3961-5710; Ruaud, Maxime/0000-0003-0522-5789; Hickson, Kevin/0000-0001-8317-2606 FU European Research Council Starting Grant 3DICE [336474]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences [DE-AC02-06CH11357]; NSF; NASA FX The maintenance and development of the KIDA database are possible thanks to the European Research Council Starting Grant 3DICE (grant agreement 336474), the French program PCMI and the Observatoire Aquitain des Sciences de l'Univers. The KIDA team is also grateful to the persons who submitted data to the database. S.D.L.P. is grateful to the Institut Universitaire de France, while E.H. thanks the NSF and NASA for support. The work at Argonne is supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences under Contract No. DE-AC02-06CH11357. NR 104 TC 38 Z9 38 U1 10 U2 42 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0067-0049 EI 1538-4365 J9 ASTROPHYS J SUPPL S JI Astrophys. J. Suppl. Ser. PD APR PY 2015 VL 217 IS 2 AR 20 DI 10.1088/0067-0049/217/2/20 PG 7 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA CG8GK UT WOS:000353545100001 ER PT J AU Utschig, LM Soltau, SR Tiede, DM AF Utschig, Lisa M. Soltau, Sarah R. Tiede, David M. TI Light-driven hydrogen production from Photosystem I-catalyst hybrids SO CURRENT OPINION IN CHEMICAL BIOLOGY LA English DT Review ID MOLECULAR ELECTROCATALYSTS; PHOTOCATALYTIC SYSTEMS; AQUEOUS-SOLUTIONS; NICKEL-CATALYST; H-2; COMPLEXES; PHOTOSYNTHESIS; RESOLUTION; EVOLUTION; OXYGEN AB Solar energy conversion of water into environmentally clean fuels, such as hydrogen, offers one of the best long-term solutions for meeting future global energy needs. In photosynthesis, high quantum yield charge separation is achieved by a series of rapid, photoinitiated electron transfer steps that take place in proteins called reaction centers (RCs). Of current interest are new strategies that couple RC photochemistry to the direct synthesis of energy-rich molecules, offering opportunities to more directly tune the products of photosynthesis and potentially to increase solar energy conversion capacity. Innovative designs link RC photochemistry with synthetic molecular catalysts to create earth abundant biohybrid complexes that use light to rapidly produce hydrogen from water. C1 [Utschig, Lisa M.; Soltau, Sarah R.; Tiede, David M.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Utschig, LM (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. EM utschig@anl.gov FU Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Science of the U.S. Department of Energy [DE-AC02-06CH11357] FX This work is supported by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Science of the U.S. Department of Energy under Contract DE-AC02-06CH11357. NR 58 TC 12 Z9 12 U1 2 U2 36 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1367-5931 EI 1879-0402 J9 CURR OPIN CHEM BIOL JI Curr. Opin. Chem. Biol. PD APR PY 2015 VL 25 BP 1 EP 8 DI 10.1016/j.cbpa.2014.11.019 PG 8 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA CG2HO UT WOS:000353095700003 PM 25500176 ER PT J AU McManamay, RA Bevelhimer, MS Frimpong, EA AF McManamay, Ryan A. Bevelhimer, Mark S. Frimpong, Emmanuel A. TI Associations among hydrologic classifications and fish traits to support environmental flow standards SO ECOHYDROLOGY LA English DT Article DE environmental flow; streams; water policy; aquatic conservation ID LIFE-HISTORY STRATEGIES; FRESH-WATER FISHES; CONTERMINOUS UNITED-STATES; SPECIES TRAITS; POPULATION REGULATION; REPRODUCTIVE GUILDS; REGIONAL PROCESSES; LANDSCAPE REGIONS; STREAM ECOLOGY; RIVER AB Classification systems are valuable to ecological management in that they organize information into consolidated units thereby providing efficient means to achieve conservation objectives. Of the many ways classifications benefit management, hypothesis generation has been discussed as the most important. However, in order to provide templates for developing and testing ecologically relevant hypotheses, classifications created using environmental variables must be linked to ecological patterns. Herein, we develop associations between a recent US hydrologic classification and fish traits in order to form a template for generating flow-ecology hypotheses and supporting environmental flow standard development. Tradeoffs in adaptive strategies for fish were observed across a spectrum of stable, perennial flow to unstable intermittent flow. In accordance with theory, periodic strategists were associated with stable, predictable flow, whereas opportunistic strategists were more affiliated with intermittent, variable flows. We developed linkages between the uniqueness of hydrologic character and ecological distinction among classes, which may translate into predictions between losses in hydrologic uniqueness and ecological community response. Comparisons of classification strength between hydrologic classifications and other frameworks suggested that spatially contiguous classifications with higher regionalization will tend to explain more variation in ecological patterns. Despite explaining less ecological variation than other frameworks, we contend that hydrologic classifications are still useful because they provide a conceptual linkage between hydrologic variation and ecological communities to support flow-ecology relationships. Mechanistic associations among fish traits and hydrologic classes support the presumption that environmental flow standards should be developed uniquely for stream classes and ecological communities, therein. Published 2014. This article is a U.S. Government work and is in the public domain in the USA. C1 [McManamay, Ryan A.; Bevelhimer, Mark S.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37922 USA. [Frimpong, Emmanuel A.] Virginia Polytech Inst & State Univ, Fish & Wildlife Conservat, Blacksburg, VA 24061 USA. RP McManamay, RA (reprint author), Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37922 USA. EM mcmanamayra@ornl.gov FU United States Department of Energy's (DOE) Office of Energy Efficiency and Renewable Energy, Wind and Water Power Technologies Program; U.S. Department of Energy [DE-AC05-00OR22725] FX This research was sponsored by the United States Department of Energy's (DOE) Office of Energy Efficiency and Renewable Energy, Wind and Water Power Technologies Program. This paper has been authored by employees of Oak Ridge National Laboratory, managed by UT-Battelle, LLC, under contract DE-AC05-00OR22725 with the U.S. Department of Energy. Accordingly, the United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government's purposes. We are very grateful to two anonymous reviewers who provided comments that considerably improved this manuscript. We also thank Henriette Jager and Shih-Chieh Kao for providing editorial suggestions on earlier versions of this manuscript. NR 63 TC 6 Z9 6 U1 2 U2 31 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1936-0584 EI 1936-0592 J9 ECOHYDROLOGY JI Ecohydrology PD APR PY 2015 VL 8 IS 3 BP 460 EP 479 DI 10.1002/eco.1517 PG 20 WC Ecology; Environmental Sciences; Water Resources SC Environmental Sciences & Ecology; Water Resources GA CG4FE UT WOS:000353238400012 ER PT J AU McCormick, RL Ratcliff, MA Christensen, E Fouts, L Luecke, J Chupka, GM Yanowitz, J Tian, M Boot, M AF McCormick, Robert L. Ratcliff, Matthew A. Christensen, Earl Fouts, Lisa Luecke, Jon Chupka, Gina M. Yanowitz, Janet Tian, Miao Boot, Michael TI Properties of Oxygenates Found in Upgraded Biomass Pyrolysis Oil as Components of Spark and Compression Ignition Engine Fuels SO ENERGY & FUELS LA English DT Article ID BIO-OIL; FLASH PYROLYSIS; PERSPECTIVE; ALKYLATION; VISCOSITY; PHENOL AB Oxygenates present in partially hydroprocessed lignocellulosic-biomass pyrolysis oils were examined for their impact on the performance properties of gasoline and diesel. These included: methyltetrahydrofuran, 2,5-dimethylfuran (DMF), 2-hexanone, 4-methylanisole, phenol, p-cresol, 2,4-xylenol, guaiacol, 4-methylguaiacol, 4-methylacetophenone, 4-propylphenol, and 4-propylguaiacol. Literature values indicate that acute toxicity for these compounds falls within the range of the components in petroleum-derived fuels. On the basis of the available data, 4-methylanisole and by extension other methyl aryl ethers appear to be the best drop-in fuel components for gasoline because they significantly increase research octane number and slightly reduce vapor pressure without significant negative fuel property effects. A significant finding is that DMF can produce high levels of gum under oxidizing conditions. If the poor stability results observed for DMF could be addressed with a stabilizer additive or removal of impurities, it could also be considered a strong drop-in fuel candidate. The low solubility of phenol and p-cresol (and by extension, the two other cresol isomers) in hydrocarbons and the observation that phenol is also highly extractable into water suggest that these molecules cannot likely be present above trace levels in drop-in fuels. The diesel boiling range oxygenates all have low cetane numbers, which presents challenges for blending into diesel fuel. There were some beneficial properties observed for the phenolic oxygenates in diesel, including increasing conductivity, lubricity, and oxidation stability of the diesel fuel. Oxygenates other than phenol and cresol, including other phenolic compounds, showed no negative impacts at the low blend levels examined here and could likely be present in an upgraded bio-oil gasoline or diesel blendstock at low levels to make a drop-in fuel. On the basis of solubility parameter theory, 4-methylanisole and DMF showed less interaction with elastomers than ethanol, while phenolic compounds showed somewhat greater interaction. This effect is not large, especially at low blend levels, and is also less significant as the size and number of alkyl substituents on the phenol ring increase. C1 [McCormick, Robert L.; Ratcliff, Matthew A.; Christensen, Earl; Fouts, Lisa; Luecke, Jon; Chupka, Gina M.] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Yanowitz, Janet] EcoEngineering Inc, Boulder, CO 80304 USA. [Tian, Miao; Boot, Michael] Tech Univ Eindhoven, NL-5612 AZ Eindhoven, Netherlands. RP McCormick, RL (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM robert.mccormick@nrel.gov RI McCormick, Robert/B-7928-2011 FU U.S. Department of Energy, Vehicle Technologies Office [DE347-AC36-99GO10337]; National Renewable Energy Laboratory; Funding Opportunity Announcement [DE-FOA-0000239] FX This work was supported by the U.S. Department of Energy, Vehicle Technologies Office, under Contract No. DE347-AC36-99GO10337 with the National Renewable Energy Laboratory, and was awarded under Funding Opportunity Announcement DE-FOA-0000239. NR 42 TC 11 Z9 11 U1 1 U2 22 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0887-0624 EI 1520-5029 J9 ENERG FUEL JI Energy Fuels PD APR PY 2015 VL 29 IS 4 BP 2453 EP 2461 DI 10.1021/ef502893g PG 9 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA CG4JQ UT WOS:000353251800045 ER PT J AU Oasmaa, A van de Beld, B Saari, P Elliott, DC Solantausta, Y AF Oasmaa, Anja van de Beld, Bert Saari, Pia Elliott, Douglas C. Solantausta, Yrjo TI Norms, Standards, and Legislation for Fast Pyrolysis Bio-oils from Lignocellulosic Biomass SO ENERGY & FUELS LA English DT Article ID END-USER; QUALITY; FUEL; LIQUIDS; ENGINES; WOOD AB Fast pyrolysis of woody biomass is close to full maturity, with first-of-its-kind commercial size installations for fuel production being commissioned in Finland (Fortum) and in The Netherlands (Empyro), and in the design phase in Brazil (Ensyn). In the industrial-scale combustion tests, the use of fast pyrolysis bio-oil (FPBO) has been demonstrated to be a viable option to replace heavy fuel oil in district heating applications. Commercially usable district heating boilers and burners suitable for FPBO are available. There is research on diesel-engine and gas-turbine applications but, so far, no proven demonstrations. FPBO is completely different from mineral oils; hence, standards are needed. Analytical methods have been systematically validated and modifications to the standards as well as completely new methods have been made. Two ASTM burner fuel standards already exist and European boiler fuel grades are being developed under CEN. The focus on CEN standardization is on boiler use, because of its commercial readiness. C1 [Oasmaa, Anja; Solantausta, Yrjo] Tech Res Ctr Finland, VTT, Espoo 02044, Finland. [van de Beld, Bert] BTG, NL-7500 AV Enschede, Netherlands. [Saari, Pia] Fortum Power & Heat, Fortum 00048, Finland. [Elliott, Douglas C.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Oasmaa, A (reprint author), Tech Res Ctr Finland, VTT, Biologinkuja 5, Espoo 02044, Finland. EM anja.oasmaa@vtt.fi NR 51 TC 17 Z9 17 U1 4 U2 24 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0887-0624 EI 1520-5029 J9 ENERG FUEL JI Energy Fuels PD APR PY 2015 VL 29 IS 4 BP 2471 EP 2484 DI 10.1021/acs.energyfuels.5b00026 PG 14 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA CG4JQ UT WOS:000353251800047 ER PT J AU Moore, RH Shook, M Beyersdorf, A Corr, C Herndon, S Knighton, WB Miake-Lye, R Thornhill, KL Winstead, EL Yu, ZH Ziemba, LD Anderson, BE AF Moore, Richard H. Shook, Michael Beyersdorf, Andreas Corr, Chelsea Herndon, Scott Knighton, W. Berk Miake-Lye, Richard Thornhill, K. Lee Winstead, Edward L. Yu, Zhenhong Ziemba, Luke D. Anderson, Bruce E. TI Influence of Jet Fuel Composition on Aircraft Engine Emissions: A Synthesis of Aerosol Emissions Data from the NASA APEX, AAFEX, and ACCESS Missions SO ENERGY & FUELS LA English DT Article ID PARTICULATE-EMISSIONS; COMMERCIAL AIRCRAFT; PARTICLE EMISSIONS; TURBINE AB We statistically analyze the impact of jet fuel properties on aerosols emitted by the NASA Douglas DC-8 (Tail No. N817NA) CFM56-2-C1 engines burning 15 different aviation fuels. Data were collected for this single engine type during four different, comprehensive ground tests conducted over the past decade, which allow us to clearly link changes in aerosol emissions to fuel compositional changes. It is found that the fuel aromatic and sulfur content most affect the volatile aerosol fraction, which dominates the variability (but not necessarily the magnitude) of the number and volume emissions indices (EIs) over all engine powers. Meanwhile, the naphthalenic content of the fuel determines the magnitude of the nonvolatile number and volume EI as well as the black carbon mass EI. Linear regression coefficients are reported for each aerosol EI in terms of these properties, engine fuel flow rate, and ambient temperature and show that reducing both fuel sulfur content and naphthalenes to near-zero levels would result in roughly a 10-fold decrease in aerosol number emitted per kilogram of fuel burned. This work informs future efforts to model aircraft emissions changes as the aviation fleet gradually begins to transition toward low-aromatic, low-sulfur alternative jet fuels from biobased or Fischer-Tropsch production pathways. C1 [Moore, Richard H.; Shook, Michael; Beyersdorf, Andreas; Corr, Chelsea; Thornhill, K. Lee; Winstead, Edward L.; Ziemba, Luke D.; Anderson, Bruce E.] NASA Langley Res Ctr, Hampton, VA 23681 USA. [Shook, Michael; Thornhill, K. Lee; Winstead, Edward L.] SSAI, Hampton, VA 23666 USA. [Corr, Chelsea] Oak Ridge Associated Univ, NASA Postdoctoral Program, Oak Ridge, TN 37830 USA. [Herndon, Scott; Miake-Lye, Richard; Yu, Zhenhong] Aerodyne Res Inc, Billerica, MA 01821 USA. [Knighton, W. Berk] Montana State Univ, Bozeman, MT 59717 USA. RP Moore, RH (reprint author), NASA Langley Res Ctr, Hampton, VA 23681 USA. EM richard.h.moore@nasa.gov FU NASA Fundmental Aeronautics Fixed Wing Program; ORAU NASA Postdoctoral Program FX We thank Daniel Baniszewski and Sarah Maclean at the Defense Logistics Agency for the PQIS data. Funding support was provided by NASA Fundmental Aeronautics Fixed Wing Program and the ORAU NASA Postdoctoral Program. NR 31 TC 9 Z9 9 U1 10 U2 24 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0887-0624 EI 1520-5029 J9 ENERG FUEL JI Energy Fuels PD APR PY 2015 VL 29 IS 4 BP 2591 EP 2600 DI 10.1021/ef502618w PG 10 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA CG4JQ UT WOS:000353251800059 ER PT J AU Selim, H Mohamed, SY Lucassen, A Hansen, N Sarathy, SM AF Selim, Hatem Mohamed, Samah Y. Lucassen, Arnas Hansen, Nils Sarathy, S. Mani TI Effect of the Methyl Substitution on the Combustion of Two Methylheptane Isomers: Flame Chemistry Using Vacuum-Ultraviolet (VUV) Photoionization Mass Spectrometry SO ENERGY & FUELS LA English DT Article ID NON-ISOTHERMAL OXIDATION; SHOCK-TUBE MEASUREMENTS; GROUP ADDITIVE VALUES; ADVANCED LIGHT-SOURCE; CROSS-SECTIONS; PHOTOELECTRON-SPECTRA; HYDROCARBON RADICALS; IONIZATION THRESHOLD; CHEMICAL-DYNAMICS; RAPID COMPRESSION AB Alkanes with one or more methyl substitutions are commonly found in liquid transportation fuels, so a fundamental investigation of their combustion chemistry is warranted. In the present work, stoichiometric low-pressure (20 Torr) burner-stabilized flat flames of 2-methylheptane and 3-methylheptane were investigated. Flame species were measured via time-of-flight molecular-beam mass spectrometry, with vacuum-ultraviolet (VUV) synchrotron radiation as the ionization source. Mole fractions of major end-products and intermediate species (e.g., alkanes, alkenes, alkynes, aldehydes, and dienes) were quantified axially above the burner surface. Mole fractions of several free radicals were also measured (e.g., CH3, HCO, C2H3, C3H3, and C3H5). Isomers of different species were identified within the reaction pool by an energy scan between 8 and 12 eV at a distance of 2.5 mm away from the burner surface. The role of methyl substitution location on the alkane chain was determined via comparisons of similar species trends obtained from both flames. The results revealed that the change in CH3 position imposed major differences on the combustion of both fuels. Comparison with numerical simulations was performed for kinetic model testing. The results provide a comprehensive set of data about the combustion of both flames, which can enhance the erudition of both fuels combustion chemistry and also improve their chemical kinetic reaction mechanisms. C1 [Selim, Hatem; Mohamed, Samah Y.; Sarathy, S. Mani] KAUST, Clean Combust Res Ctr, Thuwal, Saudi Arabia. [Lucassen, Arnas; Hansen, Nils] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. RP Selim, H (reprint author), KAUST, Clean Combust Res Ctr, Thuwal, Saudi Arabia. EM hatem.selim@kaust.edu.sa RI Hansen, Nils/G-3572-2012; Sarathy, S. Mani/M-5639-2015; Lucassen, Arnas/G-3803-2013 OI Sarathy, S. Mani/0000-0002-3975-6206; Lucassen, Arnas/0000-0003-2967-2030 FU Clean Combustion Research Center; Saudi Aramco, under the FUELCOM program; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DEAC02-05CH11231]; National Nuclear Security Administration [DE-AC04-94-AL85000] FX The authors acknowledge funding support from the Clean Combustion Research Center and from Saudi Aramco, under the FUELCOM program. The measurements were performed within the "Flame Team" collaboration at the Advanced Light Source (ALS), Lawrence Berkeley National Laboratory, Berkeley, USA, and we thank the students and postdocs for the help with the data acquisition. The experiments at the Advanced Light Source (ALS) have profited from the expert technical assistance of Paul Fugazzi. The ALS is supported by the Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy, under Contract No. DEAC02-05CH11231. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the National Nuclear Security Administration under Contract No. DE-AC04-94-AL85000. NR 72 TC 3 Z9 3 U1 2 U2 27 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0887-0624 EI 1520-5029 J9 ENERG FUEL JI Energy Fuels PD APR PY 2015 VL 29 IS 4 BP 2696 EP 2708 DI 10.1021/ef502797a PG 13 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA CG4JQ UT WOS:000353251800068 ER PT J AU Morgan, GA Xiao, SX AF Morgan, Gregg A. Xiao, S. Xin TI EVALUATION OF HYDROGEN ISOTOPE EXCHANGE METHODOLOGY ON ADSORBENTS FOR TRITIUM REMOVAL SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 10th International Conference on Tritium Science and Technology CY OCT 21-25, 2013 CL Nice Acropolis Congress Ctr, Nice Acropolis, FRANCE SP CEA, Irfm, VILLE DE NICE, Iter, SDEC, Premium Analyse, MBRAUN HO Nice Acropolis Congress Ctr ID ADSORPTION; ISSUES AB The Savannah River National Laboratory has demonstrated a potential process that can be used to remove tritium from tritiated water using Pt-catalyzed molecular sieves. The process is an elemental isotope exchange process in which H-2 (when flowed through the molecular sieves) will exchange with the adsorbed water, D2O, leaving H2O adsorbed on the molecular sieves. Various formulations of catalyzed molecular sieve material were prepared using two different techniques, Pt-implantation and Pt-ion exchange. This technology has been demonstrated for a protium (H) and deuterium (D) system, but can also be used for the removal of tritium from contaminated water (T2O, HTO, and DTO) using D-2 (or H-2). C1 [Morgan, Gregg A.; Xiao, S. Xin] Savannah River Natl Lab, Aiken, SC 29803 USA. EM gregg.morgan@srnl.doe.gov FU U.S. Department of Energy [DEAC09-08SR22470]; United States Government FX The authors would like to thank Leung Heung, Will Hopkins, Steve Xiao, and Greg Staack for their contributions to this work. This manuscript has been authored by Savannah River Nuclear Solutions, LLC under contract No. DEAC09-08SR22470 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting this article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this work, or allow others to do so, for United States Government purposes. NR 14 TC 0 Z9 0 U1 1 U2 2 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 1536-1055 EI 1943-7641 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD APR PY 2015 VL 67 IS 3 BP 487 EP 490 PG 4 WC Nuclear Science & Technology SC Nuclear Science & Technology GA CG5EG UT WOS:000353313300006 ER PT J AU Staack, GC Crowder, ML Klein, JE AF Staack, Gregory C. Crowder, Mark L. Klein, James E. TI THERMAL RELEASE OF He-3 FROM TRITIUM AGED LaNi4.25Al0.75 HYDRIDE SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 10th International Conference on Tritium Science and Technology CY OCT 21-25, 2013 CL Nice Acropolis Congress Ctr, Nice Acropolis, FRANCE SP CEA, Irfm, VILLE DE NICE, Iter, SDEC, Premium Analyse, MBRAUN HO Nice Acropolis Congress Ctr AB Recently, the demand for He-3 has increased dramatically due to widespread use in nuclear nonproliferation, cryogenic, and medical applications. Essentially all of the world's supply of He-3 is created by the radiolytic decay of tritium. The Savannah River Site Tritium Facilities (SRS-TF) utilizes LANA.75 in the tritium process to store hydrogen isotopes. The vast majority of He-3 "born" from tritium stored in LANA.75 is trapped in the hydride metal matrix. The SRS-TF has multiple LANA.75 tritium storage beds that have been retired from service with significant quantities of He-3 trapped in the metal. To support He-3 recovery, the Savannah River National Laboratory (SRNL) conducted thermogravimetric analysis coupled with mass spectrometry (TGA-MS) on a tritium aged LANA.75 sample. TGA-MS testing was performed in an argon environment. Prior to testing, the sample was isotopically exchanged with deuterium to reduce residual tritium and passivated with air to alleviate pyrophoric concerns associated with handling the material outside of an inert glovebox. Analyses indicated that gas release from this sample was bimodal, with peaks near 220 and 490 degrees C. The first peak consisted of both He-3 and residual hydrogen isotopes, the second was primarily He-3. The bulk of the gas was released by 600 degrees C. C1 [Staack, Gregory C.; Crowder, Mark L.; Klein, James E.] Savannah River Natl Lab, Aiken, SC 29808 USA. EM gregory.staack@srnl.doe.gov FU U. S. Department of Energy [DE-AC09-08SR22470] FX This paper was prepared in connection with work performed under Contract No. DE-AC09-08SR22470 with the U. S. Department of Energy. NR 3 TC 0 Z9 0 U1 2 U2 4 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 1536-1055 EI 1943-7641 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD APR PY 2015 VL 67 IS 3 BP 580 EP 583 PG 4 WC Nuclear Science & Technology SC Nuclear Science & Technology GA CG5EG UT WOS:000353313300029 ER PT J AU Wright, JS Torres, RD Peters, B Hope, DT Tovo, LL AF Wright, J. S. Torres, R. D. Peters, B. Hope, D. T. Tovo, L. L. TI IN-LINE CHEMICAL SENSOR DEPLOYMENT IN A TRITIUM PLANT SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 10th International Conference on Tritium Science and Technology CY OCT 21-25, 2013 CL Nice Acropolis Congress Ctr, Nice Acropolis, FRANCE SP CEA, Irfm, VILLE DE NICE, Iter, SDEC, Premium Analyse, MBRAUN HO Nice Acropolis Congress Ctr ID HYDROGEN ISOTOPES AB The Savannah River Tritium Plant (TP) relies on well understood but aging sensor technology for process gas analysis. Although new sensor technologies have been brought to various readiness levels, the TP has been reluctant to install technologies that have not been tested in tritium service. This gap between sensor development and incorporating new technologies into practical applications demonstrates fundamental challenges that exist when transitioning from status quo to state-of-the-art in an extreme environment such as a tritium plant. These challenges stem from three root obstacles: 1) The necessity for a comprehensive assessment of process sensing needs and requirements; 2) The lack of a pick-list of process-compatible sensor technologies; and 3) The need to test sensors in a tritium-contaminated process environment without risking production. At Savannah River, these issues are being addressed in a two phase project. In the first phase, TP sensing requirements were determined by a team of process experts. Meanwhile, Savannah River National Laboratory (SRNL) sensor experts identified candidate technologies and related them to the TP processing requirements. The resulting roadmap links the candidate technologies to actual plant needs. To provide accurate assessments of how a candidate sensor technology would perform in a contaminated process environment, an instrument demonstration station was established within a TP glove box. This station was fabricated to TP process requirements and designed to handle high activity samples. The combination of roadmap and demonstration station provides the following assets: Creates a partnership between the process engineers and researchers for sensor selection, maturation, and insertion Selects the right sensors for process conditions Provides a means for safely inserting new sensor technology into the process without risking production, and Provides a means to evaluate off normal occurrences where and when they occur. This paper discusses the process to identify and demonstrate new sensor technologies for the Savannah River TP. C1 [Wright, J. S.; Hope, D. T.] Savannah River Nucl Solut, Aiken, SC 29803 USA. [Torres, R. D.; Peters, B.; Tovo, L. L.] Savannah River Natl Lab, Aiken, SC USA. EM laura.tovo@srnl.doe.gov FU U.S. Department of Energy [DE-AC09-08SR22470] FX This paper was prepared in connection with work performed under Contract No. DE-AC09-08SR22470 with the U.S. Department of Energy. NR 10 TC 0 Z9 0 U1 1 U2 3 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 1536-1055 EI 1943-7641 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD APR PY 2015 VL 67 IS 3 BP 639 EP 642 PG 4 WC Nuclear Science & Technology SC Nuclear Science & Technology GA CG5EG UT WOS:000353313300044 ER PT J AU Liu, Q Wang, X Rao, NSV AF Liu, Qiang Wang, Xin Rao, Nageswara S. V. TI Fusion of State Estimates Over Long-Haul Sensor Networks With Random Loss and Delay SO IEEE-ACM TRANSACTIONS ON NETWORKING LA English DT Article DE Delay and loss; long-haul sensor networks; online selective fusion; prediction and retrodiction; projected information gain; state estimation ID TRACKING AB In long-haul sensor networks, remote sensors are deployed to cover a large geographical area, such as a continent or the entire globe. Related applications can be found in military surveillance, air traffic control, greenhouse gas emission monitoring, and global cyber attack detection, among others. In this paper, we consider target monitoring and tracking using a long-haul sensor network, wherein the state and covariance estimates are sent from the sensors to a fusion center that generates a fused state estimate. Long-haul communications over submarine fibers and satellite links are subject to long latencies and/or high loss rates, which lead to lost or out-of-order messages. These in turn may significantly degrade the fusion performance: Fusing fewer state estimates may compromise the accuracy of the fused state, whereas waiting for all estimates to arrive may compromise its timeliness. We propose an online selective linear fusion method to fuse the state estimates based on projected information contribution from the pending data. Using both prediction and retrodiction techniques, our scheme enables the fusion center to opportunistically make decisions on when to fuse the estimates, thereby achieving a balance between accuracy and timeliness of the fused state. Simulation results of a target tracking application show that our scheme yields accurate and timely fused estimates under variable communications delay and loss conditions. C1 [Liu, Qiang; Wang, Xin] SUNY Stony Brook, Dept Elect & Comp Engn, Stony Brook, NY 11794 USA. [Rao, Nageswara S. V.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Liu, Q (reprint author), SUNY Stony Brook, Dept Elect & Comp Engn, Stony Brook, NY 11794 USA. EM qiangliu@ece.sunysb.edu; xwang@ece.sunysb.edu; raons@ornl.gov OI Rao, Nageswara/0000-0002-3408-5941 FU Mathematics of Complex, Distributed, Interconnected Systems Program, Office of Advanced Computing Research, U.S. Department of Energy; SensorNet Project of Office of Naval Research; NSF [CNS 1247924, ECCS 1231800] FX This work was supported by the Mathematics of Complex, Distributed, Interconnected Systems Program, Office of Advanced Computing Research, U.S. Department of Energy, and the SensorNet Project of Office of Naval Research, and was performed at Stony Brook University with NSF Awards CNS 1247924 and ECCS 1231800. NR 22 TC 4 Z9 4 U1 3 U2 8 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1063-6692 EI 1558-2566 J9 IEEE ACM T NETWORK JI IEEE-ACM Trans. Netw. PD APR PY 2015 VL 23 IS 2 BP 644 EP 656 DI 10.1109/TNET.2014.2303123 PG 13 WC Computer Science, Hardware & Architecture; Computer Science, Theory & Methods; Engineering, Electrical & Electronic; Telecommunications SC Computer Science; Engineering; Telecommunications GA CG2ZA UT WOS:000353143800023 ER PT J AU Kaita, R Abrams, T Jaworski, M Lucia, M Nichols, JH Skinner, CH Stotler, D Allain, JP Bedoya, F AF Kaita, Robert Abrams, Tyler Jaworski, Michael Lucia, Matthew Nichols, Jacob H. Skinner, Charles H. Stotler, Daren Allain, Jean Paul Bedoya, Felipe TI Addressing the Challenges of Plasma-Surface Interactions in NSTX-U SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article DE Lithium; magnetic confinement; materials science and technology; plasma confinement ID LIQUID LITHIUM DIVERTOR; PERFORMANCE AB The importance of conditioning plasma-facing components (PFCs) has long been recognized as a critical element in obtaining high-performance plasmas in magnetic confinement devices. Lithium coatings, for example, have been used for decades for conditioning PFCs. Since the initial studies on the Tokamak Fusion Test Reactor (TFTR), experiments on devices with different aspect ratios and magnetic geometries like the National Spherical Torus Experiment (NSTX) continue to show the relationship between the lithium PFCs and good confinement and stability. While such results are promising, their empirical nature do not reflect the detailed relationship between the PFCs and the dynamic conditions that occur in the tokamak environment. A first step developing an understanding such complexity will be taken in the upgrade to NSTX, or the National Spherical Torus Experiment-Upgrade (NSTX-U) that is nearing completion. New measurement capabilities include the materials analysis and particle probe for in situ surface analysis of samples exposed to tokamak plasmas. The onion-skin modeling for edge analysis (OEDGE) suite of codes, for example, will be used to model the underlying mechanisms for such material migration in NSTX-U. This will lead to a better understanding of how plasma-facing surfaces evolve during a shot, and how the composition of the plasma-facing surface influences the discharge performance we observe. This paper will provide an overview of these capabilities, and highlight their importance for NSTX-U plans to transition from carbon to high-Z PFCs. C1 [Kaita, Robert; Abrams, Tyler; Jaworski, Michael; Lucia, Matthew; Nichols, Jacob H.; Skinner, Charles H.; Stotler, Daren] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Allain, Jean Paul; Bedoya, Felipe] Univ Illinois, Dept Nucl Plasma & Radiol Engn, Champaign, IL 61820 USA. RP Kaita, R (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. EM kaita@pppl.gov; tabrams@pppl.gov; mjaworski@pppl.gov; mlucia@pppl.gov; jnichols@pppl.gov; cskinner@pppl.gov; dstotler@pppl.gov; allain@illinois.edu; bedoya2@illinois.edu RI Stotler, Daren/J-9494-2015; OI Stotler, Daren/0000-0001-5521-8718; Allain, Jean Paul/0000-0003-1348-262X FU U.S. Department of Energy [DE-AC02-09CH11466, DE-SC0010717]; U.S. Department of Energy Fusion and Energy Sciences Fellowship FX This work was supported by the U.S. Department of Energy under Contract DE-AC02-09CH11466 and Contract DE-SC0010717. The work of T. Abrams was supported by the U.S. Department of Energy Fusion and Energy Sciences Fellowship. NR 29 TC 1 Z9 1 U1 0 U2 9 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0093-3813 EI 1939-9375 J9 IEEE T PLASMA SCI JI IEEE Trans. Plasma Sci. PD APR PY 2015 VL 43 IS 4 SI SI BP 965 EP 971 DI 10.1109/TPS.2014.2385665 PN 1 PG 7 WC Physics, Fluids & Plasmas SC Physics GA CG2OI UT WOS:000353113700007 ER PT J AU Kimball, D Munns, R Fisher, SP Bartolo, M Valdez, J Teat, SJ Tsui, S Reinheimer, EW AF Kimball, Dylan Munns, Raechel Fisher, Steven P. Bartolo, Mark Valdez, Jose Teat, Simon J. Tsui, Stephen Reinheimer, Eric W. TI Utilizing Perylene in New Organic Donor-Acceptor Materials: Highlighting the Synthesis, Structure and Physical Properties of Perylene-pDNB and Perylene-TCNP SO JOURNAL OF CHEMICAL CRYSTALLOGRAPHY LA English DT Article DE Perylene; Organocyanide; Charge transfer; Crystal structure ID CRYSTAL-STRUCTURE; CHARGE-TRANSFER; MOLECULAR CONDUCTORS; MATERIALS DESIGN; COMPLEX; SPECTRA; SEMICONDUCTORS; FAMILY; CONDUCTIVITY; FLUORANIL AB In this communication, we present the syntheses, structure, infrared (IR) spectroscopic, and electronic transport properties for two new Perylene-containing donor-acceptor complexes, Perylene-pDNB (1) and Perylene-TCNP (2). The 2:1 complex with pDNB, complex 1, crystallizes in the triclinic space group with cell dimensions a = 7.7488(12) , b = 9.7125(15) , c = 10.6864(17) , alpha = 80.829(7)A degrees, beta = 84.893(7)A degrees and gamma = 89.495(6)A degrees, while complex 2, the 1:1 complex with TCNP, crystallizes in the orthorhombic space group Cmca with a = 18.264(4) , b = 7.405(2) and c = 14.674(3) . Structural features of the constituent donor and acceptor molecules were compared to those for the free components and, when coupled with IR spectroscopic measurements, suggested that both complexes contained neutral components. This conclusion was further supported by electronic transport measurements that revealed both complexes to be insulators. Herein we present the structure and both the IR spectroscopic and transport properties for new donor-acceptor complexes coupling Perylene with the acceptors para-dinitrobenzene (pDNB) and tetracyanopyrazine (TCNP). [GRAPHICS] . C1 [Kimball, Dylan; Munns, Raechel; Fisher, Steven P.; Valdez, Jose; Reinheimer, Eric W.] Calif State Univ San Marcos, Dept Chem & Biochem, San Marcos, CA 92096 USA. [Kimball, Dylan; Munns, Raechel; Fisher, Steven P.; Valdez, Jose; Reinheimer, Eric W.] Calif State Univ San Marcos, WM Keck Fdn Ctr Mol Struct, San Marcos, CA 92096 USA. [Bartolo, Mark; Tsui, Stephen] Calif State Univ San Marcos, Dept Phys, San Marcos, CA 92096 USA. [Teat, Simon J.] Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Reinheimer, EW (reprint author), Calif State Univ San Marcos, Dept Chem & Biochem, 333 S Twin Oaks Valley Rd, San Marcos, CA 92096 USA. EM stsui@csusm.edu; eric.reinheimer@gmail.com FU California State University San Marcos; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231] FX The authors would like to acknowledge California State University San Marcos for the funds necessary to purchase the Rigaku SCXMini X-ray diffractometer. The authors also wish to acknowledge Professor Joel Miller for his generous gift of TCNP. 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. NR 52 TC 0 Z9 0 U1 3 U2 9 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1074-1542 EI 1572-8854 J9 J CHEM CRYSTALLOGR JI J. Chem. Crystallogr. PD APR PY 2015 VL 45 IS 4 BP 169 EP 177 DI 10.1007/s10870-015-0575-1 PG 9 WC Crystallography; Spectroscopy SC Crystallography; Spectroscopy GA CG1QB UT WOS:000353047100002 ER PT J AU Zhong, L Truex, MJ Kananizadeh, N Li, Y Lea, AS Yan, X AF Zhong, L. Truex, M. J. Kananizadeh, N. Li, Y. Lea, A. S. Yan, X. TI Delivery of vegetable oil suspensions in a shear thinning fluid for enhanced bioremediation SO JOURNAL OF CONTAMINANT HYDROLOGY LA English DT Article DE Subsurface delivery; Vegetable oil; Shear thinning fluid; Bioremediation; Amendment ID ZERO-VALENT IRON; REMEDIAL AMENDMENT DELIVERY; LOW PERMEABLE ZONES; POROUS-MEDIA; XANTHAN GUM; EDIBLE OIL; MODEL DEVELOPMENT; STABLE EMULSIONS; ANAEROBIC BIOREMEDIATION; CONTAMINATED SOILS AB In situ anaerobic biological processes are widely applied for dechlorination of chlorinated solvents in groundwater. A wide range of organic substrates have been tested and applied to support the dechlorination processes. Vegetable oils are a promising type of substrate and have been shown to induce effective dechlorination, have limited geochemical impacts, and maintain good longevity. Because they are non-aqueous phase liquids, distribution of vegetable oils in the subsurface has typically been approached by creating emulsified oil solutions for injection into the aquifer. In this study, inexpensive waste vegetable oils were suspended in a shear-thinning xanthan gum solution as an alternative approach for delivery of vegetable oil to the subsurface. The stability, oil droplet size distribution, and rheological behavior of the oil suspensions that are created in the xanthan solutions were studied in batch experiments. The injectability of the suspensions and the oil distribution in a porous medium were evaluated in column tests. Numerical modeling of oil droplet transport and distribution in porous media was conducted to help interpret the column-test data. Batch studies showed that simple mixing of vegetable oil with xanthan solution produced stable suspensions of the oil as micron-size droplets. The mixture rheology retains shear-thinning properties that facilitate improved uniformity of substrate distribution in heterogeneous aquifers, Column tests demonstrated successful injection of the vegetable oil suspension into a porous medium. This study provides evidence that vegetable oil suspensions in xanthan gum solutions have favorable injection properties and area potential substrate for in situ anaerobic bioremediation. Published by Elsevier B.V. C1 [Zhong, L.; Truex, M. J.] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA. [Kananizadeh, N.; Li, Y.] Univ Nebraska, Civil & Environm Engn Dept, Lincoln, NE USA. [Lea, A. S.] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. [Yan, X.] Chinese Acad Sci, Inst Geog Sci & Nat Resources Res, Beijing, Peoples R China. RP Zhong, L (reprint author), Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA. EM lirong.zhong@pnnl.gov OI Lea, Alan/0000-0002-4232-1553 FU Joint Base Lewis McChord; U.S. Department of Defense (DoD) Environmental Security Technology Certification Program (ESTCP) [ER-200913]; U.S. DOE [DE-AC06-76RLO 1830]; National Science Foundation [CBET-1033502] FX Funding of this research was provided by Joint Base Lewis McChord and by the U.S. Department of Defense (DoD) Environmental Security Technology Certification Program (ESTCP), Award No. ER-200913. The Pacific Northwest National Laboratory is operated by Battelle for the U.S. DOE under Contract DE-AC06-76RLO 1830. The work at the University of Nebraska-Lincoln was supported by National Science Foundation Award No. CBET-1033502. NR 62 TC 0 Z9 0 U1 4 U2 18 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0169-7722 EI 1873-6009 J9 J CONTAM HYDROL JI J. Contam. Hydrol. PD APR-MAY PY 2015 VL 175 BP 17 EP 25 DI 10.1016/j.jconhyd.2015.02.001 PG 9 WC Environmental Sciences; Geosciences, Multidisciplinary; Water Resources SC Environmental Sciences & Ecology; Geology; Water Resources GA CG1CF UT WOS:000353009900002 PM 25720668 ER PT J AU Dittrich, TM Reimus, PW AF Dittrich, T. M. Reimus, P. W. TI Uranium transport in a crushed granodiorite: Experiments and reactive transport modeling SO JOURNAL OF CONTAMINANT HYDROLOGY LA English DT Article DE Uranium; Granodiorite; Reactive transport; Desorption; Column experiments ID GRIMSEL TEST-SITE; RADIONUCLIDE MIGRATION; CONTAMINATED SEDIMENTS; BENTONITE COLLOIDS; WASTE DISPOSAL; FRACTURED ROCK; SORPTION; KINETICS; ADSORPTION; URANYL AB The primary objective of this study was to develop and demonstrate an experimental method to refine and better parameterize process models for reactive contaminant transport in aqueous subsurface environments and to reduce conservatism in such models without attempting to fully describe the geochemical system. Uranium was used as an example of a moderately adsorbing contaminant because of its relevance in geologic disposal of spent nuclear fuel. A fractured granodiorite from the Grimsel Test Site (GTS) in Switzerland was selected because this system has been studied extensively and field experiments have been conducted with radionuclides including uranium. We evaluated the role of pH, porous media size fraction, and flow interruptions on uranium transport. Rock cores drilled from the GTS were shipped to Los Alamos National Laboratory, characterized by x-ray diffraction and optical microscopy, and used in uranium batch sorption and column breakthrough experiments. A synthetic water was prepared that represented the porewater that would be present after groundwater interacts with bentonite backfill material near a nuclear waste package. Uranium was conservatively transported at pH 8.8. Significant adsorption and subsequent desorption was observed at pH similar to 7, with long desorption tails resulting after switching the column injection solution to uranium-free groundwater. Our experiments were designed to better interrogate this slow desorption behavior. A three-site model predicted sorption rate constants for a pH 72 solution with a 75-150 pm granodiorite fraction to be 3.5, 0.012, and 0.012 mL/g-h for the forward reactions and 0.49, 0.0025, and 0.001 h(-1) for the reverse reactions. Surface site densities were 13, 0.042, and 0.042 mu mol/g for the first, second, and third sites, respectively. 10-year simulations show that including a slow binding site increases the arrival time of a uranium pulse by similar to 70%. (C) 2015 Elsevier B.V. All rights reserved. C1 [Dittrich, T. M.; Reimus, P. W.] Los Alamos Natl Lab, Earth & Environm Sci Div, Los Alamos, NM 87545 USA. RP Dittrich, TM (reprint author), Los Alamos Natl Lab, POB 1663,Mail Stop J966, Los Alamos, NM 87545 USA. EM timdittrich@lanl.gov RI Dittrich, Timothy/H-1724-2015 OI Dittrich, Timothy/0000-0003-3019-6780 FU U.S. DOE Nuclear Energy Office, Fuel Cycle R&D Program, Used Fuel Disposition Campaign FX The authors would like to thank Doug Ware for his assistance with experimental setup, liquid scintillation counting protocols, sample analysis, and microphotograph imagery. Michael Cheshire and Hongwu Xu conducted the quantitative x-ray diffraction analyses of the Grimsel materials. Emily Kluk conducted the x-ray fluorescence analyses of the Grimsel materials. Cindy Dean provided the PHREEQC calculations reported in Table 4. We also thank Ingo Blechschmidt of the Swiss Nuclear Waste Cooperative, NAGRA, for providing the granodiorite and FFM materials. This work was supported by the U.S. DOE Nuclear Energy Office, Fuel Cycle R&D Program, Used Fuel Disposition Campaign, which is administered by Sandia National Laboratories. The authors greatly appreciate the valuable comments provided by two anonymous reviewers. NR 47 TC 4 Z9 4 U1 8 U2 48 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0169-7722 EI 1873-6009 J9 J CONTAM HYDROL JI J. Contam. Hydrol. PD APR-MAY PY 2015 VL 175 BP 44 EP 59 DI 10.1016/j.jconhyd.2015.02.004 PG 16 WC Environmental Sciences; Geosciences, Multidisciplinary; Water Resources SC Environmental Sciences & Ecology; Geology; Water Resources GA CG1CF UT WOS:000353009900004 PM 25727688 ER PT J AU Kelley, SE Briner, JP Zimmerman, SRH AF Kelley, Samuel E. Briner, Jason P. Zimmerman, Susan R. H. TI The influence of ice marginal setting on early Holocene retreat rates in central West Greenland SO JOURNAL OF QUATERNARY SCIENCE LA English DT Article DE Be-10 exposure dating; Greenland Ice Sheet; Holocene ID RELATIVE SEA-LEVEL; LAST GLACIAL CYCLE; DISKO-BUGT; SOUTHEAST GREENLAND; JAKOBSHAVN ISBRAE; OUTLET GLACIERS; STREAM SYSTEM; SHEET; CLIMATE; HISTORY AB Ice sheet reconstructions from diverse ice margin settings, spanning multiple millennia, are needed to assess the reaction of the Greenland Ice Sheet (GrIS) to millennial-scale climatic forcing and to place historical records in a longer-term context. Here we present 18 new cosmogenic Be-10 exposure ages and five new radiocarbon ages that constrain the early Holocene retreat of the GrIS in the Disko Bugt region in both a marine and a land-based setting. Results indicate similar rates of early Holocene retreat of approximate to 40-50m a(-1) from transects in Torsukattak fjord (marine setting) and the Naternaq area (land-based setting). We compile seven previously published chronologies of deglaciation from West Greenland, which yield early Holocene retreat rates ranging from 10 to 65m a(-1), similar to those determined for our two study areas. This work demonstrates that when averaged on millennial timescales, retreat rates were remarkably similar along the western GrIS margin. Furthermore, the retreat rates calculated here demonstrate that terrestrial sectors of ice sheets can retreat at net rates comparable to their marine counterparts. C1 [Kelley, Samuel E.; Briner, Jason P.] SUNY Buffalo, Geol Dept, Buffalo, NY 14260 USA. [Kelley, Samuel E.] Univ Waterloo, Earth & Environm Sci, Waterloo, ON N2L 3G1, Canada. [Zimmerman, Susan R. H.] Lawrence Livermore Natl Lab, Ctr AMS, Livermore, CA USA. RP Kelley, SE (reprint author), Univ Waterloo, Earth & Environm Sci, 200 Univ Ave W, Waterloo, ON N2L 3G1, Canada. EM samuel.kelley@uwaterloo.ca FU US National Science Foundation Program of Geography and Spatial Science [NSF-1156361] FX We are grateful for laboratory assistance from Sylvia Choi and Matt McClellan, and field assistance from Sandra Cronauer. We thank Nicolaj Larsen and an anonymous reviewer for comments that improved the manuscript. This research was funded by grant NSF-1156361 from the US National Science Foundation Program of Geography and Spatial Science. This is LLNL-JRNL-665782 NR 65 TC 5 Z9 5 U1 4 U2 7 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0267-8179 EI 1099-1417 J9 J QUATERNARY SCI JI J. Quat. Sci. PD APR PY 2015 VL 30 IS 3 BP 271 EP 280 DI 10.1002/jqs.2778 PG 10 WC Geography, Physical; Geosciences, Multidisciplinary SC Physical Geography; Geology GA CG6IS UT WOS:000353403800008 ER PT J AU Kiss, AM Harris, WM Nakajo, A Wang, S Vila-Comamala, J Deriy, A Chiu, WKS AF Kiss, Andrew M. Harris, William M. Nakajo, Arata Wang, Steve Vila-Comamala, Joan Deriy, Alex Chiu, Wilson K. S. TI In Situ Heater Design for Nanoscale Synchrotron-Based Full-Field Transmission X-Ray Microscopy SO MICROSCOPY AND MICROANALYSIS LA English DT Article DE transmission X-ray microscopy; in situ; nickel oxidation ID FUEL-CELL ANODES; SOFC ANODES; TRANSPORT PROCESSES; OXIDATION; NICKEL; REDUCTION; NI; TEMPERATURE; KINETICS; EDGE AB The oxidation of nickel powder under a controlled gas and temperature environment was studied using synchrotron-based full-field transmission X-ray microscopy. The use of this technique allowed for the reaction to be imaged in situ at 55 nm resolution. The setup was designed to fit in the limited working distance of the microscope and to provide the gas and temperature environments analogous to solid oxide fuel cell operating conditions. Chemical conversion from nickel to nickel oxide was confirmed using X-ray absorption near-edge structure. Using an unreacted core model, the reaction rate as a function of temperature and activation energy were calculated. This method can be applied to study many other chemical reactions requiring similar environmental conditions. C1 [Kiss, Andrew M.; Harris, William M.; Nakajo, Arata; Chiu, Wilson K. S.] Univ Connecticut, Dept Mech Engn, Storrs, CT 06269 USA. [Wang, Steve; Vila-Comamala, Joan; Deriy, Alex] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Chiu, WKS (reprint author), Univ Connecticut, Dept Mech Engn, Storrs, CT 06269 USA. EM wchiu@engr.uconn.edu RI Vila-Comamala, Joan/E-2106-2017; OI Kiss, Andrew/0000-0002-8515-5508 FU National Science Foundation [CBET-1134052]; Energy Frontier Research Center on Science-Based Nano-Structure Design and Synthesis of Heterogeneous Functional Materials for Energy Systems (HeteroFoaM Center) by US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0001061]; US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX Financial support from the National Science Foundation (Award CBET-1134052) and an Energy Frontier Research Center on Science-Based Nano-Structure Design and Synthesis of Heterogeneous Functional Materials for Energy Systems (HeteroFoaM Center) funded by the US Department of Energy, Office of Science, Office of Basic Energy Sciences (Award DE-SC0001061) are gratefully acknowledged. Portions of this research were carried out at the Advanced Photon Source supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, under contract No. DE-AC02-06CH11357. NR 33 TC 2 Z9 2 U1 1 U2 10 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 1431-9276 EI 1435-8115 J9 MICROSC MICROANAL JI Microsc. microanal. PD APR PY 2015 VL 21 IS 2 BP 290 EP 297 DI 10.1017/S1431927615000021 PG 8 WC Materials Science, Multidisciplinary; Microscopy SC Materials Science; Microscopy GA CG7VT UT WOS:000353514700002 PM 25740406 ER PT J AU Hovden, R Jiang, Y Xin, HLL Kourkoutis, LF AF Hovden, Robert Jiang, Yi Xin, Huolin L. Kourkoutis, Lena F. TI Periodic Artifact Reduction in Fourier Transforms of Full Field Atomic Resolution Images SO MICROSCOPY AND MICROANALYSIS LA English DT Article DE STEM; Fourier transform; data processing; atomic imaging; diffraction; aberration correction ID TRANSMISSION ELECTRON-MICROSCOPY; DRIFT; STEM AB The discrete Fourier transform is among the most routine tools used in high-resolution scanning/transmission electron microscopy (S/TEM). However, when calculating a Fourier transform, periodic boundary conditions are imposed and sharp discontinuities between the edges of an image cause a cross patterned artifact along the reciprocal space axes. This artifact can interfere with the analysis of reciprocal lattice peaks of an atomic resolution image. Here we demonstrate that the recently developed Periodic Plus Smooth Decomposition technique provides a simple, efficient method for reliable removal of artifacts caused by edge discontinuities. In this method, edge artifacts are reduced by subtracting a smooth background that solves Poisson's equation with boundary conditions set by the image's edges. Unlike the traditional windowed Fourier transforms, Periodic Plus Smooth Decomposition maintains sharp reciprocal lattice peaks from the image's entire field of view. C1 [Hovden, Robert; Kourkoutis, Lena F.] Cornell Univ, Sch Appl & Engn Phys, Ithaca, NY 14853 USA. [Jiang, Yi] Cornell Univ, Dept Phys, Ithaca, NY 14853 USA. [Xin, Huolin L.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. [Kourkoutis, Lena F.] Kavli Inst Cornell Nanoscale Sci, Ithaca, NY 14853 USA. RP Hovden, R (reprint author), Cornell Univ, Sch Appl & Engn Phys, Ithaca, NY 14853 USA. EM rmh244@cornell.edu RI Xin, Huolin/E-2747-2010; OI Xin, Huolin/0000-0002-6521-868X; Kourkoutis, Lena/0000-0002-1303-1362 FU Cornell Center for Materials Research; NSF MRSEC program [DMR-1120296]; Center for Functional Nanomaterials, Brookhaven National Laboratory - U.S. DOE, Office of Basic Energy Sciences [DE-AC02-98CH10886]; DOE grant [DE-FG02-11ER16210] FX This work was supported in part by the Cornell Center for Materials Research with funding from the NSF MRSEC program (DMR-1120296). H.L.X. is supported by the Center for Functional Nanomaterials, Brookhaven National Laboratory, which is supported by the U.S. DOE, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. Y.J. is supported by DOE grant DE-FG02-11ER16210. The authors thank T. Higuchi, H. Y. Hwang at Stanford University for providing the sample used in Figure 3. NR 22 TC 0 Z9 0 U1 2 U2 16 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 1431-9276 EI 1435-8115 J9 MICROSC MICROANAL JI Microsc. microanal. PD APR PY 2015 VL 21 IS 2 BP 436 EP 441 DI 10.1017/S1431927614014639 PG 6 WC Materials Science, Multidisciplinary; Microscopy SC Materials Science; Microscopy GA CG7VT UT WOS:000353514700017 PM 25597865 ER PT J AU Gorelik, TE Schmidt, MU Kolb, U Billinge, SJL AF Gorelik, Tatiana E. Schmidt, Martin U. Kolb, Ute Billinge, Simon J. L. TI Total-Scattering Pair-Distribution Function of Organic Material from Powder Electron Diffraction Data SO MICROSCOPY AND MICROANALYSIS LA English DT Article DE pair-distribution function; electron diffraction; total scattering; nanocrystalline materials ID X-RAY-DIFFRACTION; NANOCRYSTALLINE THIN-FILMS; CRYSTAL-STRUCTURE ANALYSIS; AB-INITIO DETERMINATION; AMORPHOUS MATERIALS; STRUCTURAL-CHARACTERIZATION; RIETVELD ANALYSIS; ATOMIC-STRUCTURE; PHASE FRACTIONS; PART II AB This paper shows that pair-distribution function (PDF) analyses can be carried out on organic and organometallic compounds from powder electron diffraction data. Different experimental setups are demonstrated, including selected area electron diffraction and nanodiffraction in transmission electron microscopy or nanodiffraction in scanning transmission electron microscopy modes. The methods were demonstrated on organometallic complexes (chlorinated and unchlorinated copper phthalocyanine) and on purely organic compounds (quinacridone). The PDF curves from powder electron diffraction data, called ePDF, are in good agreement with PDF curves determined from X-ray powder data demonstrating that the problems of obtaining kinematical scattering data and avoiding beam damage of the sample are possible to resolve. C1 [Gorelik, Tatiana E.; Kolb, Ute] Johannes Gutenberg Univ Mainz, Inst Phys Chem, D-55128 Mainz, Germany. [Schmidt, Martin U.] Goethe Univ Frankfurt, Inst Inorgan & Analyt Chem, D-60438 Frankfurt, Germany. [Kolb, Ute] Tech Univ Darmstadt, Inst Appl Geosci, D-64287 Darmstadt, Germany. [Billinge, Simon J. L.] Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA. [Billinge, Simon J. L.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. RP Gorelik, TE (reprint author), Johannes Gutenberg Univ Mainz, Inst Phys Chem, Jakob Welder Weg 11, D-55128 Mainz, Germany. EM gorelik@uni-mainz.de; kolb@uni-mainz.de RI Kolb, Ute/A-2642-2011; Mainz, EMZ-M/E-3619-2016; Fachbereich14, Dekanat/C-8553-2015 FU Laboratory Directed Research and Developmentogram at the Brookhaven National Laboratory [12-007]; DFG [Schwerpunktprogramm 1415]; [Sonderforschungsbereich 625] FX The authors thank Clariant GmbH (Frankfurt) for providing the industrial samples and Dr. Lothar Fink and Edith Alig (Goethe University, Frankfurt) for X-ray powder diffraction measurements. Work in the Billinge group was supported by Laboratory Directed Research and Developmentogram 12-007 (Complex Modeling) at the Brookhaven National Laboratory. Finally, the authors would like to thank Sonderforschungsbereich 625 (Mainz) and DFG-Schwerpunktprogramm 1415 for financial support. NR 81 TC 3 Z9 3 U1 5 U2 38 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 1431-9276 EI 1435-8115 J9 MICROSC MICROANAL JI Microsc. microanal. PD APR PY 2015 VL 21 IS 2 BP 459 EP 471 DI 10.1017/S1431927614014561 PG 13 WC Materials Science, Multidisciplinary; Microscopy SC Materials Science; Microscopy GA CG7VT UT WOS:000353514700019 PM 25510245 ER PT J AU Sachan, R Malasi, A Yadavali, S Griffey, B Dunlap, J Duscher, G Kalyanaraman, R AF Sachan, Ritesh Malasi, Abhinav Yadavali, Sagar Griffey, Blake Dunlap, John Duscher, Gerd Kalyanaraman, Ramki TI Laser-Induced Self-Assembled Nanostructures on Electron-Transparent Substrates SO PARTICLE & PARTICLE SYSTEMS CHARACTERIZATION LA English DT Article ID SURFACE-PLASMON RESONANCE; NANOPARTICLES; DEVICES; FILMS AB Currently, one of the challenges in high-resolution transmission electron microscopy (TEM) studies of nanomaterials is to make contamination-free materials in a simple and time-efficient way. Here, a method is demonstrated that combines nanosecond-pulsed laser dewetting of thin films with a film float-off technique to realize nanostructures (NSs) on electron-transparent substrates in a robust and rapid manner. NSs of metal (Ag) and bimetals (AgCo, AuCo) ranging from 20 to 150 nm are synthesized on thin carbon film deposited on mica substrates. The NS/carbon system is subsequently transferred onto TEM grids by a float-off process resulting from debonding of the carbon from mica due to their contrasting hydrophobic nature. This process enables the fabrication of different NSs on flexible and electron-transparent substrates. C1 [Sachan, Ritesh; Duscher, Gerd] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Malasi, Abhinav; Yadavali, Sagar; Kalyanaraman, Ramki] Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA. [Griffey, Blake; Duscher, Gerd; Kalyanaraman, Ramki] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Dunlap, John] Univ Tennessee, Dept Biol, Knoxville, TN 37996 USA. RP Sachan, R (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. EM sachanr@ornl.gov RI Malasi, Abhinav/J-6025-2015; Duscher, Gerd/G-1730-2014 OI Duscher, Gerd/0000-0002-2039-548X FU Army Research Office through ARO [W911NF-13- 1-0428]; NSF [ECCS-0850574, EAGER CBET-1349507]; Scientific User Facilities Division, Office of Basic Energy Sciences, US. Department of Energy [CNMS2013-284] FX The authors acknowledge the support by the Army Research Office through ARO grant W911NF-13- 1-0428 and by the NSF through grants ECCS-0850574 and EAGER CBET-1349507. For the synthesis and characterization techniques used in the present study, the authors thank the Sustainable Energy Education and Research Center (SEERC), the Joint Institute of Advanced Materials (JIAM) at University of Tennessee-Knoxville (UTK) and CNMS2013-284 at the Center for Nanophase Materials Science, which is sponsored at ORNL by the Scientific User Facilities Division, Office of Basic Energy Sciences, US. Department of Energy. NR 32 TC 3 Z9 3 U1 2 U2 8 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 0934-0866 EI 1521-4117 J9 PART PART SYST CHAR JI Part. Part. Syst. Charact. PD APR PY 2015 VL 32 IS 4 BP 476 EP 482 DI 10.1002/ppsc.201400183 PG 7 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA CG1RR UT WOS:000353051900009 ER PT J AU Moseley, MW Allerman, AA Crawford, MH Wierer, JJ Smith, ML Biedermann, LB AF Moseley, Michael W. Allerman, Andrew A. Crawford, Mary H. Wierer, Jonathan J., Jr. Smith, Michael L. Biedermann, Laura B. TI Defect-enabled electrical current leakage in ultraviolet light-emitting diodes SO PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE LA English DT Article DE AlGaN; leakage; MOCVD; nanopipe ID THREADING DISLOCATIONS; GAN; ALGAN; DENSITY; SYSTEM; ACID AB Electrical current leakage paths in AlGaN-based ultraviolet (UV) light-emitting diodes (LEDs) are identified using conductive atomic force microscopy. Open-core threading dislocations are found to conduct current through insulating Al0.7Ga0.3N layers. A defect-sensitive H3PO4 etch reveals these open-core threading dislocations as 1-2 mu m wide hexagonal etch pits visible with optical microscopy. Additionally, closed-core threading dislocations are decorated with smaller and more numerous nanometer-scale pits, which are quantifiable by atomic-force microscopy. The performances of UV-LEDs fabricated on similar Si-doped Al0.7Ga0.3N templates are found to have a strong correlation to the density of these electrically conductive open-core dislocations, while the total threading dislocation densities of the UV-LEDs remain relatively unchanged. C1 [Moseley, Michael W.; Allerman, Andrew A.; Crawford, Mary H.; Wierer, Jonathan J., Jr.; Smith, Michael L.; Biedermann, Laura B.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Moseley, MW (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM mwmosel@sandia.gov RI Wierer, Jonathan/G-1594-2013 OI Wierer, Jonathan/0000-0001-6971-4835 FU United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the United States Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 23 TC 3 Z9 3 U1 0 U2 25 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1862-6300 EI 1862-6319 J9 PHYS STATUS SOLIDI A JI Phys. Status Solidi A-Appl. Mat. PD APR PY 2015 VL 212 IS 4 BP 723 EP 726 DI 10.1002/pssa.201400182 PG 4 WC Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Materials Science; Physics GA CF8NZ UT WOS:000352820100002 ER PT J AU McCormac, K Byrd, I Brannen, R Seymour, B Li, JL Wu, J AF McCormac, Kathleen Byrd, Ian Brannen, Rodney Seymour, Bryan Li, Jianlin Wu, Ji TI Preparation of porous Si and TiO2 nanofibres using a sulphur-templating method for lithium storage SO PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE LA English DT Article DE lithium storage; nanofibres; porous materials; silicon; titania ID ION BATTERY ANODES; COMPOSITE NANOFIBERS; NANOSTRUCTURES AB Highly porous Si/TiO2 composite nanofibres were prepared using a unique sulphur-templating method combined with electrospinning. The structure, morphology, surface area, phase and composition of these nanofibres were characterized using Raman spectroscopy, scanning electron microscopy, powder X-ray diffraction, surface area analyser and thermogravimetric analyser. The specific surface area of Si/TiO2 porous NFs is as large as 387m(2)g(-1), whose silicon capacity can be maintained above 1580mAhg(-1) in 180 cycles. C1 [McCormac, Kathleen; Byrd, Ian; Brannen, Rodney; Seymour, Bryan; Wu, Ji] Georgia So Univ, Dept Chem, Statesboro, GA 30460 USA. [Li, Jianlin] Oak Ridge Natl Lab, Energy & Transportat Sci Div, Oak Ridge, TN 37831 USA. RP Li, JL (reprint author), Oak Ridge Natl Lab, Energy & Transportat Sci Div, Oak Ridge, TN 37831 USA. EM lij4@ornl.gov; jwu@georgiasouthern.edu RI WU, JI/J-4580-2016 FU Georgia Southern University FX JW sincerely acknowledges the Funding provided by Georgia Southern University. KM deeply appreciates the financial support from Georgia Southern University for her Master's program. We thank Dr. Cliff Padgett for his help and use of the XRD at Armstrong State University in Savannah, Georgia and Prof. Quirino for the use of Raman spectroscopy. NR 22 TC 6 Z9 6 U1 8 U2 58 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1862-6300 EI 1862-6319 J9 PHYS STATUS SOLIDI A JI Phys. Status Solidi A-Appl. Mat. PD APR PY 2015 VL 212 IS 4 BP 877 EP 881 DI 10.1002/pssa.201431834 PG 5 WC Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Materials Science; Physics GA CF8NZ UT WOS:000352820100026 ER PT J AU Zhao, Q Zeng, YN Yin, YB Pu, YQ Jackson, LA Engle, NL Martin, MZ Tschaplinski, TJ Ding, SY Ragauskas, AJ Dixon, RA AF Zhao, Qiao Zeng, Yining Yin, Yanbin Pu, Yunqiao Jackson, Lisa A. Engle, Nancy L. Martin, Madhavi Z. Tschaplinski, Timothy J. Ding, Shi-You Ragauskas, Arthur J. Dixon, Richard A. TI Pinoresinol reductase 1 impacts lignin distribution during secondary cell wall biosynthesis in Arabidopsis SO PHYTOCHEMISTRY LA English DT Article DE Lignan; Lignin; Interfascicular fiber; Mutant; Stimulated Raman scattering microscopy ID CELLULOLYTIC ENZYME LIGNIN; LINUM-USITATISSIMUM SEEDS; MILLED WOOD LIGNIN; GENE-EXPRESSION; TRANSCRIPTION FACTOR; LARICIRESINOL REDUCTASES; MEDICAGO-TRUNCATULA; LIGNANS; ACCUMULATION; STEMS AB Pinoresinol reductase (PrR) catalyzes the conversion of the lignan (-)-pinoresinol to (-)-lariciresinol in Arabidopsis thaliana, where it is encoded by two genes, PrR1 and PrR2, that appear to act redundantly. PrR1 is highly expressed in lignified inflorescence stem tissue, whereas PrR2 expression is barely detectable in stems. Co-expression analysis has indicated that PrR1 is co-expressed with many characterized genes involved in secondary cell wall biosynthesis, whereas PrR2 expression clusters with a different set of genes. The promoter of the PrR1 gene is regulated by the secondary cell wall related transcription factors SND1 and MYB46. The loss-of-function mutant of PrR1 shows, in addition to elevated levels of pinoresinol, significantly decreased lignin content and a slightly altered lignin structure with lower abundance of cinnamyl alcohol end groups. Stimulated Raman scattering (SRS) microscopy analysis indicated that the lignin content of the prrl-1 loss-of-function mutant is similar to that of wild-type plants in xylem cells, which exhibit a normal phenotype, but is reduced in the fiber cells. Together, these data suggest an association of the lignan biosynthetic enzyme encoded by PrR1 with secondary cell wall biosynthesis in fiber cells. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Zhao, Qiao; Jackson, Lisa A.; Dixon, Richard A.] Samuel Roberts Noble Fdn Inc, Div Plant Biol, Ardmore, OK 73401 USA. [Zeng, Yining; Ding, Shi-You] Natl Renewable Energy Lab, Biosci Ctr, Golden, CO 80401 USA. [Yin, Yanbin] No Illinois Univ, Dept Biol Sci, De Kalb, IL 60115 USA. [Pu, Yunqiao; Ragauskas, Arthur J.] Georgia Inst Technol, Inst Paper Sci & Technol, Atlanta, GA 30332 USA. [Zeng, Yining; Pu, Yunqiao; Jackson, Lisa A.; Engle, Nancy L.; Martin, Madhavi Z.; Tschaplinski, Timothy J.; Ding, Shi-You; Ragauskas, Arthur J.; Dixon, Richard A.] Oak Ridge Natl Lab, BESC, Oak Ridge, TN 37831 USA. [Engle, Nancy L.; Martin, Madhavi Z.; Tschaplinski, Timothy J.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. [Dixon, Richard A.] Univ N Texas, Dept Biol Sci, Denton, TX 76203 USA. RP Dixon, RA (reprint author), Univ N Texas, Dept Biol Sci, 1155 Union Circle 305220, Denton, TX 76203 USA. EM Richard.Dixon@unt.edu RI Yin, Yanbin/C-9788-2010; Pu, Yunqiao/H-3206-2016; OI Yin, Yanbin/0000-0001-7667-881X; Pu, Yunqiao/0000-0003-2554-1447; Tschaplinski, Timothy/0000-0002-9540-6622; Martin, Madhavi/0000-0002-6677-2180; Engle, Nancy/0000-0003-0290-7987; Ragauskas, Arthur/0000-0002-3536-554X FU Samuel Roberts Noble Foundation (OKlahoma, United States); BioEnergy Science Center, a U.S. Department of Energy Bioenergy Research Center - Office of Biological and Environmental Research in the DOE Office of Science; U.S. Government [DE-AC05-00OR22725] FX This paper is dedicated to the memory of G. Paul Bolwell. We thank Dr. Yuhong Tang for assistance with DNA microarray analysis. This work was supported by the Samuel Roberts Noble Foundation (OKlahoma, United States) and the BioEnergy Science Center, a U.S. Department of Energy Bioenergy Research Center supported by the Office of Biological and Environmental Research in the DOE Office of Science. This manuscript has been authored by a contractor of the U.S. Government under contract DE-AC05-00OR22725. NR 41 TC 1 Z9 1 U1 4 U2 38 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0031-9422 J9 PHYTOCHEMISTRY JI Phytochemistry PD APR PY 2015 VL 112 BP 170 EP 178 DI 10.1016/j.phytochem.2014.07.008 PG 9 WC Biochemistry & Molecular Biology; Plant Sciences SC Biochemistry & Molecular Biology; Plant Sciences GA CG2GU UT WOS:000353093700019 PM 25107662 ER PT J AU Brooks, AL AF Brooks, Antone L. TI A Commentary on: "A History of the United States Department of Energy (DOE) Low Dose Radiation Research Program: 1998-2008'' SO RADIATION RESEARCH LA English DT Editorial Material ID IONIZING-RADIATION; RISK; INDUCTION; RESPONSES; BIOLOGY; CELLS; MODEL; MICROBEAM; CANCER AB This commentary provides a very brief overview of the book "A History of the United States Department of Energy (DOE) Low Dose Radiation Research Program: 1998-2008'' (http://lowdose.energy.gov). The book summarizes and evaluates the research progress, publications and impact of the U.S. Department of Energy Low Dose Radiation Research Program over its first 10 years. The purpose of this book was to summarize the impact of the program's research on the current thinking and low-dose paradigms associated with the radiation biology field and to help stimulate research on the potential adverse and/or protective health effects of low doses of ionizing radiation. In addition, this book provides a summary of the data generated in the low dose program and a scientific background for anyone interested in conducting future research on the effects of low-dose or low-dose-rate radiation exposure. This book's exhaustive list of publications coupled with discussions of major observations should provide a significant resource for future research in the low-dose and dose-rate region. However, because of space limitations, only a limited number of critical references are mentioned. Finally, this history book provides a list of major advancements that were accomplished by the program in the field of radiation biology, and these bulleted highlights can be found in last part of chapters 4-10. (C) 2015 by Radiation Research Society C1 [Brooks, Antone L.] US DOE, Low Dose Radiat Res Program, Washington, DC 20585 USA. RP Brooks, AL (reprint author), 6802 West 13th, Kennewick, WA 99338 USA. EM tbrooks@tricity.wsu.edu NR 28 TC 1 Z9 1 U1 1 U2 3 PU RADIATION RESEARCH SOC PI LAWRENCE PA 810 E TENTH STREET, LAWRENCE, KS 66044 USA SN 0033-7587 EI 1938-5404 J9 RADIAT RES JI Radiat. Res. PD APR PY 2015 VL 183 IS 4 BP 375 EP 381 DI 10.1667/RR14027.1 PG 7 WC Biology; Biophysics; Radiology, Nuclear Medicine & Medical Imaging SC Life Sciences & Biomedicine - Other Topics; Biophysics; Radiology, Nuclear Medicine & Medical Imaging GA CG6MW UT WOS:000353416500002 PM 25768839 ER PT J AU Volkow, N AF Volkow, Nora TI An interview with Nora Volkow SO TRENDS IN PHARMACOLOGICAL SCIENCES LA English DT Editorial Material C1 [Volkow, Nora] NIH, NIDA, Rockville, MD 20852 USA. [Volkow, Nora] NYU, New York, NY 10003 USA. [Volkow, Nora] US DOE, Brookhaven Natl Lab, Nucl Med, Upton, NY USA. [Volkow, Nora] US DOE, Brookhaven Natl Lab, Dept Med, Upton, NY USA. [Volkow, Nora] US DOE, Brookhaven Natl Lab, Life Sci, Upton, NY USA. [Volkow, Nora] SUNY Stony Brook, Dept Psychiat, Stony Brook, NY USA. [Volkow, Nora] SUNY Stony Brook, Sch Med, Stony Brook, NY USA. RP Volkow, N (reprint author), NIH, NIDA, Rockville, MD 20852 USA. EM nvoIkow@nida.nih.gov NR 0 TC 0 Z9 0 U1 0 U2 2 PU ELSEVIER SCIENCE LONDON PI LONDON PA 84 THEOBALDS RD, LONDON WC1X 8RR, ENGLAND SN 0165-6147 J9 TRENDS PHARMACOL SCI JI Trends Pharmacol. Sci. PD APR PY 2015 VL 36 IS 4 BP 187 EP 188 DI 10.1016/j.tips.2015.01.006 PG 2 WC Pharmacology & Pharmacy SC Pharmacology & Pharmacy GA CG6QA UT WOS:000353425700001 PM 25814055 ER PT J AU Cifor, A Denholm, P Ela, E Hodge, BM Reed, A AF Cifor, Angela Denholm, Paul Ela, Erik Hodge, Bri-Mathias Reed, Adam TI The policy and institutional challenges of grid integration of renewable energy in the western United States SO UTILITIES POLICY LA English DT Article DE Renewable energy; Electricity markets; Renewable resource integration AB Are organized markets necessary in the U.S. Western Interconnection for cost-optimal integration of renewable energy resources that, in accordance with state mandates, must be brought online in the coming decades? We examine the technological components of the western power grid as well as its political, institutional, economic, legal, and cultural attributes to assess the potential and feasibility of organized markets. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Cifor, Angela; Reed, Adam] Univ Colorado Boulder, Boulder, CO USA. [Denholm, Paul; Ela, Erik; Hodge, Bri-Mathias] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Hodge, BM (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM bri-mathias.hodge@nrel.gov FU Joint Institute for Strategic Energy Analysis FX The authors acknowledge the support of the Joint Institute for Strategic Energy Analysis, which is operated by the Alliance for Sustainable Energy, LLC, on behalf of the U.S. Department of Energy's National Renewable Energy Laboratory, the University of Colorado Boulder, the Colorado School of Mines, the Colorado State University, the Massachusetts Institute of Technology, and Stanford University. NR 12 TC 3 Z9 3 U1 1 U2 11 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0957-1787 EI 1878-4356 J9 UTIL POLICY JI Util. Policy PD APR PY 2015 VL 33 BP 34 EP 41 DI 10.1016/j.jup.2014.11.001 PG 8 WC Energy & Fuels; Environmental Sciences; Environmental Studies SC Energy & Fuels; Environmental Sciences & Ecology GA CG2EY UT WOS:000353088900004 ER PT J AU Nelson, NC Manzano, JS Sadow, AD Overbury, SH Sowing, II AF Nelson, Nicholas C. Manzano, J. Sebastian Sadow, Aaron D. Overbury, Steven H. Sowing, Igor I. TI Selective Hydrogenation of Phenol Catalyzed by Palladium on High-Surface-Area Ceria at Room Temperature and Ambient Pressure SO ACS CATALYSIS LA English DT Article DE mesoporous ceria; phenol hydrogenation; metal-support interactions; dissociative adsorption; redox-active support ID CARBON-MONOXIDE OXIDATION; NOBLE-METAL CATALYSTS; GAS SHIFT REACTION; SUPPORTED PD; THERMAL-STABILITY; AQUEOUS-MEDIA; CO OXIDATION; CYCLOHEXANONE; NANOPARTICLES; DERIVATIVES AB Palladium supported on high-surface-area ceria effectively catalyzes the hydrogenation of phenol to cyclohexanone at atmospheric pressure and room temperature. Activation of H-2 at Pd sites and phenol at surface ceria sites was investigated by probing the redox properties of the catalyst and studying the mechanism of phenol adsorption. Temperature-programmed reduction and pulsed chemisorption were used to examine the effects of prereduction temperature on catalyst dispersion and reducibility. A sharp effect of prereduction temperature on catalytic activity was observed. This dependence is rationalized as a result of interactions between palladium and ceria, which under reducing conditions enhance palladium dispersion and create different types of environments around the Pd active sites and of encapsulation of the catalyst caused by support sintering at high temperatures. Temperature-programmed diffuse reflectance infrared Fourier transform spectroscopy revealed that phenol undergoes dissociative adsorption on ceria to yield cerium-bound phenoxy and water. Reduction of the chemisorbed phenoxy species decreases the number of proton-accepting sites on the surface of ceria and prevents further dissociative adsorption. Subsequent phenol binding proceeds through physisorption, which is a less active binding mode for reduction by hydrogen. High activity can be restored upon regeneration of proton acceptor sites via reoxidation/reduction of the catalyst. C1 [Nelson, Nicholas C.; Manzano, J. Sebastian; Sadow, Aaron D.; Sowing, Igor I.] US DOE, Ames Lab, Ames, IA 50011 USA. [Nelson, Nicholas C.; Manzano, J. Sebastian; Sadow, Aaron D.; Sowing, Igor I.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. [Overbury, Steven H.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Sowing, II (reprint author), US DOE, Ames Lab, Ames, IA 50011 USA. EM islowing@iastate.edu RI Overbury, Steven/C-5108-2016; OI Overbury, Steven/0000-0002-5137-3961; Slowing, Igor/0000-0002-9319-8639 FU Critical Materials Institute, an Energy Innovation Hub - U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Advanced Manufacturing Office FX The authors thank BASF for the generous donation of Pluronics surfactant. This research was supported by the Critical Materials Institute, an Energy Innovation Hub funded by the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Advanced Manufacturing Office. NR 70 TC 13 Z9 13 U1 12 U2 129 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2155-5435 J9 ACS CATAL JI ACS Catal. PD APR PY 2015 VL 5 IS 4 BP 2051 EP 2061 DI 10.1021/cs502000j PG 11 WC Chemistry, Physical SC Chemistry GA CF3QU UT WOS:000352464400005 ER PT J AU Brown, HJS Wiese, S Roberts, JAS Bullock, RM Helm, ML AF Brown, Houston J. S. Wiese, Stefan Roberts, John A. S. Bullock, R. Morris Helm, Monte L. TI Electrocatalytic Hydrogen Production by [Ni(7P(2)(Ph)N(H))(2)](2+): Removing the Distinction Between Endo- and Exo-Protonation Sites SO ACS CATALYSIS LA English DT Article DE hydrogen production; electrocatalysis; proton relays; pendant amines; nickel complexes; nickel phosphine complexes ID SPECTROPHOTOMETRIC BASICITY SCALE; H-2 PRODUCTION; ACTIVE-SITE; MOLECULAR ELECTROCATALYSTS; CATALYTIC RATES; PENDANT AMINES; OXIDATION; COMPLEXES; ACETONITRILE; MOBILITY AB A new Ni(II) complex, [N-i(7P(2)(Ph)N(H))(2)H](3+) (7P(2)(Ph)N(HH) = 3,6-diphenyl-1-aza-3,6-diphosphacycloheptane), has been synthesized, and its electrochemical properties have been reported. The 7P(2)(Ph)N(HH) ligand features an NH, ensuring properly positioned protonated amine groups (NH+) for electrocatalysis, regardless of whether protonation occurs exo or endo to the metal center. The compound is an electrocatalyst for H-2 production in the presence of organic acids (pK(a) range 1013 in CH3CN), with turnover frequencies ranging from 160 to 780 s(1) at overpotentials between 320 and 470 mV, as measured at the potential of the catalytic wave. In stark contrast to [Ni((P2N2R')-N-Ph)(2)](2+) ((P2N2R')-N-Ph = 3,7-diphenyl-1,5-diaza-3,7-diphosphacyclooctane) and other [Ni(7P(2)(Ph)N(R'))(2)](2+) complexes, catalytic turnover frequencies for H-2 production by [Ni(7P(2)(Ph)N(H))(2)](2+) do not show catalytic rate enhancement upon the addition of H2O. This finding supports the assertion that [Ni(7P(2)(Ph)N(H'))(2)](2+) eliminates the distinction between the endo- and exo-protonation isomers. C1 [Brown, Houston J. S.; Wiese, Stefan; Roberts, John A. S.; Bullock, R. Morris; Helm, Monte L.] Pacific NW Natl Lab, Ctr Mol Elect, Div Phys Sci, Richland, WA 99352 USA. RP Helm, ML (reprint author), Pacific NW Natl Lab, Ctr Mol Elect, Div Phys Sci, POB 999,K2-57, Richland, WA 99352 USA. EM monte.helm@pnnl.gov RI Bullock, R. Morris/L-6802-2016 OI Bullock, R. Morris/0000-0001-6306-4851 FU Center for Molecular Electrocatalysis, an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences FX We thank Daniel DuBois and Aaron Appel for helpful discussions and Ryan M. Stoney for collecting 13C and 19F NMR spectra. This research was supported as part of the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. Pacific Northwest National Laboratory is operated by Battelle for the U.S. Department of Energy. NR 37 TC 7 Z9 7 U1 1 U2 15 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2155-5435 J9 ACS CATAL JI ACS Catal. PD APR PY 2015 VL 5 IS 4 BP 2116 EP 2123 DI 10.1021/cs502132y PG 8 WC Chemistry, Physical SC Chemistry GA CF3QU UT WOS:000352464400012 ER PT J AU Ertem, MZ Kharche, N Batista, VS Hybertsen, MS Tully, JC Muckerman, JT AF Ertem, Mehmed Z. Kharche, Neerav Batista, Victor S. Hybertsen, Mark S. Tully, John C. Muckerman, James T. TI Photoinduced Water Oxidation at the Aqueous GaN (10(1)over-bar0) Interface: Deprotonation Kinetics of the First Proton-Coupled Electron-Transfer Step SO ACS CATALYSIS LA English DT Article DE water oxidation; density functional theory; GaN; photocatalysis; aqueous interface; AIMD ID SOLID-SOLUTION PHOTOCATALYST; SOLVATION FREE-ENERGIES; AUGMENTED-WAVE METHOD; REDUCTION POTENTIALS; OXIDE SURFACES; DYNAMICS; PSEUDOPOTENTIALS; ZNO AB Photoelectrochemical water splitting plays a key role in a promising path to the carbon-neutral generation of solar fuels. Wurzite GaN and its alloys (e.g., GaN/ZnO and InGaN) are demonstrated photocatalysts for water oxidation, and they can drive the overall water splitting reaction when coupled with co-catalysts for proton reduction. The present work investigates the water oxidation mechanism on the prototypical GaN (10 (10) over bar) surface using a combined ab initio molecular dynamics and molecular cluster model approach taking into account the role of water dissociation and hydrogen bonding within the first solvation shell of the hydroxylated surface. The investigation of free-energy changes for the four proton-coupled electron-transfer (PCET) steps of the water oxidation mechanism shows that the first PCET step for the conversion of -Ga-OH to -Ga-O.- requires the highest energy input. The study further examines the sequential PCETs, with the proton transfer (PT) following the electron transfer (ET), and finds that photogenerated holes localize on surface -NH sites, and the calculated free-energy changes indicate that PCET through -NH sites is thermodynamically more favorable than -OH sites. However, proton transfer from -OH sites with subsequent localization of holes on oxygen atoms is kinetically favored owing to hydrogen bonding interactions at the GaN (10 (10) over bar)-water interface. The deprotonation of surface -OH sites is found to be the limiting factor for the generation of reactive oxyl radical ion intermediates and consequently for water oxidation. C1 [Ertem, Mehmed Z.; Kharche, Neerav; Muckerman, James T.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Hybertsen, Mark S.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. [Ertem, Mehmed Z.; Batista, Victor S.; Tully, John C.] Yale Univ, Dept Chem, New Haven, CT 06520 USA. RP Ertem, MZ (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. EM mzertem@bnl.gov; nkharche@bnl.gov; muckerma@bnl.gov RI Kharche, Neerav/F-4331-2015 OI Kharche, Neerav/0000-0003-1014-6022 FU U.S. Department of Energy, Office of Science, its Office of Basic Energy Sciences (Computational Materials and Chemical Sciences Network program, Division of Chemical Sciences, and Scientific User Facilities Division) [DE-SC00112704]; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231]; U.S. Department of Energy, Office of Science, its Office of Basic Energy Sciences [DE-FG02-05ER15677]; Argonne-Northwestern Solar Energy Research (ANSER) Center, an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0001059] FX The work carried out at Brookhaven National Laboratory was supported by the U.S. Department of Energy, Office of Science, its Office of Basic Energy Sciences (Computational Materials and Chemical Sciences Network program, Division of Chemical Sciences, and Scientific User Facilities Division), under Contract DE-SC00112704 and utilized resources at the Center for Functional Nanomaterials, Brookhaven National Laboratory, and at the National Energy Research Scientific Computing Center, supported by the Office of Science of the U.S. Department of Energy under Contract DE-AC02-05CH11231. J.C.T. acknowledges support by the U.S. Department of Energy, Office of Science, its Office of Basic Energy Sciences, under Contract DE-FG02-05ER15677. V.S.B. acknowledges support as part of the Argonne-Northwestern Solar Energy Research (ANSER) Center, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Award DE-SC0001059. NR 45 TC 4 Z9 4 U1 12 U2 77 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2155-5435 J9 ACS CATAL JI ACS Catal. PD APR PY 2015 VL 5 IS 4 BP 2317 EP 2323 DI 10.1021/acscatal.5600054 PG 7 WC Chemistry, Physical SC Chemistry GA CF3QU UT WOS:000352464400037 ER PT J AU Tan, TL Wang, LL Zhang, J Johnson, DD Bai, KW AF Tan, Teck L. Wang, Lin-Lin Zhang, Jia Johnson, Duane D. Bai, Kewu TI Platinum Nanoparticle During Electrochemical Hydrogen Evolution: Adsorbate Distribution, Active Reaction Species, and Size Effect SO ACS CATALYSIS LA English DT Article DE first-principles; cluster expansion; adsorption isotherm; hydrogen evolution; hydrogen oxidation; cyclic voltammetry; catalysis; platinum; electrochemistry ID DENSITY-FUNCTIONAL THEORY; OXYGEN REDUCTION REACTION; SHAPE-CONTROLLED SYNTHESIS; COMPREHENSIVE SEARCH; ADSORPTION; SURFACES; OXIDATION; CARBON; ELECTROCATALYSIS; SITES AB For small Pt nanoparticles (NPs), catalytic activity is, as observed, adversely affected by size in the 1-3 nm range. We elucidate, via first-principles-based thermodynamics, the operation H* distribution and cyclic voltammetry (CV) during the hydrogen evolution reaction (HER) across the electrochemical potential, including the underpotential region (U <= 0) that is difficult to assess in experiment. We consider multiple adsorption sites on a 1 nm Pt NP model and show that the characteristic CV peaks from different H* species correspond well to experiment. We next quantify the activity contribution from each H* species to explain the adverse effect of size. From the resolved CV peaks at the standard hydrogen electrode potential (U = 0), we first deduce that the active species for the HER are the partially covered (100)-facet bridge sites and the (111)-facet hollow sites. Upon evaluation of the reaction barriers at operation H* distribution and microkinetic modeling of the exchange current, we find that the nearest-neighbor (100)-facet bridge site pairs have the lowest activation energy and contribute to similar to 75% of the NP activity. Edge bridge sites (fully covered by H*) per se are not active; however, they react with neighboring (100)-facet H* to account for similar to 18% of the activity, whereas (111)-facet hollow sites contribute little. Extrapolating the relative contributions to larger NPs in which the ratio of facet-to-edge sites increases, we show that the adverse size effect of Pt NP HER activity kicks in for sizes below 2 nm. C1 [Tan, Teck L.; Zhang, Jia; Bai, Kewu] Agcy Sci Technol & Res, Inst High Performance Comp, Singapore 138632, Singapore. [Wang, Lin-Lin; Johnson, Duane D.] Iowa State Univ, Ames Lab, US DOE, Ames, IA 50011 USA. [Johnson, Duane D.] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA. RP Tan, TL (reprint author), Agcy Sci Technol & Res, Inst High Performance Comp, Singapore 138632, Singapore. EM tantl@ihpc.a-star.edu.sg OI Johnson, Duane/0000-0003-0794-7283 FU Institute of High Performance Computing (IHPC); National Science Foundation [DMR-012448]; Materials Computation Center [DMR-0325939]; U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences, Materials Science and Engineering Division [DE-AC02-07CH11358]; LDRD; Department of Energy by Iowa State University [DE-AC02-07CH11358]; University of Illinois from the DOE-BES, Division of Chemical Science, Geosciences and Bioscience [DEFG02-03ER15476] FX T.L.T., J.Z., and K.W.B. acknowledge internal funding from Institute of High Performance Computing (IHPC). T.L.T. and J.Z. acknowledge the use of supercomputers in A-STAR Computational Resource Centre (ACRC) for DFT computations performed in this work. The initial thesis version of TTK code, developed by T.L.T. at the University of Illinois Urbana-Champaign, was supported by the National Science Foundation (Grant DMR-012448) and the Materials Computation Center (Grant DMR-0325939). The work at Ames (TTK code for materials discovery) was supported in part by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences, Materials Science and Engineering Division under Contract DE-AC02-07CH11358, with additional capabilities made possible from LDRD funding for materials discovery and design. Ames Laboratory is operated for the Department of Energy by Iowa State University under Contract DE-AC02-07CH11358. Extension of TTK for catalysis (L.L.W. and D.D.J.) was supported in part by Iowa State University through a subcontract with the University of Illinois from the DOE-BES, Division of Chemical Science, Geosciences and Bioscience under Contract DEFG02-03ER15476. NR 57 TC 13 Z9 13 U1 13 U2 72 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2155-5435 J9 ACS CATAL JI ACS Catal. PD APR PY 2015 VL 5 IS 4 BP 2376 EP 2383 DI 10.1021/cs501840c PG 8 WC Chemistry, Physical SC Chemistry GA CF3QU UT WOS:000352464400041 ER PT J AU Ahn, HS Yano, J Tilley, TD AF Ahn, Hyun S. Yano, Junko Tilley, T. Don TI Water Oxidation by Cobalt Centers on Various Oxide Surfaces: The Effects of Oxide Surface Acidity and Oxygen Atom Affinity on Catalysis SO ACS CATALYSIS LA English DT Article DE water oxidation; oxide; single-site; cobalt; surface acidity; oxygen atom affinity ID REDOX-INACTIVE METALS; EVOLUTION; COMPLEXES; MECHANISM; CLUSTERS AB Single-atom cobalt centers on various oxide surfaces (TiO2, MgO, SBA-15, AlPO, and Y-Zeolite) were prepared and evaluated as water oxidation catalysts by photochemical water oxidation experiments. Superior catalytic rates were observed for cobalt sites on basic supporting oxides (TiO2 and MgO) relative to those on acidic oxides (Y-Zeolite, AlPO, and SiO2). Per-atom turnover frequencies of ca. 0.04 s(-1) were achieved, giving initial rates 100 times greater than that of a surface atom of a Co3O4 nanoparticle. Contrary to expectations based on theoretical work, no apparent correlation was observed between the catalytic rates and the oxygen atom affinities of the supporting oxides. C1 [Ahn, Hyun S.; Tilley, T. Don] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Ahn, Hyun S.; Tilley, T. Don] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Yano, Junko] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Tilley, TD (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM tdtilley@berkeley.edu FU Office of Science, Office of Basic Energy Sciences of the U.S. Department of Energy [DE-AC02-05CH11231]; Office of Science, Office of Basic Energy Sciences (OBES), of the U.S. Department of Energy (DOE) [DE-AC02-05CH11231]; DOE Office of Biological and Environmental Research; National Institutes of Health, National Institute of General Medical Sciences [P41GM103393]; National Center for Research Resources [P41RR001209] FX This work was 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. XAS data collection was carried out at the Advanced Light Source (ALS), which is supported by the Director, Office of Science, Office of Basic Energy Sciences (OBES), of the U.S. Department of Energy (DOE), under Contract No. DE-AC02-05CH11231. A part of the XAS data collection was also carried out at the Stanford Synchrotron Radiation Lightsource (SSRL) at BL 7.3, a Directorate of SLAC National Accelerator Laboratory and an Office of Science User Facility operated for the U.S. Department of Energy Office of Science by Stanford University. The SSRL Structural Molecular Biology Program is supported by the DOE Office of Biological and Environmental Research, and by the National Institutes of Health, National Institute of General Medical Sciences (including P41GM103393) and the National Center for Research Resources (P41RR001209). NR 23 TC 7 Z9 7 U1 16 U2 73 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2155-5435 J9 ACS CATAL JI ACS Catal. PD APR PY 2015 VL 5 IS 4 BP 2573 EP 2576 DI 10.1021/cs502120f PG 4 WC Chemistry, Physical SC Chemistry GA CF3QU UT WOS:000352464400063 ER PT J AU Suram, SK Haber, JA Jin, J Gregoire, JM AF Suram, Santosh K. Haber, Joel A. Jin, Jian Gregoire, John M. TI Generating Information-Rich High-Throughput Experimental Materials Genomes using Functional Clustering via Multitree Genetic Programming and Information Theory SO ACS COMBINATORIAL SCIENCE LA English DT Article DE materials genomes; high-throughput experimentation; combinatorial science; informatics; down-selection; clustering; functional relationships; multitree genetic programming; information theory ID COMBINATORIAL; DESIGN; DISCOVERY; CATALYSTS; SEARCH AB High-throughput experimental methodologies are capable of synthesizing, screening and characterizing vast arrays of combinatorial material libraries at a very rapid rate. These methodologies strategically employ tiered screening wherein the number of compositions screened decreases as the complexity, and very often the scientific information obtained from a screening experiment, increases. The algorithm used for down-selection of samples from higher throughput screening experiment to a lower throughput screening experiment is vital in achieving information-rich experimental materials genomes. The fundamental science of material discovery lies in the establishment of composition-structure-property relationships, motivating the development of advanced down-selection algorithms which consider the information value of the selected compositions, as opposed to simply selecting the best performing compositions from a high throughput experiment. Identification of property fields (composition regions with distinct composition-property relationships) in high throughput data enables down-selection algorithms to employ advanced selection strategies, such as the selection of representative compositions from each field or selection of compositions that span the composition space of the highest performing field. Such strategies would greatly enhance the generation of data-driven discoveries. We introduce an informatics-based clustering of composition-property functional relationships using a combination of information theory and multitree genetic programming concepts for identification of property fields in a composition library. We demonstrate our approach using a complex synthetic composition-property map for a 5 at. % step ternary library consisting of four distinct property fields and finally explore the application of this methodology for capturing relationships between composition and catalytic activity for the oxygen evolution reaction for 5429 catalyst compositions in a (NiFeCoCe)O-x library. C1 [Suram, Santosh K.; Haber, Joel A.; Gregoire, John M.] CALTECH, Joint Ctr Artificial Photosynthesis, Pasadena, CA 91125 USA. [Jin, Jian] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Engn, Berkeley, CA 94720 USA. RP Suram, SK (reprint author), CALTECH, Joint Ctr Artificial Photosynthesis, Pasadena, CA 91125 USA. EM sksuram@caltech.edu; gregoire@caltech.edu RI kiaie, robabeh/I-2157-2016; kiaie, fatemeh/I-6083-2016 OI kiaie, robabeh/0000-0001-5251-3201; FU Joint Center for Artificial Photosynthesis, a DOE Energy Innovation Hub through the Office of Science of the U.S. Department of Energy [DE-SC000499]; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work is performed by the Joint Center for Artificial Photosynthesis, a DOE Energy Innovation Hub, supported through the Office of Science of the U.S. Department of Energy under Award Number DE-SC000499. This research used resources of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. The authors thank Dr. Misha Z. Pesenson for helpful discussions. NR 40 TC 8 Z9 8 U1 3 U2 19 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2156-8952 EI 2156-8944 J9 ACS COMB SCI JI ACS Comb. Sci. PD APR PY 2015 VL 17 IS 4 BP 224 EP 233 DI 10.1021/co5001579 PG 10 WC Chemistry, Applied; Chemistry, Medicinal; Chemistry, Multidisciplinary SC Chemistry; Pharmacology & Pharmacy GA CG1AM UT WOS:000353005400003 PM 25706328 ER PT J AU Underkofler, KA Teixeira, RE Pietsch, SA Knapp, KG Raines, RT AF Underkofler, Kaylee A. Teixeira, Rodrigo E. Pietsch, Stephen A. Knapp, Kurtis G. Raines, Ronald T. TI Separation of Lignin from Corn Stover Hydrolysate with Quantitative Recovery of Ionic Liquid SO ACS SUSTAINABLE CHEMISTRY & ENGINEERING LA English DT Article DE Bagasse; biorefinery; 1-butyl-3-methylimidazolium chloride; centrifugation; corn stover; filtration; techno-economics; valorization ID MODEL COMPOUNDS; RENEWABLE CHEMICALS; ARYL ETHERS; DEGRADATION; CONVERSION; BIOMASS; DEPOLYMERIZATION; HYDROGENOLYSIS AB Abundant lignocellulosic biomass could become a source of sugars and lignin, potential feedstocks for the now emergent biorenewable economy. The production and conversion of sugars from biomass have been well-studied, but far less is known about the production of lignin that is amenable to valorization. Here we report the isolation of lignin generated from the hydrolysis of biomass dissolved in the ionic liquid 1-butyl-3-methylimidazolium chloride. We show that lignin can be isolated from the hydrolysate slurry by simple filtration or centrifugation, and that the ionic liquid can be recovered quantitatively by a straightforward wash with water. The isolated lignin is not only free from ionic liquid but also lacks cellulosic residues and is substantially depolymerized, making it a promising feedstock for valorization by conversion into fuels and chemicals. C1 [Underkofler, Kaylee A.; Raines, Ronald T.] Univ Wisconsin, Dept Chem, Madison, WI 53706 USA. [Underkofler, Kaylee A.; Raines, Ronald T.] US DOE, Great Lakes Bioenergy Res Ctr, Wisconsin Energy Inst, Madison, WI 53726 USA. [Teixeira, Rodrigo E.; Pietsch, Stephen A.; Knapp, Kurtis G.] Hyrax Energy Inc, Menlo Pk, CA 94025 USA. [Raines, Ronald T.] Univ Wisconsin, Dept Biochem, Madison, WI 53706 USA. RP Raines, RT (reprint author), Univ Wisconsin, Dept Chem, 1101 Univ Ave, Madison, WI 53706 USA. EM rtraines@wisc.edu FU Great Lakes Bioenergy Research Center by DOE Office of Biological and Environmental Research [DE-FC02-07ER64494]; DOE Office of Energy Efficiency and Renewable Energy [DE-SC0010126]; NSF Industrial Innovation and Partnerships organization [IIP-1314699]; NIH [P41 GM103399] FX We are grateful to Dr. N. de Leon for samples of corn stover, Merck KGaA for [BMIM]Cl, and Drs. J. Ralph and B. R Caes for contributive discussions. This work was supported by the Great Lakes Bioenergy Research Center, which is supported by the DOE Office of Biological and Environmental Research (DE-FC02-07ER64494). Biorefinery process development at Hyrax Energy, Inc. is supported by the DOE Office of Energy Efficiency and Renewable Energy (DE-SC0010126) and by the NSF Industrial Innovation and Partnerships organization (IIP-1314699). This study made use of the National Magnetic Resonance Facility at Madison, which is supported by the NIH (P41 GM103399). Microscopy was performed at the Newcomb Imaging Center, Department of Botany, University of Wisconsin-Madison. NR 36 TC 6 Z9 6 U1 6 U2 47 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2168-0485 J9 ACS SUSTAIN CHEM ENG JI ACS Sustain. Chem. Eng. PD APR PY 2015 VL 3 IS 4 BP 606 EP 613 DI 10.1021/sc500731c PG 8 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Engineering, Chemical SC Chemistry; Science & Technology - Other Topics; Engineering GA CF4MA UT WOS:000352522000008 PM 25866701 ER PT J AU Liebschner, D Rosenbaum, G Dauter, M Dauter, Z AF Liebschner, Dorothee Rosenbaum, Gerold Dauter, Miroslawa Dauter, Zbigniew TI Radiation decay of thaumatin crystals at three X-ray energies SO ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY LA English DT Article DE radiation damage; dose limit; energy dependence ID PROTEIN CRYSTALS; MACROMOLECULAR CRYSTALLOGRAPHY; SYNCHROTRON-RADIATION; DAMAGE; CRYOCRYSTALLOGRAPHY; DEPENDENCE; DIFFRACTION AB Radiation damage is an unavoidable obstacle in X-ray crystallographic data collection for macromolecular structure determination, so it is important to know how much radiation a sample can endure before being degraded beyond an acceptable limit. In the literature, the threshold at which the average intensity of all recorded reflections decreases to a certain fraction of the initial value is called the 'dose limit'. The first estimated D-50 dose-limit value, at which the average diffracted intensity was reduced to 50%, was 20 MGy and was derived from observing sample decay in electron-diffraction experiments. A later X-ray study carried out at 100 Kon ferritin protein crystals arrived at a D-50 of 43 MGy, and recommended an intensity reduction of protein reflections to 70%, D-70, corresponding to an absorbed dose of 30 MGy, as a more appropriate limit for macromolecular crystallography. In the macromolecular crystallography community, the rate of intensity decay with dose was then assumed to be similar for all protein crystals. A series of diffraction images of cryocooled (100 K) thaumatin crystals at identical small, 2 degrees rotation intervals were recorded at X-ray energies of 6.33, 12.66 and 19.00 keV. Five crystals were used for each wavelength. The decay in the average diffraction intensity to 70% of the initial value, for data extending to 2.45 angstrom resolution, was determined to be about 7.5 MGy at 6.33 keV and about 11 MGy at the two higher energies. C1 [Liebschner, Dorothee] High Energy Accelerator Res Org, Inst Mat Struct Sci, Photon Factory, Struct Biol Res Ctr, Tsukuba, Ibaraki, Japan. [Rosenbaum, Gerold] Univ Georgia, Dept Biochem, Argonne, IL 60439 USA. [Rosenbaum, Gerold] Argonne Natl Lab, Struct Biol Ctr, Argonne, IL 60439 USA. [Dauter, Miroslawa] Argonne Natl Lab, Basic Sci Program, Leidos Biomed Res Inc, Argonne, IL 60439 USA. [Dauter, Zbigniew] Argonne Natl Lab, Synchrotron Radiat Res Sect, MCL, Natl Canc Inst, Argonne, IL 60439 USA. RP Dauter, Z (reprint author), Argonne Natl Lab, Synchrotron Radiat Res Sect, MCL, Natl Canc Inst, 9700 S Cass Ave, Argonne, IL 60439 USA. EM dauter@anl.gov FU Intramural Research Program of the National Cancer Institute, Center for Cancer Research; Federal funds from the National Cancer Institute, National Institutes of Health [HHSN261200800E]; Department of Energy, Office of Biological and Environmental Research [DE-AC02-06CH11357]; US Department of Energy, Office of Science, Office of Basic Energy Sciences [W-31-109-Eng-38] FX This project was supported in part by the Intramural Research Program of the National Cancer Institute, Center for Cancer Research and with Federal funds from the National Cancer Institute, National Institutes of Health (Contract No. HHSN261200800E). The content of this publication does not necessarily reflect the views or policies of the Department of Health and Human Services, nor does the mention of trade names, commercial products or organizations imply endorsement by the US Government. Diffraction data were collected on beamline 19-ID of the Structural Biology Center at the Advanced Photon Source, Argonne National Laboratory operated under contract DE-AC02-06CH11357 of the Department of Energy, Office of Biological and Environmental Research. Use of the Advanced Photon Source was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences under Contract No. W-31-109-Eng-38. NR 28 TC 4 Z9 4 U1 1 U2 8 PU INT UNION CRYSTALLOGRAPHY PI CHESTER PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND SN 2059-7983 J9 ACTA CRYSTALLOGR D JI Acta Crystallogr. Sect. D-Struct. Biol. PD APR PY 2015 VL 71 BP 772 EP 778 DI 10.1107/S1399004715001030 PN 4 PG 7 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA CF4GQ UT WOS:000352507200004 PM 25849388 ER PT J AU Sliwiak, J Dauter, Z Kowiel, M McCoy, AJ Read, RJ Jaskolski, M AF Sliwiak, Joanna Dauter, Zbigniew Kowiel, Marcin McCoy, Airlie J. Read, Randy J. Jaskolski, Mariusz TI ANS complex of St John's wort PR-10 protein with 28 copies in the asymmetric unit: a fiendish combination of pseudosymmetry with tetartohedral twinning SO ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY LA English DT Article DE pathogenesis-related class 10 protein; St John's wort; Hypericum perforatum; 8-anilino-1-naphthalene sulfonate ID TRANSLATIONAL NONCRYSTALLOGRAPHIC SYMMETRY; PATHOGENESIS-RELATED PROTEINS; BET V 1; CRYSTAL-STRUCTURES; MACROMOLECULAR CRYSTALLOGRAPHY; INTENSITY STATISTICS; FLUORESCENT-PROBE; X-RAY; BINDING; CYTOKININ AB Hyp-1, a pathogenesis-related class 10 (PR-10) protein from St John's wort (Hypericum perforatum), was crystallized in complex with the fluorescent probe 8-anilino-1-naphthalene sulfonate (ANS). The highly pseudosymmetric crystal has 28 unique protein molecules arranged in columns with sevenfold translational noncrystallographic symmetry (tNCS) along c and modulated X-ray diffraction with intensity crests at l = 7n and l = 7n +/- 3. The translational NCS is combined with pseudotetragonal rotational NCS. The crystal was a perfect tetartohedral twin, although detection of twinning was severely hindered by the pseudosymmetry. The structure determined at 2.4 angstrom resolution reveals that the Hyp-1 molecules (packed as beta-sheet dimers) have three novel ligand-binding sites (two internal and one in a surface pocket), which was confirmed by solution studies. In addition to 60 Hyp-1-docked ligands, there are 29 interstitial ANS molecules distributed in a pattern that violates the arrangement of the protein molecules and is likely to be the generator of the structural modulation. In particular, whenever the stacked Hyp-1 molecules are found closer together there is an ANS molecule bridging them. C1 [Sliwiak, Joanna; Jaskolski, Mariusz] Polish Acad Sci, Inst Bioorgan Chem, Ctr Biocrystallog Res, Poznan, Poland. [Dauter, Zbigniew] Argonne Natl Lab, Natl Canc Inst, Synchrotron Radiat Res Sect, Argonne, IL 60439 USA. [Kowiel, Marcin] Poznan Univ Med Sci, Dept Organ Chem, Poznan, Poland. [McCoy, Airlie J.; Read, Randy J.] Univ Cambridge, Cambridge Inst Med Res, Dept Haematol, Cambridge CB2 0XY, England. [Jaskolski, Mariusz] Adam Mickiewicz Univ, Fac Chem, Dept Crystallog, PL-60780 Poznan, Poland. RP Jaskolski, M (reprint author), Polish Acad Sci, Inst Bioorgan Chem, Ctr Biocrystallog Res, Poznan, Poland. EM mariuszj@amu.edu.pl RI Read, Randy/L-1418-2013 OI Read, Randy/0000-0001-8273-0047 FU European Union within the European Regional Developmental Fund; Polish Ministry of Science and Higher Education [NN 301 003739]; National Science Center [2013/10/M/NZ1/00251]; Principal Research Fellowship from the Wellcome Trust [082961/Z/07/Z]; Intramural Research Program of the National Cancer Institute, Center for Cancer Research FX Financial support for this project was provided by the European Union within the European Regional Developmental Fund and by the Polish Ministry of Science and Higher Education (grant No. NN 301 003739) and National Science Center (2013/10/M/NZ1/00251). RJR was supported by a Principal Research Fellowship from the Wellcome Trust (grant No. 082961/Z/07/Z). ZD was supported in part by the Intramural Research Program of the National Cancer Institute, Center for Cancer Research. The raw images are available from the authors (ZD; zdauter@anl.gov) on request. NR 43 TC 3 Z9 3 U1 0 U2 7 PU INT UNION CRYSTALLOGRAPHY PI CHESTER PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND SN 2059-7983 J9 ACTA CRYSTALLOGR D JI Acta Crystallogr. Sect. D-Struct. Biol. PD APR PY 2015 VL 71 BP 829 EP 843 DI 10.1107/S1399004715001388 PN 4 PG 15 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA CF4GQ UT WOS:000352507200010 PM 25849394 ER PT J AU Lyubimov, AY Murray, TD Koehl, A Araci, IE Uervirojnangkoorn, M Zeldin, OB Cohen, AE Soltis, SM Baxter, EL Brewster, AS Sauter, NK Brunger, AT Berger, JM AF Lyubimov, Artem Y. Murray, Thomas D. Koehl, Antoine Araci, Ismail Emre Uervirojnangkoorn, Monarin Zeldin, Oliver B. Cohen, Aina E. Soltis, S. Michael Baxter, Elizabeth L. Brewster, Aaron S. Sauter, Nicholas K. Brunger, Axel T. Berger, James M. TI Capture and X-ray diffraction studies of protein microcrystals in a microfluidic trap array SO ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY LA English DT Article DE microfluidics; serial crystallography; XFELs; crystal harvesting; sample delivery ID SERIAL FEMTOSECOND CRYSTALLOGRAPHY; FREE-ELECTRON LASER; FREE INTERFACE DIFFUSION; ROOM-TEMPERATURE; BIOLOGICAL MACROMOLECULES; MICRO-CRYSTALLOGRAPHY; CRYSTAL-STRUCTURE; PHOTOSYSTEM-II; DATA-BANK; CRYSTALLIZATION AB X-ray free-electron lasers (XFELs) promise to enable the collection of interpretable diffraction data from samples that are refractory to data collection at synchrotron sources. At present, however, more efficient sample-delivery methods that minimize the consumption of microcrystalline material are needed to allow the application of XFEL sources to a wide range of challenging structural targets of biological importance. Here, a microfluidic chip is presented in which microcrystals can be captured at fixed, addressable points in a trap array from a small volume (<10 mu l) of a pre-existing slurry grown off-chip. The device can be mounted on a standard goniostat for conducting diffraction experiments at room temperature without the need for flash-cooling. Proof-of-principle tests with a model system (hen egg-white lysozyme) demonstrated the high efficiency of the microfluidic approach for crystal harvesting, permitting the collection of sufficient data from only 265 single-crystal still images to permit determination and refinement of the structure of the protein. This work shows that microfluidic capture devices can be readily used to facilitate data collection from protein microcrystals grown in traditional laboratory formats, enabling analysis when cryopreservation is problematic or when only small numbers of crystals are available. Such microfluidic capture devices may also be useful for data collection at synchrotron sources. C1 [Lyubimov, Artem Y.; Uervirojnangkoorn, Monarin; Zeldin, Oliver B.; Brunger, Axel T.] Stanford Univ, Dept Mol & Cellular Physiol, Stanford, CA 94305 USA. [Lyubimov, Artem Y.; Uervirojnangkoorn, Monarin; Zeldin, Oliver B.; Brunger, Axel T.] Stanford Univ, Dept Neurol & Neurol Sci, Stanford, CA 94305 USA. [Lyubimov, Artem Y.; Koehl, Antoine; Uervirojnangkoorn, Monarin; Zeldin, Oliver B.; Brunger, Axel T.] Stanford Univ, Dept Struct Biol, Stanford, CA 94305 USA. [Lyubimov, Artem Y.; Uervirojnangkoorn, Monarin; Zeldin, Oliver B.; Brunger, Axel T.] Stanford Univ, Dept Photon Sci, Stanford, CA 94305 USA. [Lyubimov, Artem Y.; Araci, Ismail Emre; Uervirojnangkoorn, Monarin; Zeldin, Oliver B.; Brunger, Axel T.] Stanford Univ, Howard Hughes Med Inst, Stanford, CA 94305 USA. [Murray, Thomas D.] Univ Calif Berkeley, Biophys Grad Grp, Berkeley, CA 94720 USA. [Murray, Thomas D.; Berger, James M.] Johns Hopkins Univ, Sch Med, Dept Biophys & Biophys Chem, Baltimore, MD 21205 USA. [Araci, Ismail Emre] Stanford Univ, Dept Bioengn, Stanford, CA 94305 USA. [Cohen, Aina E.; Soltis, S. Michael; Baxter, Elizabeth L.] SLAC Natl Accelerator Lab, Stanford, CA 94305 USA. [Brewster, Aaron S.; Sauter, Nicholas K.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Brunger, AT (reprint author), Stanford Univ, Dept Mol & Cellular Physiol, Stanford, CA 94305 USA. EM brunger@stanford.edu; jberge29@jhmi.edu RI Sauter, Nicholas/K-3430-2012; OI Brunger, Axel/0000-0001-5121-2036 FU US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-76SF00515]; NIH [GM095887, GM102520]; Office of Science, Department of Energy (DOE) [DE-AC02-05CH11231]; Hughes Collaborative Innovation Award (HCIA) FX We would like to acknowledge Michael Robles of the Stanford Microfluidic Foundry for fabrication of the devices and Professor Stephen R. Quake for advice on microfluidics. We would also like to thank Professor Stephen Harrison for advice on chip design and data collection as well as the generous donation of a portion of his XFEL beamtime, as well as the SSRL/LCLS scientists Henrik Lemke, Jinhu Song, Tzanko Doukov and Elena G. Kovaleva for their invaluable assistance with adapting the microfluidic devices for data collection at the BL12-2 and XPP facilities. Use of the Stanford Synchrotron Radiation Laboratory (SSRL) and Linac Coherent Light Source (LCLS), SLAC National Accelerator Laboratory is supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences under Contract No. DE-AC02-76SF00515. ASB and NKS were supported by NIH grants GM095887 and GM102520 and the Director, Office of Science, Department of Energy (DOE) under contract DE-AC02-05CH11231 for data-processing methods. Funding for this project was provided by a Hughes Collaborative Innovation Award (HCIA) to ATB and JMB. NR 63 TC 12 Z9 12 U1 6 U2 23 PU INT UNION CRYSTALLOGRAPHY PI CHESTER PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND SN 2059-7983 J9 ACTA CRYSTALLOGR D JI Acta Crystallogr. Sect. D-Struct. Biol. PD APR PY 2015 VL 71 BP 928 EP 940 DI 10.1107/S1399004715002308 PN 4 PG 13 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA CF4GQ UT WOS:000352507200019 PM 25849403 ER PT J AU Demos, SG Ehrmann, PR Qiu, SR Schaffers, KI Suratwala, TI AF Demos, Stavros G. Ehrmann, Paul R. Qiu, S. Roger Schaffers, Kathleen I. Suratwala, Tayyab I. TI Estimation of excited-state absorption and photobleaching in Fe2+-doped lithium sodium silicate glass under exposure to high-power nanosecond laser pulses SO APPLIED OPTICS LA English DT Article ID IRON; IONS; TEMPERATURE; PHOSPHATE; FE-3+; MELTS; TIN AB Fe-doped lithium sodium silicate glasses codoped with Sn and C to promote the Fe2+ redox state are investigated under simultaneous excitation at the first and third harmonics of a nanosecond Nd:YAG laser. The aim is to evaluate critical parameters associated with the potential use of this material as an optical filter that transmits the third harmonic but blocks the fundamental frequency. Estimations of the excited-state absorption coefficient and photobleaching (reduction of absorption at the fundamental) are provided. The results provide insight on the design and expected operational parameters of this type of Fe-doped materials. C1 [Demos, Stavros G.; Ehrmann, Paul R.; Qiu, S. Roger; Schaffers, Kathleen I.; Suratwala, Tayyab I.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Demos, SG (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94551 USA. EM demos1@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. NR 17 TC 2 Z9 2 U1 2 U2 9 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1559-128X EI 2155-3165 J9 APPL OPTICS JI Appl. Optics PD APR 1 PY 2015 VL 54 IS 10 BP 2762 EP 2768 DI 10.1364/AO.54.002762 PG 7 WC Optics SC Optics GA CE9GP UT WOS:000352152400030 PM 25967187 ER PT J AU McMillen, A Torcellini, P Ray, S Rodgers, K AF McMillen, Adam Torcellini, Paul Ray, Sumit Rodgers, Kevin TI Procurement Path For Energy-Efficient Buildings SO ASHRAE JOURNAL LA English DT Article C1 [McMillen, Adam] Wisconsins Chicago Off, Energy Ctr, Chicago, IL USA. [Torcellini, Paul] NREL, Commercial Bldg Res, Golden, CO USA. [Ray, Sumit] Engn & Utilit, Leeds, W Yorkshire, England. [Rodgers, Kevin] Univ Chicago, Chicago, IL 60637 USA. RP McMillen, A (reprint author), Wisconsins Chicago Off, Energy Ctr, Chicago, IL USA. NR 3 TC 0 Z9 0 U1 1 U2 4 PU AMER SOC HEATING REFRIGERATING AIR-CONDITIONING ENG, INC, PI ATLANTA PA 1791 TULLIE CIRCLE NE, ATLANTA, GA 30329 USA SN 0001-2491 EI 1943-6637 J9 ASHRAE J JI ASHRAE J. PD APR PY 2015 VL 57 IS 4 BP 12 EP + PG 8 WC Thermodynamics; Construction & Building Technology; Engineering, Mechanical SC Thermodynamics; Construction & Building Technology; Engineering GA CF3QP UT WOS:000352463900007 ER PT J AU Poovaiah, CR Mazarei, M Decker, SR Turner, GB Sykes, RW Davis, MF Stewart, CN AF Poovaiah, Charleson R. Mazarei, Mitra Decker, Stephen R. Turner, Geoffrey B. Sykes, Robert W. Davis, Mark F. Stewart, C. Neal, Jr. TI Transgenic switchgrass (Panicum virgatum L.) biomass is increased by overexpression of switchgrass sucrose synthase (PvSUS1) SO BIOTECHNOLOGY JOURNAL LA English DT Article DE Biofuel; Biomass; Overexpression; Sucrose synthase; Switchgrass ID CELL-WALL; CELLULOSE SYNTHESIS; MEMBRANE ASSOCIATION; PLANT BIOMASS; MAIZE; EXPRESSION; GROWTH; PHOSPHORYLATION; LOCALIZATION; METABOLISM AB Sucrose synthase (SUS) converts sucrose and uridine di-phosphate (UDP) into UDP-glucose and fructose. UDP-glucose is used by the cellulose synthase to produce cellulose for cell wall biosynthesis. For lignocellulosic feedstocks such as switchgrass, the manipulation of cell walls to decrease lignin content is needed to reduce recalcitrance of conversion of biomass into biofuels. Of perhaps equal importance for bioenergy feedstocks is increasing biomass. Four SUS genes were identified in switchgrass. Each gene contained 14 or 15 introns. PvSUS1 was expressed ubiquitously in the tissues tested. PvSUS2 and PvSUS6 were highly expressed in internodes and roots, respectively. PvSUS4 was expressed in low levels in the tissues tested. Transgenic switchgrass plants overexpressing PvSUS1 had increases in plant height by up to 37%, biomass by up to 13.6%, and tiller number by up to 79% compared to control plants. The lignin content was increased in all lines, while the sugar release efficiency was decreased in PvSUS1-overexpressing transgenic switchgrass plants. For switchgrass and other bioenergy feedstocks, the overexpression of SUS1 genes might be a feasible strategy to increase both plant biomass and cellulose content, and to stack with other genes to increase biofuel production per land area cultivated. C1 [Poovaiah, Charleson R.; Mazarei, Mitra; Stewart, C. Neal, Jr.] Univ Tennessee, Dept Plant Sci, Knoxville, TN 37996 USA. [Poovaiah, Charleson R.; Mazarei, Mitra; Decker, Stephen R.; Turner, Geoffrey B.; Sykes, Robert W.; Davis, Mark F.; Stewart, C. Neal, Jr.] Oak Ridge Natl Lab, BioEnergy Sci Ctr, Oak Ridge, TN USA. [Decker, Stephen R.; Turner, Geoffrey B.; Sykes, Robert W.; Davis, Mark F.] Natl Renewable Energy Lab, Golden, CO USA. RP Stewart, CN (reprint author), Univ Tennessee, Dept Plant Sci, 2431 Joe Johnson Dr, Knoxville, TN 37996 USA. EM nealstewart@utk.edu RI Poovaiah, Charleson/C-6777-2012; OI davis, mark/0000-0003-4541-9852; Poovaiah, Charleson/0000-0001-7157-5176 FU BioEnergy Science Center, a US Department of Energy Bioenergy Research Center, through Office of Biological and Environmental Research in the DOE Office of Science [DE-PS02-06ER64304] FX The authors thank Joshua Grant for assistance with histology, Jason N. Burris, and Ellen Reeves for assistance with switchgrass tissue culture and transformation. This work was supported by the BioEnergy Science Center (DE-PS02-06ER64304), a US Department of Energy Bioenergy Research Center, through the Office of Biological and Environmental Research in the DOE Office of Science. NR 46 TC 10 Z9 11 U1 4 U2 24 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1860-6768 EI 1860-7314 J9 BIOTECHNOL J JI Biotechnol. J. PD APR PY 2015 VL 10 IS 4 SI SI BP 552 EP U259 DI 10.1002/biot.201400499 PG 14 WC Biochemical Research Methods; Biotechnology & Applied Microbiology SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology GA CF5ZQ UT WOS:000352636500007 PM 25327983 ER PT J AU Studt, F Behrens, M Kunkes, EL Thomas, N Zander, S Tarasov, A Schumann, J Frei, E Varley, JB Abild-Pedersen, F Norskov, JK Schlogl, R AF Studt, Felix Behrens, Malte Kunkes, Edward L. Thomas, Nygil Zander, Stefan Tarasov, Andrey Schumann, Julia Frei, Elias Varley, Joel B. Abild-Pedersen, Frank Norskov, Jens K. Schloegl, Robert TI The Mechanism of CO and CO2 Hydrogenation to Methanol over Cu-Based Catalysts SO CHEMCATCHEM LA English DT Article DE copper; hydrogenation; kinetics; methanol; zinc ID GAS-SHIFT REACTION; ACTIVE-SITE; CU/ZNO/AL2O3 CATALYST; STRUCTURAL-CHANGES; CARBON-DIOXIDE; COPPER; WATER; ZNO; MIXTURES; SURFACE AB Methanol, an important chemical, fuel additive, and precursor for clean fuels, is produced by hydrogenation of carbon oxides over Cu-based catalysts. Despite the technological maturity of this process, the understanding of this apparently simple reaction is still incomplete with regard to the reaction mechanism and the active sites. Regarding the latter, recent progress has shown that stepped and ZnOx-decorated Cu surfaces are crucial for the performance of industrial catalysts. Herein, we integrate this insight with additional experiments into a full microkinetic description of methanol synthesis. In particular, we show how the presence or absence of the Zn promoter dramatically changes not only the activity, but unexpectedly the reaction mechanism itself. The Janus-faced character of Cu with two different sites for methanol synthesis, Zn-promoted and unpromoted, resolves the long-standing controversy regarding the Cu/Zn synergy and adds methanol synthesis to the few major industrial catalytic processes that are described on an atomic level. C1 [Studt, Felix; Abild-Pedersen, Frank; Norskov, Jens K.] SLAC Natl Accelerator Lab, SUNCAT Ctr Interface Sci & Catalysis, Menlo Pk, CA 94025 USA. [Studt, Felix; Abild-Pedersen, Frank; Norskov, Jens K.] Stanford Univ, Dept Chem Engn, Stanford, CA 94305 USA. [Behrens, Malte; Kunkes, Edward L.; Thomas, Nygil; Zander, Stefan; Tarasov, Andrey; Schumann, Julia; Frei, Elias; Schloegl, Robert] Max Planck Gesell, Fritz Haber Inst, Dept Inorgan Chem, D-14195 Berlin, Germany. [Behrens, Malte] Univ Duisburg Essen, Fac Chem, D-45141 Essen, Germany. [Behrens, Malte] Univ Duisburg Essen, CENIDE, D-45141 Essen, Germany. [Varley, Joel B.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Schloegl, Robert] Max Planck Inst Chem Energy Convers, Heterogeneous React Dept, D-45470 Mulheim, Germany. RP Studt, F (reprint author), SLAC Natl Accelerator Lab, SUNCAT Ctr Interface Sci & Catalysis, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA. EM studt@slac.stanford.edu; malte.behrens@uni-due.de RI Abild-Pedersen, Frank/C-3248-2014; Behrens, Malte/A-3035-2017; Norskov, Jens/D-2539-2017; Studt, Felix/C-7874-2017 OI Abild-Pedersen, Frank/0000-0002-1911-074X; Behrens, Malte/0000-0003-3407-5011; Norskov, Jens/0000-0002-4427-7728; FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences; Bayerisches Wissenschaftsministerium [NW-0810-0002] FX F.S., F.A.-P., and J.K.N. gratefully acknowledge support from the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences to the SUNCAT Center for Interface Science and Catalysis. M.B., E.L.K., N.T., S.Z., A.T., J.S., E.F., and R.S. thank the staff at the Fritz-Haber Institut for support with the experiments and acknowledge Prof. Dr. Martin Muhler, Prof. Dr. Olaf Hinrichsen and co-workers as well as the scientists at Clariant Produkte (Deutschland) GmbH, BU Catalysts in Bruckmuhl (Germany) for fruitful discussion within a collaborative project funded by the Bayerisches Wissenschaftsministerium (NW-0810-0002). Dr. Matthias Fichtl and Dr. Frank Girgsdies are acknowledged for performing the hydrogen chemisorption and XRD experiments. We thank Prof. Dr. Charlie Campbell for a fruitful discussion of the results. NR 52 TC 43 Z9 43 U1 48 U2 296 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1867-3880 EI 1867-3899 J9 CHEMCATCHEM JI ChemCatChem PD APR PY 2015 VL 7 IS 7 BP 1105 EP 1111 DI 10.1002/cctc.201500123 PG 7 WC Chemistry, Physical SC Chemistry GA CF3ZR UT WOS:000352488300010 ER PT J AU Murph, SEH Murphy, CJ Leach, A Gall, K AF Murph, Simona E. Hunyadi Murphy, Catherine J. Leach, Austin Gall, Kenneth TI A Possible Oriented Attachment Growth Mechanism for Silver Nanowire Formation SO CRYSTAL GROWTH & DESIGN LA English DT Article ID ONE-DIMENSIONAL NANOSTRUCTURES; WET CHEMICAL-SYNTHESIS; GOLD NANOPARTICLES; SPONTANEOUS ORGANIZATION; CITRATE REDUCTION; ROOM-TEMPERATURE; CRYSTAL-GROWTH; SHAPE CONTROL; ASPECT-RATIO; NANOCRYSTALS AB Electron microscopy studies suggest that silver nanowires prepared by an approach reported earlier by us (Caswell, K. K., Bender, C. M., Murphy, C. J. Nano Lett., 2003, 3, 667-669) form through a coarsening process via an oriented attachment mechanism. Initially, silver nucleation centers were produced by chemical reduction of silver ions in boiling water, with sodium citrate and sodium hydroxide as additives in solution. These nucleation centers, with a twinned crystallographic orientation, ultimately merge into fully grown silver nanowires. This is a completely different mechanism from the seed-mediated growth approach, which has also been used to produce silver nanowires. Companion molecular dynamics performed with the embedded atom method are in agreement with our experimental data. C1 [Murph, Simona E. Hunyadi] Savannah River Natl Lab, Aiken, SC 29808 USA. [Murph, Simona E. Hunyadi] Georgia Regents Univ, Dept Chem & Phys, Augusta, GA 30912 USA. [Murphy, Catherine J.] Univ Illinois, Dept Chem, Urbana, IL 61801 USA. [Leach, Austin; Gall, Kenneth] Georgia Inst Technol, Dept Mat Sci & Engn, Atlanta, GA 30332 USA. RP Murph, SEH (reprint author), Savannah River Natl Lab, Savannah River Site, Aiken, SC 29808 USA. EM Simona.Murph@srnl.doe.gov OI Murphy, Catherine/0000-0001-7066-5575 NR 63 TC 9 Z9 9 U1 9 U2 77 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1528-7483 EI 1528-7505 J9 CRYST GROWTH DES JI Cryst. Growth Des. PD APR PY 2015 VL 15 IS 4 BP 1968 EP 1974 DI 10.1021/acs.cgd.5b00123 PG 7 WC Chemistry, Multidisciplinary; Crystallography; Materials Science, Multidisciplinary SC Chemistry; Crystallography; Materials Science GA CF0PG UT WOS:000352246100052 ER PT J AU Rovinelli, A Lebensohn, RA Sangid, MD AF Rovinelli, Andrea Lebensohn, Ricardo A. Sangid, Michael D. TI Influence of microstructure variability on short crack behavior through postulated micromechanical short crack driving force metrics SO ENGINEERING FRACTURE MECHANICS LA English DT Article DE Microstructure variability; Short crack growth rate; Fatigue scatter; Crystal plasticity; Elasto-viscoplastic formulation ID FAST FOURIER-TRANSFORMS; TO-DUCTILE TRANSITION; HIGH-CYCLE FATIGUE; DISLOCATION NUCLEATION; NONLINEAR COMPOSITES; GRAIN-BOUNDARIES; NUMERICAL-METHOD; SINGLE-CRYSTALS; GROWTH; ORIENTATION AB In nature, variability in the short crack (SC) growth rate is observed in polycrystalline materials, in which the evolution and distribution of the local plasticity is strongly influenced by microstructural features. Sets of different microstructure realizations are constructed, simulated and analyzed using an elasto-viscoplastic crystal plasticity model, in order to investigate the influence of some microstructure parameters on SC behavior through postulated Micromechanical Short Crack Driving Force Metrics (MSCDFMs). The results of the analysis will identify a preferred MSCDFM and then, we will close the loop hypothesizing a relationship between microstructure variability, uncertainty in fatigue behavior prediction, and MDCFMs heterogeneity. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Rovinelli, Andrea; Sangid, Michael D.] Purdue Univ, Sch Aeronaut & Astronaut, W Lafayette, IN 47907 USA. [Rovinelli, Andrea] Alma Mater Studiorum Univ Bologna, Fac Ingn 2, I-47100 Forli, FC, Italy. [Lebensohn, Ricardo A.] Los Alamos Natl Lab, Mat Sci & Technol Div, Los Alamos, NM 87545 USA. RP Sangid, MD (reprint author), Purdue Univ, Sch Aeronaut & Astronaut, 701 W Stadium Ave, W Lafayette, IN 47907 USA. EM msangid@purdue.edu RI Lebensohn, Ricardo/A-2494-2008 OI Lebensohn, Ricardo/0000-0002-3152-9105 FU Air Force Office of Scientific Research [FA9550-14-1-0284]; Joint DoD/DOE Munitions Technology Programs FX The authors would like to thank Prof. Enrico Troiani for his help during the exchange program between University of Bologna and Purdue University. AR and MDS gratefully acknowledge funding from the Air Force Office of Scientific Research under Contract No. FA9550-14-1-0284. RAL acknowledges support from the Joint DoD/DOE Munitions Technology Programs. Also, the authors graciously acknowledge technical support and advice from the BlueQuartz Software team, Dr. Michael A. Groeber and Mr. Michael A. Jackson. NR 65 TC 2 Z9 2 U1 0 U2 11 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0013-7944 EI 1873-7315 J9 ENG FRACT MECH JI Eng. Fract. Mech. PD APR PY 2015 VL 138 BP 265 EP 288 DI 10.1016/j.engfracmech.2015.03.001 PG 24 WC Mechanics SC Mechanics GA CG0PA UT WOS:000352967300019 ER PT J AU El-Atwani, O Gonderman, S Suslov, S Efe, M De Temmerman, G Morgan, T Bystrov, K Hattar, K Allain, JP AF El-Atwani, O. Gonderman, S. Suslov, S. Efe, M. De Temmerman, G. Morgan, T. Bystrov, K. Hattar, K. Allain, J. P. TI Early stage damage of ultrafine-grained tungsten materials exposed to low energy helium ion irradiation SO FUSION ENGINEERING AND DESIGN LA English DT Article DE TEM; Irradiation; Tungsten; Fusion; Bubble formation ID PLASMA-FACING COMPONENTS; BUBBLE-GROWTH; SURFACE; IMPLANTATION; BOUNDARIES; MECHANISM; PROFILES; DIVERTOR; NIOBIUM AB Tungsten is considered as a plasma facing component in the divertor region of the International Thermonuclear Experiment Reactor (ITER). High flux, high fluence helium (He) exposure of tungsten surfaces induces severe morphology changes and nanostructure formation, which may eventually erode tungsten and risk the operation of the reactor. In this study, we investigate the response of ultrafine-grained tungsten under low flux (similar to 10(20) ions m(-2) s(-1)), low fluence, low energy (30-70 eV) He irradiation at different temperatures in order to study the early stage of nanostructure formation. Rod-shape nanostructures formed at low temperatures (600 degrees C) and a He fluence of 1 x 10(23) m(-2). High resolution, cross-section TEM images of irradiated grains demonstrated bubble formation not inside the nanostructures but deep inside the grains. At higher temperatures (900 degrees C) and the same fluence of 1 x 10(23) m(-2), large tungsten asperities (stone-shape and fiber-form structures), which are attributed to the burst and erosion of the surface grains. Moreover, low fluence (10(20) m(-2)-10(21) m(-2)) and high temperature (900 degrees C) irradiation demonstrated low density of non-coalesced bubbles inside the TEM samples. The results suggest that morphology changes can exist in He irradiated tungsten even with low bubble densities; thus, an additional factor such as surface stresses may dictate the observed nanostructure formation. (C) 2015 Elsevier B.V. All rights reserved. C1 [El-Atwani, O.; Gonderman, S.; Allain, J. P.] Purdue Univ, Sch Nucl Engn, W Lafayette, IN 47906 USA. [El-Atwani, O.; Efe, M.; Allain, J. P.] Purdue Univ, Sch Mat Engn, W Lafayette, IN 47906 USA. [El-Atwani, O.; Suslov, S.; Allain, J. P.] Purdue Univ, Birck Nanotechnol Ctr, W Lafayette, IN 47906 USA. [De Temmerman, G.; Morgan, T.; Bystrov, K.] FOM Inst DIFFER Dutch Inst Fundamental Energy Res, NL-3439 MN Nieuwegein, Netherlands. [Hattar, K.] Sandia Natl Labs, Dept Radiat Solid Interact, Albuquerque, NM 87185 USA. RP El-Atwani, O (reprint author), Drexel Univ, Dept Mat Sci & Engn, Philadelphia, PA 19104 USA. EM oelatwan@purdue.edu RI Suslov, Sergey/M-8390-2015; Morgan, Thomas/B-3789-2017; OI Morgan, Thomas/0000-0002-5066-015X; Allain, Jean Paul/0000-0003-1348-262X; El Atwani, Osman/0000-0002-1862-7018 FU U.S. Department of Energy [DE-SC0004032]; Stichting voor Fundamenteel Onderzoek der Materie (FOM) - Nederlandse Organisatie voor Wetenschappelijk Onderzoek (NWO); European Community; European Taskforce on Plasma-Wall Interactions; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors acknowledge Daniel Klenosky and Tian Qiu for the help in preparing the samples prior to irradiation. This research is supported by the U.S. Department of Energy's 2010 Early Career Award DE-SC0004032. The FOM authors are supported by the Stichting voor Fundamenteel Onderzoek der Materie (FOM), which is financially supported by the Nederlandse Organisatie voor Wetenschappelijk Onderzoek (NWO). The work is supported by the European Communities under the contract of Association between EURATOM and FOM and carried out within the framework of the European Fusion Program, and of the European Taskforce on Plasma-Wall Interactions. K. Hattar acknowledges the Division of Materials Science and Engineering, Office of Basic Energy Sciences, U.S. Department of Energy. Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. The authors would like to thank Professor Anter El-Azab for the helpful discussions. NR 32 TC 4 Z9 4 U1 5 U2 52 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0920-3796 EI 1873-7196 J9 FUSION ENG DES JI Fusion Eng. Des. PD APR PY 2015 VL 93 BP 9 EP 14 DI 10.1016/j.fusengdes.2015.02.001 PG 6 WC Nuclear Science & Technology SC Nuclear Science & Technology GA CG1AJ UT WOS:000353005100002 ER PT J AU Bao, J Xu, ZJ Fang, YL AF Bao, Jie Xu, Zhijie Fang, Yilin TI Uncertainty quantification for the reliability of the analytical analysis for the simplified model of CO2 geological sequestration SO GREENHOUSE GASES-SCIENCE AND TECHNOLOGY LA English DT Article DE CO2 sequestration; uncertainty quantification; calibration; analytical analysis ID CONSOLIDATION; DEFORMATION; INJECTION; PRESSURE; BOXPLOT; CAPROCK; IMPACT; MEDIA AB A hydromechanical model with analytical solutions including pressure evolution and geomechanical deformation for geological CO2 injection and sequestration were introduced in our previous work. However, the reliability and accuracy of the hydromechanical model and the companion analytical solution are uncertain because of the assumptions and simplifications in the analytical model, though it was validated by a few example cases. This study introduces a method to efficiently measure the accuracy of the analytical model and specify the range of acceptable input parameters that can guarantee the accuracy and reliability of the analytical solution. A coupled hydro-geomechanical subsurface transport simulator, Subsurface Transport over Multiple Phases (STOMP), was adopted as a reference to justify the reliability of the hydromechanical model and the analytical solution. A quasi-Monte Carlo sampling method was applied to efficiently sample the input parameter space. C1 [Bao, Jie] Pacific NW Natl Lab, Expt & Computat Engn Grp, Richland, WA 99352 USA. [Xu, Zhijie] Pacific NW Natl Lab, Computat Math Grp, Richland, WA 99352 USA. [Fang, Yilin] Pacific NW Natl Lab, Hydrol Grp, Richland, WA 99352 USA. RP Bao, J (reprint author), Pacific NW Natl Lab, Expt & Computat Engn Grp, Energy & Environm Directorate, Richland, WA 99352 USA. EM jie.bao@pnnl.gov RI Fang, Yilin/J-5137-2015; Xu, Zhijie/A-1627-2009 OI Xu, Zhijie/0000-0003-0459-4531 FU Pacific Northwest National Laboratory (PNNL) Carbon Sequestration Initiative, which is part of the PNNL Laboratory Directed Research and Development Program; US Department of Energy [DE-AC05-76RL01830] FX This research has been accomplished and funded through the Pacific Northwest National Laboratory (PNNL) Carbon Sequestration Initiative, which is part of the PNNL Laboratory Directed Research and Development Program. A portion of this research was performed using the resources of the PNNL Institutional Computing program. PNNL is operated by Battelle for the US Department of Energy under Contract DE-AC05-76RL01830. NR 30 TC 1 Z9 1 U1 0 U2 5 PU WILEY PERIODICALS, INC PI SAN FRANCISCO PA ONE MONTGOMERY ST, SUITE 1200, SAN FRANCISCO, CA 94104 USA SN 2152-3878 J9 GREENH GASES JI Greenh. Gases PD APR PY 2015 VL 5 IS 2 BP 141 EP 151 DI 10.1002/ghg.1436 PG 11 WC Energy & Fuels; Engineering, Environmental; Environmental Sciences SC Energy & Fuels; Engineering; Environmental Sciences & Ecology GA CF8LQ UT WOS:000352811900004 ER PT J AU Gardner, WP Hammond, G Lichtner, P AF Gardner, William P. Hammond, Glenn Lichtner, Peter TI High Performance Simulation of Environmental Tracers in Heterogeneous Domains SO GROUNDWATER LA English DT Article ID ADVECTIVE-DISPERSIVE SYSTEMS; TRANSIT-TIME DISTRIBUTIONS; RIO-GRANDE BASIN; GROUNDWATER AGE; HYDROCHEMICAL TRACERS; RESERVOIR THEORY; LIFE EXPECTANCY; AQUIFER SYSTEM; FLOW; USA AB In this study, we use PFLOTRAN, a highly scalable, parallel, flow, and reactive transport code to simulate the concentrations of H-3, He-3, CFC-11, CFC-12, CFC-113, SF6, Ar-39, and the mean groundwater age in heterogeneous fields on grids with an excess of 10 million nodes. We utilize this computational platform to simulate the concentration of multiple tracers in high-resolution, heterogeneous 2D and 3D domains, and calculate tracer-derived ages. Tracer-derived ages show systematic biases toward younger ages when the groundwater age distribution contains water older than the maximum tracer age. The deviation of the tracer-derived age distribution from the true groundwater age distribution increases with increasing heterogeneity of the system. However, the effect of heterogeneity is diminished as the mean travel time gets closer to the tracer age limit. Age distributions in 3D domains differ significantly from 2D domains. 3D simulations show decreased mean age, and less variance in age distribution for identical heterogeneity statistics. High-performance computing allows for investigation of tracer and groundwater age systematics in high-resolution domains, providing a platform for understanding and utilizing environmental tracer and groundwater age information in heterogeneous 3D systems. C1 [Gardner, William P.; Hammond, Glenn] Sandia Natl Labs, Albuquerque, NM 87115 USA. [Lichtner, Peter] OFM Res, Santa Fe, NM 87507 USA. RP Gardner, WP (reprint author), Sandia Natl Labs, Albuquerque, NM 87115 USA. EM wpgardn@sandia.gov NR 22 TC 4 Z9 4 U1 5 U2 13 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0017-467X EI 1745-6584 J9 GROUNDWATER JI Groundwater PD APR PY 2015 VL 53 SU 1 BP 71 EP 80 DI 10.1111/gwat.12148 PG 10 WC Geosciences, Multidisciplinary; Water Resources SC Geology; Water Resources GA CF7DE UT WOS:000352715600008 PM 24372403 ER PT J AU Han, D Lin, T Zhang, GQ Liu, YL Yu, Q AF Han, Dong Lin, Tao Zhang, Guoqiang Liu, Yilu Yu, Qiang TI SF6 Gas Decomposition Analysis under Point-to-plane 50 Hz AC Corona Discharge SO IEEE TRANSACTIONS ON DIELECTRICS AND ELECTRICAL INSULATION LA English DT Article DE AC corona discharge; SF6 decomposition; SF6 gaseous by-products; applied voltage effect; SF6 pressure effect ID RECOGNITION; OXIDATION; GLOW AB As one of the most commonly used insulating mediums, in electrical discharge, sulfur hexafluoride (SF6) will decompose in the presence of water vapor and oxygen, producing various gaseous by-products. It is shown that the concentrations and production rates of SF6 gaseous decomposition by-products heavily depend on electrical field to gas density ratio (E/N) under corona discharge. Regarding the difficulty in measuring E and N, applied voltage and the SF6 pressure, are proposed in this paper to describe E and N, respectively. Several experiments of 50-Hz AC discharges were carried out under different applied voltages and different SF6 pressures using point-to-plane electrodes. The concentrations of SF6 gaseous by-products were measured by a gas chromatograph-mass spectrometer system (GS/MS). Experimental data show that the concentrations of SF6 gaseous by-products increase while the ratio (SOF2+ SO2)/SO2F2 decreases, with increasing applied voltage. The concentrations decrease with increasing pressure of SF6. The formation mechanisms of SF6 gaseous by-products with the variations of applied voltage and the SF6 pressure are discussed, such as SO2F2, SOF2+ SO2, CF4, and CO2 and so on. An experimental expression is derived which connects the SF6 pressure with the concentration of the decomposition by-products. C1 [Han, Dong; Lin, Tao; Zhang, Guoqiang; Liu, Yilu] Chinese Acad Sci, Inst Elect Engn, Beijing 100190, Peoples R China. [Han, Dong; Lin, Tao; Zhang, Guoqiang; Liu, Yilu] Univ Chinese Acad Sci, Beijing 100049, Peoples R China. [Lin, Tao; Liu, Yilu] Univ Tennessee, Dept Elect Engn & Comp Sci, Knoxville, TN 37996 USA. [Lin, Tao; Liu, Yilu] Oak Ridge Natl Lab, Div Energy & Transportat Sci, Oak Ridge, TN 37831 USA. [Yu, Qiang] Qingdao Power Supply Co, Dept Operat & Maintenance, Qingdao 266002, Shandong, Peoples R China. RP Han, D (reprint author), Chinese Acad Sci, Inst Elect Engn, Beijing 100190, Peoples R China. FU NSFC [51007086, 51477162]; Foundation of the Institute of Electrical Engineering, Chinese Academy of Sciences; China Scholarship Council (CSC); DOE under NSF [EEC-1041877] FX This work is supported in part by NSFC (No. 51007086, 51477162), in part by the Foundation of the Institute of Electrical Engineering, Chinese Academy of Sciences. The authors gratefully acknowledge the financial support of the China Scholarship Council (CSC). This work also made use of Engineering Research Center Shared Facilities supported by the Engineering Research Center Program of the National Science Foundation and DOE under NSF Award Number EEC-1041877 and the CURENT Industry Partnership Program. NR 20 TC 1 Z9 1 U1 1 U2 14 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1070-9878 EI 1558-4135 J9 IEEE T DIELECT EL IN JI IEEE Trns. Dielectr. Electr. Insul. PD APR PY 2015 VL 22 IS 2 BP 799 EP 805 DI 10.1109/TDEI.2014.004495 PG 7 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA CF8GD UT WOS:000352793300021 ER PT J AU Li, LP Tang, J Liu, YL AF Li, Liping Tang, Ju Liu, Yilu TI Partial Discharge Recognition in Gas Insulated Switchgear Based on Multi-information Fusion SO IEEE TRANSACTIONS ON DIELECTRICS AND ELECTRICAL INSULATION LA English DT Article DE Gas Insulated Switchgear; partial discharge recognition; neural network; multi-information fusion; Dempster-Shafer evidence theory ID DECISION-MAKING; PD RECOGNITION; CLASSIFICATION; NETWORKS AB Partial discharge (PD) recognition is an important tool for online monitoring of gas insulated switchgear (GIS) and diagnosing existing defects. At present, there are two different types of data patterns used for analysis and evaluation of PD signals: phase resolved partial discharge (PRPD) mode and time resolved partial discharge (TRPD) mode. Using different types of data patterns separately can lead to inconsistent or even conflicted recognition results, but the two types of data patterns having complementary information between each other can be used together for data fusion. Dempster-Shafer (DS) evidence theory is introduced to address the problem of evidence conflict and low fusion efficiency. First, two sub-networks for PD recognition are established and compared employing the back propagation neural network (BPNN) learning algorithm under the two modes respectively. Secondly, to minimize (with possible elimination of) the possibility of misclassification, a new fusion decision-making system for PD recognition is proposed on the basis of fusing the results from the sub-networks. Finally, extensive field experiments on two artificial defects are conducted in order to evaluate the performance of the proposed method in this paper. The classification results reveal that the proposed method significantly outperforms the ways of using only single type of data patterns. The method proposed in this paper reduces the uncertainty and effectively improves the credibility of diagnosis. C1 [Li, Liping; Tang, Ju] Chongqing Univ, Sch Elect Engn, State Key Lab Power Transmiss Equipment & Syst Se, Chongqing 400044, Peoples R China. [Tang, Ju] Wuhan Univ, Sch Elect Engn, Wuhan 430072, Hubei, Peoples R China. [Liu, Yilu] Univ Tennessee, Dept Elect Engn & Comp Sci, Knoxville, TN 37996 USA. [Liu, Yilu] Oak Ridge Natl Lab, Div Energy & Transportat Sci, Oak Ridge, TN 37831 USA. RP Li, LP (reprint author), Chongqing Univ, Sch Elect Engn, State Key Lab Power Transmiss Equipment & Syst Se, Chongqing 400044, Peoples R China. FU National Program on Key Basic Research Project of China (973 Program) [2009CB724506]; China Scholarship Council (CSC) FX This work was supported by the National Program on Key Basic Research Project of China (973 Program) (2009CB724506). Also, the authors gratefully acknowledge the financial support of the China Scholarship Council (CSC). NR 19 TC 5 Z9 6 U1 2 U2 14 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1070-9878 EI 1558-4135 J9 IEEE T DIELECT EL IN JI IEEE Trns. Dielectr. Electr. Insul. PD APR PY 2015 VL 22 IS 2 BP 1080 EP 1087 DI 10.1109/TDEI.2014.004377 PG 8 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA CF8GD UT WOS:000352793300052 ER PT J AU Burleyson, CD Yuter, SE AF Burleyson, Casey D. Yuter, Sandra E. TI Subdiurnal Stratocumulus Cloud Fraction Variability and Sensitivity to Precipitation SO JOURNAL OF CLIMATE LA English DT Article ID SOUTHEAST PACIFIC STRATOCUMULUS; LOWER-TROPOSPHERIC STABILITY; MARINE BOUNDARY-LAYER; MESOSCALE CELLULAR CONVECTION; VOCALS-REX; DIURNAL-VARIATION; LARGE-SCALE; OPEN CELLS; MODEL; ATMOSPHERE AB This paper presents an analysis of subtropical marine stratocumulus cloud fraction variability using a 30-min and 3 degrees x 3 degrees cloud fraction dataset from 2003 to 2010. Each of the three subtropical marine stratocumulus regions has distinct diurnal characteristics, but the southeast (SE) Pacific and SE Atlantic are more similar to each other than to the northeast (NE) Pacific. The amplitude and season-to-season diurnal cycle variations are larger in the Southern Hemisphere regions than in the NE Pacific. Net overnight changes in cloud fraction on 3 degrees x 3 degrees scales are either positive or neutral >77% of the time in the NE Pacific and >88% of the time in the SE Pacific and SE Atlantic. Cloud fraction often increases to 100% by dawn when cloud fraction at dusk is >30%. In the SE Pacific and SE Atlantic, a typical decrease in cloud area (median <= -5.7 x 10(5) km(2)) during the day is equivalent to 25% or more of the annual-mean cloud deck area. Time series for 3 degrees x 3 degrees areas where cloud fraction was >= 90% sometime overnight and <60% at dawn, such as would result from nocturnal formation of pockets of open cells (POCs), only occur 1.5%, 1.6%, and 3.3% of the time in the SE Pacific, SE Atlantic, and NE Pacific, respectively. Comparison of cloud fraction changes to ship-based radar and satellite-derived precipitation intensity and area measurements shows a lack of sensitivity of cloud fraction to drizzle on time scales of 1-3 h and spatial scales of 100-300 km. C1 [Burleyson, Casey D.; Yuter, Sandra E.] N Carolina State Univ, Raleigh, NC 27695 USA. [Burleyson, Casey D.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Burleyson, CD (reprint author), Pacific NW Natl Lab, POB 999 MS K9-24, Richland, WA 99352 USA. EM casey.burleyson@pnnl.gov RI Yuter, Sandra/E-8808-2015; Burleyson, Casey/F-1833-2016 OI Yuter, Sandra/0000-0002-3222-053X; Burleyson, Casey/0000-0001-6218-9361 FU National Oceanic and Atmospheric Administration (NOAA)/Climate Program Office (CPO)/Climate Prediction Program for the Americas (CPPA) [GC09-252b]; Department of Energy Atmospheric Systems Research Grant [DE SC0006701]; National Aeronautics and Space Administration [NNX11AE98G]; NASA [NNX10AP43H]; DOE [DE-AC06-76RLO 1830] FX Special thanks are due to Simon de Szoeke, David Mechem, Matthew Miller, Matthew Parker, and Walter Robinson for their feedback and technical support. This work was funded by National Oceanic and Atmospheric Administration (NOAA)/Climate Program Office (CPO)/Climate Prediction Program for the Americas (CPPA) Grant GC09-252b, Department of Energy Atmospheric Systems Research Grant DE SC0006701, and National Aeronautics and Space Administration Grant NNX11AE98G. The lead author was supported in part by NASA Earth and Space Science Fellowship NNX10AP43H. The Pacific Northwest National Laboratory is operated for DOE by Battelle Memorial Institute under Contract DE-AC06-76RLO 1830. NR 64 TC 4 Z9 4 U1 1 U2 4 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 0894-8755 EI 1520-0442 J9 J CLIMATE JI J. Clim. PD APR PY 2015 VL 28 IS 8 BP 2968 EP 2985 DI 10.1175/JCLI-D-14-00648.1 PG 18 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA CF3ZI UT WOS:000352487300003 ER PT J AU Mei, R Ashfaq, M Rastogi, D Leung, LR Dominguez, F AF Mei, Rui Ashfaq, Moetasim Rastogi, Deeksha Leung, L. Ruby Dominguez, Francina TI Dominating Controls for Wetter South Asian Summer Monsoon in the Twenty-First Century SO JOURNAL OF CLIMATE LA English DT Article ID TIME-SLICE EXPERIMENT; INTERANNUAL VARIABILITY; ATMOSPHERIC MOISTURE; FUTURE CHANGES; CLIMATE-CHANGE; SIMULATED CHANGES; LAND; PRECIPITATION; CIRCULATION; MECHANISMS AB This paper analyzes a suite of global climate models from phase 5 of the Coupled Model Intercomparison Project (CMIP5) archives to understand the mechanisms behind a net increase in the South Asian summer monsoon precipitation in response to enhanced radiative forcing during the twenty-first century. An increase in radiative forcing fuels an increase in the atmospheric moisture content through warmer temperatures, which overwhelms the weakening of monsoon circulation and results in an increase of moisture convergence and therefore summer monsoon precipitation over South Asia. Moisture source analysis suggests that both regional (local recycling, the Arabian Sea, the Bay of Bengal) and remote (including the south Indian Ocean) sources contribute to the moisture supply for precipitation over South Asia during the summer season that is facilitated by the monsoon dynamics. For regional moisture sources, the effect of excessive atmospheric moisture is offset by weaker monsoon circulation and uncertainty in the response of the evapotranspiration over land, so anomalies in their contribution to the total moisture supply are either mixed or muted. In contrast, weakening of the monsoon dynamics has less influence on the moisture supply from remote sources that not only is a dominant moisture contributor in the historical period but is also the net driver of the positive summer monsoon precipitation response in the twenty-first century. The results also indicate that historic measures of the monsoon dynamics may not be well suited to predict the nonstationary moisture-driven South Asian summer monsoon precipitation response in the twenty-first century. C1 Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. Oak Ridge Natl Lab, Climate Change Sci Inst, Oak Ridge, TN 37831 USA. [Leung, L. Ruby] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. [Dominguez, Francina] Univ Arizona, Dept Atmospher Sci, Tucson, AZ USA. RP Mei, R (reprint author), Oak Ridge Natl Lab, POB 2008 MS 6301, Oak Ridge, TN 37831 USA. EM meir@ornl.gov RI Dominguez, Francina/D-4412-2012 FU Office of Science of the U.S. Department of Energy [DE-AC05-00OR22725]; Oak Ridge National Laboratory LDRD project [32112413]; DOE [DE-AC05-76RL01830]; Regional and Global Climate Modeling Program of the DOE's Office of Science FX Support for data storage and analysis is provided by the Oak Ridge Leadership Computing Facility at the Oak Ridge National Laboratory, which is supported by the Office of Science of the U.S. Department of Energy under Contract DE-AC05-00OR22725. We acknowledge the World Climate Research Programme's Working Group on Coupled Modeling, responsible for CMIP, and we thank the climate modeling groups (listed in Table 1 of this paper) for producing and making available their CMIP5 model output. We also thank the U.S. Department of Energy's Program for Climate Model Diagnosis and Intercomparison for providing coordinating support and leading development of software infrastructure in partnership with the Global Organization for Earth System Science Portals for CMIP. This work is supported by the Regional and Global Climate Modeling Program of the DOE's Office of Science and Oak Ridge National Laboratory LDRD project 32112413. Pacific Northwest National Laboratory is operated for the DOE by Battelle Memorial Institute under Contract DE-AC05-76RL01830. NR 40 TC 4 Z9 4 U1 2 U2 8 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 0894-8755 EI 1520-0442 J9 J CLIMATE JI J. Clim. PD APR PY 2015 VL 28 IS 8 BP 3400 EP 3419 DI 10.1175/JCLI-D-14-00355.1 PG 20 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA CF3ZI UT WOS:000352487300026 ER PT J AU Matteson, BS Hanson, SK Miller, JL Oldham, WJ AF Matteson, Brent S. Hanson, Susan K. Miller, Jeffrey L. Oldham, Warren J., Jr. TI Concurrent determination of Np-237 and Pu isotopes using ICP-MS: analysis of NIST environmental matrix standard reference materials 4357, 1646a, and 2702 SO JOURNAL OF ENVIRONMENTAL RADIOACTIVITY LA English DT Article DE Neptunium; Plutonium; ICP-MS; Radionuclides; Environmental soil analysis ID PLASMA-MASS SPECTROMETRY; IRISH SEA; PLUTONIUM; SEDIMENT; RADIONUCLIDES; SAMPLES; SYSTEM; OCEAN AB An optimized method was developed to analyze environmental soil and sediment samples for Np-237, Pu-239, and Pu-249 by ICP-MS using a Pu-242 isotope dilution standard. The high yield, short time frame required for analysis, and the commercial availability of the Pu-242 tracer are significant advantages of the method. Control experiments designed to assess method uncertainty, including variation in inter-element fractionation that occurs during the purification protocol, suggest that the overall precision for measurements of Np-237 is typically on the order of +/- 5%. Measurements of the Np-237 concentration in a Peruvian Soil blank (NIST SRM 4355) spiked with a known concentration of Np-237 tracer confirmed the accuracy of the method, agreeing well with the expected value. The method has been used to determine neptunium and plutonium concentrations in several environmental matrix standard reference materials available from NIST: SRM 4357 (Radioactivity Standard), SRM 1646a (Estuarine Sediment) and SRM 2702 (Inorganics in Marine Sediment). (C) 2015 Elsevier Ltd. All rights reserved. C1 [Matteson, Brent S.; Hanson, Susan K.; Miller, Jeffrey L.; Oldham, Warren J., Jr.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Oldham, WJ (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM woldham@lanl.gov FU U.S. Department of Energym by Los Alamos National Laboratory [DE-AC52-06NA25396]; Department of Defense's Defense Threat Reduction Agency; Laboratory Directed Research and Development Program FX This work was performed under the auspices of the U.S. Department of Energy by Los Alamos National Laboratory under contract DE-AC52-06NA25396. We thank the Department of Defense's Defense Threat Reduction Agency and the Laboratory Directed Research and Development Program for financial support. NR 21 TC 5 Z9 5 U1 1 U2 25 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0265-931X EI 1879-1700 J9 J ENVIRON RADIOACTIV JI J. Environ. Radioact. PD APR PY 2015 VL 142 BP 62 EP 67 DI 10.1016/j.jenvrad.2015.01.007 PG 6 WC Environmental Sciences SC Environmental Sciences & Ecology GA CG1AP UT WOS:000353005700009 PM 25644752 ER PT J AU Li, HY Leung, LR Getirana, A Huang, MY Wu, H Xu, YB Guo, JL Voisin, N AF Li, Hong-Yi Leung, L. Ruby Getirana, Augusto Huang, Maoyi Wu, Huan Xu, Yubin Guo, Jiali Voisin, Nathalie TI Evaluating Global Streamflow Simulations by a Physically Based Routing Model Coupled with the Community Land Model SO JOURNAL OF HYDROMETEOROLOGY LA English DT Article DE Water budget; Coupled models; Hydrologic models; Land surface model; Annual variations; Seasonal variability ID EARTH SYSTEM MODELS; AMAZON BASIN; WATER-BALANCE; SURFACE; RUNOFF; DISCHARGE; PRECIPITATION; DYNAMICS; RIVERS AB Accurately simulating hydrological processes such as streamflow is important in land surface modeling because they can influence other land surface processes, such as carbon cycle dynamics, through various interaction pathways. This study aims to evaluate the global application of a recently developed Model for Scale Adaptive River Transport (MOSART) coupled with the Community Land Model, version 4 (CLM4). To support the global implementation of MOSART, a comprehensive global hydrography dataset has been derived at multiple resolutions from different sources. The simulated runoff fields are first evaluated against the composite runoff map from the Global Runoff Data Centre (GRDC). The simulated streamflow is then shown to reproduce reasonably well the observed daily and monthly streamflow at over 1600 of the world's major river stations in terms of annual, seasonal, and daily flow statistics. The impacts of model structure complexity are evaluated, and results show that the spatial and temporal variability of river velocity simulated by MOSART is necessary for capturing streamflow seasonality and annual maximum flood. Other sources of the simulation bias include uncertainties in the atmospheric forcing, as revealed by simulations driven by four different climate datasets, and human influences, based on a classification framework that quantifies the impact levels of large dams on the streamflow worldwide. C1 [Li, Hong-Yi; Leung, L. Ruby; Huang, Maoyi; Xu, Yubin; Guo, Jiali; Voisin, Nathalie] Pacific NW Natl Lab, Richland, WA 99352 USA. [Getirana, Augusto; Wu, Huan] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. [Getirana, Augusto; Wu, Huan] Univ Maryland, Earth Syst Sci Interdisciplinary Ctr, College Pk, MD 20742 USA. RP Li, HY (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd,POB 999,MSIN K9-33, Richland, WA 99352 USA. EM hongyi.li@pnnl.gov RI Getirana, Augusto/G-4630-2011; Wu, Huan/K-1003-2013; Huang, Maoyi/I-8599-2012; Li, Hong-Yi/C-9143-2014; OI Wu, Huan/0000-0003-2920-8860; Huang, Maoyi/0000-0001-9154-9485; Li, Hong-Yi/0000-0001-5690-3610; Voisin, Nathalie/0000-0002-6848-449X FU Office of Science of the U.S. Department of Energy; PNNL Platform for Regional Integrated Modeling and Analysis (PRIMA) initiative; U.S. Department of Energy [DE-AC05-76RLO1830]; NASA Postdoctoral Program (NPP); NASA's Applied Science Program FX This study was supported by the Office of Science of the U.S. Department of Energy as part of the Earth System Modeling (ESM) and Integrated Assessment Modeling (IAM) programs. Development of the datasets used in this study is partly supported by the PNNL Platform for Regional Integrated Modeling and Analysis (PRIMA) initiative. The Pacific Northwest National Laboratory is operated by Battelle for the U.S. Department of Energy under Contract DE-AC05-76RLO1830. A. Getirana is funded by the NASA Postdoctoral Program (NPP) managed by Oak Ridge Associated Universities (ORAU). H. Wu is supported by NASA's Applied Science Program. The first author also wants to thank C. Nilsson and C. A. Reidy for providing the data of river system classification. NR 48 TC 5 Z9 5 U1 2 U2 11 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 1525-755X EI 1525-7541 J9 J HYDROMETEOROL JI J. Hydrometeorol. PD APR PY 2015 VL 16 IS 2 BP 948 EP 971 DI 10.1175/JHM-D-14-0079.1 PG 24 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA CF7KM UT WOS:000352735100031 ER PT J AU Cho, J Farson, DF Hollis, KJ Milewski, JO AF Cho, Jungho Farson, Dave F. Hollis, Kendall J. Milewski, John O. TI Numerical analysis of weld pool oscillation in laser welding SO JOURNAL OF MECHANICAL SCIENCE AND TECHNOLOGY LA English DT Article DE Laser; Welding; Weld pool; Oscillation; Simulation; VOF (Volume of fluid) ID DYNAMICS; KEYHOLE; ABSORPTIVITY; TEMPERATURE; PRESSURE; BEAM AB Volume of fluid (VOF) numerical simulation was used to investigate melt flow and volumetric oscillation of conduction-mode pulsed laser weld pools. The result is compared to high speed video stream of titanium laser spot welding experiment. The total simulation time is 10ms with the first 5 ms being heating and melting under constant laser irradiation and the remaining 5 ms corresponding to re-solidification of the weld pool. During the melting process, the liquid pool did not exhibit periodic oscillation but was continually depressed by the evaporation recoil pressure. After the laser pulse, the weld pool was excited into volumetric oscillation by the release of pressure on its surface and oscillation of the weld pool surface was analyzed. The simulation model suggested adjusting thermal diffusivity to match cooling rate and puddle diameter during solidification which is distinguishable from previous weld pool simulation. The frequency continuously increased from several thousand cycles per second to tens of thousands of cycles per second as the weld pool solidified and its diameter decreased. The result is the first trial of investigation of small weld pool oscillation in laser welding although there have been several reports about arc welding. C1 [Cho, Jungho] Chungbuk Natl Univ, Sch Mech Engn, Cheongju 362763, South Korea. [Farson, Dave F.] Ohio State Univ, IWSE, Columbus, OH 43221 USA. [Hollis, Kendall J.; Milewski, John O.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Cho, J (reprint author), Chungbuk Natl Univ, Sch Mech Engn, Cheongju 362763, South Korea. EM junghocho@cbnu.ac.kr FU Basic Science Research Program through the National Research Foundation of Korea (NRF) - Ministry of Science, ICT and Future Planning [2012R1A1A1012487] FX This research was supported by Basic Science Research Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Science, ICT and Future Planning (Grant No. 2012R1A1A1012487). NR 29 TC 2 Z9 3 U1 6 U2 29 PU KOREAN SOC MECHANICAL ENGINEERS PI SEOUL PA KSTC NEW BLD. 7TH FLOOR, 635-4 YEOKSAM-DONG KANGNAM-KU, SEOUL 135-703, SOUTH KOREA SN 1738-494X EI 1976-3824 J9 J MECH SCI TECHNOL JI J. Mech. Sci. Technol. PD APR PY 2015 VL 29 IS 4 BP 1715 EP 1722 DI 10.1007/s12206-015-0344-2 PG 8 WC Engineering, Mechanical SC Engineering GA CF6SD UT WOS:000352685600044 ER PT J AU Li, J Nakayasu, ES Overall, CC Johnson, RC Kidwai, AS McDermott, JE Ansong, C Heffron, F Cambronne, ED Adkins, JN AF Li, Jie Nakayasu, Ernesto S. Overall, Christopher C. Johnson, Rudd C. Kidwai, Afshan S. McDermott, Jason E. Ansong, Charles Heffron, Fred Cambronne, Eric D. Adkins, Joshua N. TI Global Analysis of Salmonella Alternative Sigma Factor E on Protein Translation SO JOURNAL OF PROTEOME RESEARCH LA English DT Article DE Salmonella; sigma factor E; proteomics; transolptomics; post-transcriptional regulation; infection; virulence ID ENTERICA SEROVAR TYPHIMURIUM; MESSENGER-RNA DECAY; ESCHERICHIA-COLI; EXTRACYTOPLASMIC STRESS; GENE-EXPRESSION; ACCURATE MASS; VIRULENCE; REGULON; SYSTEM; HFQ AB The alternative sigma factor E (sigma(E)) is critical for response to extracytoplasmic stress in Salmonella. Extensive studies have been conducted on sigma(E)-regulated gene expression, particularly at the transcriptional level. Increasing evidence suggests however that sigma(E) may indirectly participate in post-transcriptional regulation. In this study, we conducted sample-matched global proteomic and transcriptomic analyses to determine the level of regulation mediated by sigma(E) in Salmonella. Samples were analyzed from wild-type and isogenic rpoE mutant Salmonella cultivated in three different conditions: nutrient-rich and conditions that mimic early and late intracellular infection. We found that 30% of the observed proteome was regulated by sigma(E) combining all three conditions. In different growth conditions, sigma(E) affected the expression of a broad spectrum of Salmonella proteins required for miscellaneous functions. Those involved in transport and binding, protein synthesis, and stress response were particularly highlighted. By comparing transcriptomic and proteomic data, we identified genes post-transcriptionally regulated by sigma(E) and found that post-transcriptional regulation was responsible for a majority of changes observed in the sigma(E)-regulated proteome. Further, comparison of transcriptomic and proteomic data from hfq mutant of Salmonella demonstrated that sigma(E)-mediated post-transcriptional regulation was partially dependent on the RNA-binding protein Hfq. C1 [Li, Jie; Johnson, Rudd C.; Kidwai, Afshan S.; Heffron, Fred; Cambronne, Eric D.] Oregon Hlth & Sci Univ, Dept Mol Microbiol & Immunol, Portland, OR 97239 USA. [Nakayasu, Ernesto S.; Overall, Christopher C.; McDermott, Jason E.; Ansong, Charles; Adkins, Joshua N.] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. RP Adkins, JN (reprint author), Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. EM Adkins@pnnl.gov OI Overall, Christopher/0000-0001-6404-5521 FU NIH National Institute of General Medical Sciences [GM094623]; National Institute of Allergy and Infectious Diseases NIH/DHHS [Y1-AI-8401]; NIH NIGMS [8 P41 GM103493]; U.S. Genome Sciences Program under the Pan-omics project; DOE [DE-AC05-76RLO01830] FX This research was supported by the NIH National Institute of General Medical Sciences (GM094623) and National Institute of Allergy and Infectious Diseases NIH/DHHS through Interagency agreement Y1-AI-8401. This work benefited from the investments in technology development from NIH NIGMS Grant No. 8 P41 GM103493 and the U.S. Genome Sciences Program under the Pan-omics project. Portions of this work were performed in the Environmental Molecular Science Laboratory, a U.S. Department of Energy (DOE) national scientific user facility at Pacific Northwest National Laboratory (PNNL) in Richland, WA. Battelle operates PNNL for the DOE under Contract No. DE-AC05-76RLO01830. NR 53 TC 3 Z9 3 U1 2 U2 8 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1535-3893 EI 1535-3907 J9 J PROTEOME RES JI J. Proteome Res. PD APR PY 2015 VL 14 IS 4 BP 1716 EP 1726 DI 10.1021/pr5010423 PG 11 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA CF3QJ UT WOS:000352463300007 PM 25686268 ER PT J AU Tarasevich, BJ Philo, JS Maluf, NK Krueger, S Buchko, GW Lin, GY Shaw, WJ AF Tarasevich, Barbara J. Philo, John S. Maluf, Nasib Karl Krueger, Susan Buchko, Garry W. Lin, Genyao Shaw, Wendy J. TI The leucine-rich amelogenin protein (LRAP) is primarily monomeric and unstructured in physiological solution SO JOURNAL OF STRUCTURAL BIOLOGY LA English DT Article DE Amelogenin; LRAP; Enamel; Nanosphere; Biomineralization ID DYNAMIC LIGHT-SCATTERING; PEPTIDE INDUCES OSTEOGENESIS; MINERALIZATION IN-VITRO; ENAMEL MATRIX PROTEINS; BONE SIALOPROTEIN; CRYSTAL-GROWTH; DIFFERENTIATION; HYDROXYAPATITE; PHENOTYPE; IDENTIFICATION AB Amelogenin proteins are critical to the formation of enamel in teeth and may have roles in controlling growth and regulating microstructures of the intricately woven hydroxyapatite (HAP). Leucine-rich amelogenin protein (LRAP) is a 59-residue splice variant of amelogenin and contains the N- and C-terminal charged regions of the full-length protein thought to control crystal growth. Although the quaternary structure of full-length amelogenin in solution has been well studied and can consist of self-assemblies of monomers called nanospheres, there is limited information on the quaternary structure of LRAP. Here, sedimentation velocity analytical ultracentrifugation (SV) and small angle neutron scattering (SANS) were used to study the tertiary and quaternary structure of LRAP at various pH values, ionic strengths, and concentrations. We found that the monomer is the dominant species of phosphorylated LRAP (LRAP(+P)) over a range of solution conditions (pH 2.7-4.1, pH 4.5-8, 50 mmol/L(mM) to 200 mM NaCl, 0.065-2 mg/mL). The monomer is also the dominant species for unphosphorylated LRAP (LRAP( P)) at pH 7.4 and for LRAP(+P) in the presence of 2.5 mM calcium at pH 7.4. LRAP aggregates in a narrow pH range near the isoelectric point of pH 4.1. SV and SANS show that the LRAP monomer has a radius of similar to 2.0 nm and an asymmetric structure, and solution NMR studies indicate that the monomer is largely unstructured. This work provides new insights into the secondary, tertiary, and quaternary structure of LRAP in solution and provides evidence that the monomeric species may be an important functional form of some amelogenins. (C) 2014 Elsevier Inc. All rights reserved. C1 [Tarasevich, Barbara J.; Buchko, Garry W.; Shaw, Wendy J.] Pacific NW Natl Lab, Richland, WA 99354 USA. [Philo, John S.; Maluf, Nasib Karl] Alliance Prot Labs Inc, San Diego, CA 92121 USA. [Krueger, Susan] NIST, Gaithersburg, MD 20899 USA. [Lin, Genyao] WSP Chem & Technol LLC, Leetsdale, PA 15056 USA. RP Tarasevich, BJ (reprint author), Pacific NW Natl Lab, Richland, WA 99354 USA. RI Buchko, Garry/G-6173-2015 OI Buchko, Garry/0000-0002-3639-1061 FU NIH-NIDCR [DE-015347]; DOE-OBER at PNNL; EPSRC [EP/K039121/1]; NSF [CHE-1265821] FX This work was supported by NIH-NIDCR Grant DE-015347 (PNNL) and was performed in part at Pacific Northwest National Laboratory, operated by Battelle for the US-DOE. A portion of the research was performed in the EMSL, a national scientific user facility sponsored by the DOE-OBER at PNNL. The SANS studies benefitted from CCP-SAS software developed by Joseph Curtis through a joint EPSRC (EP/K039121/1) and NSF (CHE-1265821) grant. NR 67 TC 3 Z9 3 U1 0 U2 16 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 1047-8477 EI 1095-8657 J9 J STRUCT BIOL JI J. Struct. Biol. PD APR PY 2015 VL 190 IS 1 BP 81 EP 91 DI 10.1016/j.jsb.2014.10.007 PG 11 WC Biochemistry & Molecular Biology; Biophysics; Cell Biology SC Biochemistry & Molecular Biology; Biophysics; Cell Biology GA CG0ZX UT WOS:000353003900009 PM 25449314 ER PT J AU Alvarez, CJ Leonard, RL Gray, SK Johnson, JA Petford-Long, AK AF Alvarez, Carlos J. Leonard, Russell L. Gray, Sharon K. Johnson, Jacqueline A. Petford-Long, Amanda K. TI Structural and Kinetic Analysis of BaCl2 Nanocrystals in Fluorochlorozirconate Glass-Ceramics SO JOURNAL OF THE AMERICAN CERAMIC SOCIETY LA English DT Article ID OPTICAL-PROPERTIES; STORAGE PHOSPHORS; CRYSTALLIZATION; SCINTILLATORS; MAMMOGRAPHY; CHLORIDE; BABR2; PHASE; BAI2 AB The presence of BaCl2 nanocrystals and the crystallographic phase that they adopt controls the optical behavior of fluorochlorozirconate glass-ceramics. We have used in situ X-ray diffraction heating experiments and ex situ transmission electron microscopy to follow the BaCl2 nanocrystal nucleation and growth processes as a function of heating rate and isothermal hold temperature. The BaCl2 nanocrystals nucleate with the hexagonal crystal structure and grow as spherical particles to a size of similar to 10 to 20nm. They then undergo a structural transformation to the orthorhombic phase and their shape changes to rounded disks, with diameters ranging from 150 to 250nm, and thicknesses ranging from 80 to 120nm. The change in size results from Ostwald ripening of the hexagonal BaCl2 nanocrystals to form the orthorhombic BaCl2 nanocrystals. C1 [Alvarez, Carlos J.; Petford-Long, Amanda K.] Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA. [Alvarez, Carlos J.; Petford-Long, Amanda K.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Leonard, Russell L.; Gray, Sharon K.; Johnson, Jacqueline A.] Univ Tennessee, Inst Space, Mech Aerosp & Biomed Engn Dept, Tullahoma, TN 37388 USA. RP Alvarez, CJ (reprint author), Northwestern Univ, Dept Mat Sci & Engn, 2220 Campus Dr,Cook Hall Room 2036, Evanston, IL 60208 USA. EM cja@u.northwestern.edu RI Johnson, Jacqueline/P-4844-2014 OI Johnson, Jacqueline/0000-0003-0830-9275 FU National Science Foundation [DMR-1001381]; E.I. DuPont de Nemours Co.; Dow Chemical Company; Northwestern University; UChicago Argonne, LLC. [DE-AC02-06CH11357]; Argonne, a U.S. Department of Energy Office of Science laboratory [DE-AC02-06CH11357] FX The authors thank the National Science Foundation for their support under grant no. DMR-1001381. The authors thank Dr. Denis T. Keane for his assistance performing the portions of this work at the DuPont-Northwestern-Dow Collaborative Access Team (DND-CAT) located at Sector 5 of the Advanced Photon Source (APS). DND-CAT is supported by E.I. DuPont de Nemours & Co., The Dow Chemical Company and Northwestern University. We acknowledge use of the Electron Microscopy Center for Materials Research, the Center for Nanoscale Materials, and the APS at Argonne National Laboratory, a U.S. Department of Energy Office of Science Laboratory operated under Contract No. DE-AC02-06CH11357 by UChicago Argonne, LLC. The submitted manuscript has been created by UChicago Argonne, LLC, Operator of Argonne National Laboratory ("Argonne"). Argonne, a U.S. Department of Energy Office of Science laboratory, is operated under Contract No. DE-AC02-06CH11357. The U.S. Government retains for itself, and others acting on its behalf, a paid-up nonexclusive, irrevocable worldwide license in said article to reproduce, prepare derivative works, distribute copies to the public, and perform publicly and display publicly, by or on behalf of the Government. NR 33 TC 2 Z9 2 U1 5 U2 23 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0002-7820 EI 1551-2916 J9 J AM CERAM SOC JI J. Am. Ceram. Soc. PD APR PY 2015 VL 98 IS 4 BP 1099 EP 1104 DI 10.1111/jace.13410 PG 6 WC Materials Science, Ceramics SC Materials Science GA CF5ZD UT WOS:000352635100011 ER PT J AU Maram, PS Ushakov, SV Weber, RJK Benmore, CJ Navrotsky, A AF Maram, Pardha S. Ushakov, Sergey V. Weber, Richard J. K. Benmore, Chris J. Navrotsky, Alexandra TI In Situ Diffraction from Levitated Solids Under Extreme Conditions-Structure and Thermal Expansion in the Eu2O3-ZrO2 System SO JOURNAL OF THE AMERICAN CERAMIC SOCIETY LA English DT Article ID PYROCHLORE STRUCTURE; RADIATION TOLERANCE; IONIC-CONDUCTIVITY; RAMAN-SPECTROSCOPY; FLUORITE STRUCTURE; OXIDES; DISORDER; TRANSFORMATION; TEMPERATURE; CERAMICS AB The accurate determination of structure and thermal expansion of refractory materials at temperatures above 1500 degrees C is challenging. Here, for the first time, we demonstrate the ability to reliably refine the structure and thermal expansion coefficient of oxides at temperatures to 2200 degrees C using in situ synchrotron diffraction coupled with aerodynamic levitation. Solid solutions in the Eu2O3-ZrO2 binary system were investigated, including the high-temperature order-disorder transformation in Eu2Zr2O7. The disordered fluorite phase is found to be stable above 1900 degrees C, and a reversible phase transition to the pyrochlore phase is noticed during cooling. Site occupancies in Eu2Zr2O7 show a gradual increase in disorder on both cation and anion sublattices with increasing temperature. The thermal expansion coefficients of all cubic solid solutions are relatively similar, falling in the range 8.6-12.0x10(-6)C(-1). These studies open new vistas for in situ exploration of complex structural changes in high-temperature materials. C1 [Maram, Pardha S.; Ushakov, Sergey V.; Navrotsky, Alexandra] Univ Calif Davis, Peter A Rock Thermochem Lab, Chem Annex, Davis, CA 95616 USA. [Maram, Pardha S.; Ushakov, Sergey V.; Navrotsky, Alexandra] Univ Calif Davis, Neat ORU, Chem Annex, Davis, CA 95616 USA. [Weber, Richard J. K.] Mat Dev Inc, Arlington Hts, IL 60004 USA. [Weber, Richard J. K.; Benmore, Chris J.] Argonne Natl Lab, Xray Sci Div, Adv Photon Source, Argonne, IL 60439 USA. RP Navrotsky, A (reprint author), Univ Calif Davis, Peter A Rock Thermochem Lab, Chem Annex, One Shields Ave 4415, Davis, CA 95616 USA. EM anavrotsky@ucdavis.edu OI Maram, Pardha Saradhi/0000-0002-1726-5086; Benmore, Chris/0000-0001-7007-7749 FU U.S. Department of Energy, Office of Basic Energy Sciences [DEFG02-03ER46053]; DOE [DE-ACO2-06CH11357] FX This work was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, grant DEFG02-03ER46053. Use of the Advanced Photon Source (APS), an Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory, was supported by the DOE under contract no. DE-ACO2-06CH11357. The authors are indebted to Lawrie Skinner for the help with data collection at 11-ID-C at APS. NR 43 TC 5 Z9 5 U1 1 U2 22 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0002-7820 EI 1551-2916 J9 J AM CERAM SOC JI J. Am. Ceram. Soc. PD APR PY 2015 VL 98 IS 4 BP 1292 EP 1299 DI 10.1111/jace.13422 PG 8 WC Materials Science, Ceramics SC Materials Science GA CF5ZD UT WOS:000352635100039 ER PT J AU Yang, TF Taylor, CA Wang, CX Zhang, YW Weber, WJ Xiao, JR Xue, JM Yan, S Wang, YG AF Yang, Tengfei Taylor, Caitlin A. Wang, Chenxu Zhang, Yanwen Weber, William J. Xiao, Jingren Xue, Jianming Yan, Sha Wang, Yugang TI Effects of He Irradiation on Yttria-Stabilized Zirconia Ceramics SO JOURNAL OF THE AMERICAN CERAMIC SOCIETY LA English DT Article ID NUCLEAR-REACTION ANALYSIS; ION IRRADIATION; CUBIC ZIRCONIA; HELIUM MIGRATION; NANOCRYSTALLINE ZIRCONIA; DAMAGE EVOLUTION; RADIATION-DAMAGE; SINGLE-CRYSTALS; INERT MATRIX; DIFFUSION AB Effects of He irradiation on polycrystalline yttria-stabilized zirconia (YSZ) are studied with the focus on irradiation-induced damage buildup, He behavior, and volume swelling. The evolution of irradiation-induced structural damage in polycrystalline YSZ, which is independent of grain orientation, is described by a multistep damage accumulation model. A three-step damage evolution process was found, and different types of defects were observed in the different damage steps. Compared with single-crystal YSZ, the second damage step occurs at a lower dose in polycrystalline YSZ due to the initial defects and strain. The implanted He ions are readily trapped along the grain boundaries and the mobility of He ions is greatly increased. The enhanced He mobility along the grain boundary leads to a lower threshold irradiation dose and a larger penetration depth for bubble formation. Similar morphologies are observed for the He bubbles in the polycrystalline YSZ and in single-crystal YSZ, and the formation of He bubbles in polycrystalline YSZ is not influenced by grain orientation. As both the extended defects and He bubbles can induce volume swelling, the variation in volume swelling as a function of dose can be divided into a two stage process. C1 [Yang, Tengfei; Wang, Chenxu; Xiao, Jingren; Xue, Jianming; Yan, Sha; Wang, Yugang] Peking Univ, Ctr Appl Phys & Technol, State Key Lab Nucl Phys & Technol, Beijing 100871, Peoples R China. [Taylor, Caitlin A.; Zhang, Yanwen; Weber, William J.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Zhang, Yanwen; Weber, William J.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Xiao, JR (reprint author), Peking Univ, Ctr Appl Phys & Technol, State Key Lab Nucl Phys & Technol, Beijing 100871, Peoples R China. EM ygwang@pku.edu.cn RI Weber, William/A-4177-2008 OI Weber, William/0000-0002-9017-7365 FU Ministry of Science and Technology of China [2010CB832904]; National Natural Science Foundation of China [11335003, 91323105]; Fundamental Research Funds for the Central Universities; DOE Office of Nuclear Energy University programs at University of Tennessee (UT); Center for Materials Processing at UT; China Scholarship Council (CSC) overseas scholarship program FX This work was partially supported by the Ministry of Science and Technology of China (2010CB832904) and National Natural Science Foundation of China (11335003, 91323105), Fundamental Research Funds for the Central Universities. Tengfei Yang was supported by the China Scholarship Council (CSC) overseas scholarship program. Yanwen Zhang and William J. Weber are supported by the DOE Office of Nuclear Energy University programs at University of Tennessee (UT). Caitlin A. Taylor is supported by Center for Materials Processing at UT. NR 54 TC 2 Z9 2 U1 4 U2 24 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0002-7820 EI 1551-2916 J9 J AM CERAM SOC JI J. Am. Ceram. Soc. PD APR PY 2015 VL 98 IS 4 BP 1314 EP 1322 DI 10.1111/jace.13423 PG 9 WC Materials Science, Ceramics SC Materials Science GA CF5ZD UT WOS:000352635100042 ER PT J AU Yan, ZL Guillon, O Martin, CL Wang, S Lee, CS Charlot, F Bouvard, D AF Yan, Zilin Guillon, Olivier Martin, Christophe L. Wang, Steve Lee, Chul-Seung Charlot, Frederic Bouvard, Didier TI Correlative Studies on Sintering of Ni/BaTiO3 Multilayers Using X-ray Computed Nanotomography and FIB-SEM Nanotomograhy SO JOURNAL OF THE AMERICAN CERAMIC SOCIETY LA English DT Article ID ALUMINA-LAYERED COMPOSITES; FOCUSED ION-BEAM; FILMS; MICROSTRUCTURES; EVOLUTION; DEFORMATION; TEMPERATURE; TOMOGRAPHY; SUBSTRATE AB Synchrotron X-ray computed nanotomography (nCT) and Focused Ion Beam-Scanning Electron Microscope nanotomography (FIB-nT) were used to characterize baked-out and sintered nickel (Ni) electrode-Multilayer Ceramic Capacitors. The three-dimensional microstructures obtained by two different tomography techniques were quantified and correlated. X-ray nCT is sufficient to reveal the pore characteristics, whereas the FIB-nT enables the particles in the initial packings to be identified. In the dielectric ceramic layers, pores preferentially orient horizontally in the layer and the regions near the Ni/BT interface are denser than the inner regions. This anisotropy is possibly caused by compressive stress induced during the heating stage. C1 [Yan, Zilin; Martin, Christophe L.; Bouvard, Didier] Univ Grenoble Alpes, CNRS, SIMaP, F-38000 Grenoble, France. [Yan, Zilin] Tech Univ Darmstadt, Dept Mat Sci, D-64287 Darmstadt, Germany. [Guillon, Olivier] Univ Jena, Otto Schott Inst Mat Res, D-07743 Jena, Germany. [Wang, Steve] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Lee, Chul-Seung] Samsung Electromech, LCR Div, Suwon 443743, South Korea. [Charlot, Frederic] Univ Grenoble Alpes, CMTC, F-38000 Grenoble, France. RP Guillon, O (reprint author), Univ Jena, Otto Schott Inst Mat Res, D-07743 Jena, Germany. EM o.guillon@fz-juelich.de OI Randall, Clive/0000-0002-5478-2699; Yan, Zilin/0000-0001-5690-7881 FU IDS-FUNMAT Program of the European Commission; U.S. Department of Energy, Office of Sciences, Office of Basic Energy Sciences [W-31-109-Eng-38]; Deutsche Forschungsgemeinschaft (DFG) [INST 275/241-1 FUGG]; Thuringer Ministerium fur Bildung, Wissenschaft und Kultur (TMBWK) [62-4264925/1/10/1/01] FX Financial support from IDS-FUNMAT Program of the European Commission is kindly acknowledged. Use of the Advanced Photon Source was supported by the U.S. Department of Energy, Office of Sciences, Office of Basic Energy Sciences, under Contract No. W-31-109-Eng-38. We gratefully acknowledge the partial financial support of the Deutsche Forschungsgemeinschaft (DFG), grant reference INST 275/241-1 FUGG, and the Thuringer Ministerium fur Bildung, Wissenschaft und Kultur (TMBWK), grant reference 62-4264925/1/10/1/01. NR 31 TC 1 Z9 1 U1 3 U2 26 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0002-7820 EI 1551-2916 J9 J AM CERAM SOC JI J. Am. Ceram. Soc. PD APR PY 2015 VL 98 IS 4 BP 1338 EP 1346 DI 10.1111/jace.13416 PG 9 WC Materials Science, Ceramics SC Materials Science GA CF5ZD UT WOS:000352635100045 ER PT J AU Pal, S Zhang, YG Kumar, SK Gang, O AF Pal, Suchetan Zhang, Yugang Kumar, Sanat K. Gang, Oleg TI Dynamic Tuning of DNA-Nanoparticle Superlattices by Molecular Intercalation of Double Helix SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID CRYSTALLIZATION; BINDING AB Nanoparticle (NP) assembly using DNA recognition has emerged as a powerful tool for the fabrication of 3D superlattices. In addition to the vast structural diversity, this approach provides an avenue for dynamic 3D NP assembly, which is promising for the modulation of interparticle distances and, hence, for example, for in situ tuning of optical properties. While several approaches have been explored for changing NP separations in the lattices using responsiveness of single-stranded DNA (ss-DNA), far less work has been done for the manipulation of most abundant double-stranded DNA (ds-DNA) motifs. Here, we present a novel strategy for modulation of interparticle distances in DNA linked 3D self-assembled NP lattices by molecular intercalator. We utilize ethidium bromide (EtBr) as a model intercalator to demonstrate selective and isotropic lattice expansion for three superlattice types (bcc, fcc, and AlB2) due to the intercalation of ds-DNA linking NPs. We further show the reversibility of the lattice parameter using n-butanol as a retrieving agent as well as an increased lattice thermal stability by 12-14 degrees C due to the inclusion of EtBr. The proposed intercalator-based strategy permits the creation of reconfigurable and thermally stable superlattices, which could lead to tunable and functionally responsive materials. C1 [Pal, Suchetan; Kumar, Sanat K.] Columbia Univ, Dept Chem Engn, New York, NY 10027 USA. [Pal, Suchetan; Zhang, Yugang; Gang, Oleg] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Gang, O (reprint author), Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. EM ogang@bnl.gov FU U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02- 98CH10886]; US Department of Energy (DOE), Office of Basic Energy Sciences (BES), Division of Materials Science and Engineering [DE-FG02-12ER46909] FX This research was carried out at the Center for Functional Nanomaterials (CFN) and the National Synchrotron Light Source (NSLS), Brookhaven National Laboratory, by the U.S. Department of Energy, Office of Basic Energy Sciences, under contract no. DE-AC02- 98CH10886. S.P. and S.K.K. were supported by the US Department of Energy (DOE), Office of Basic Energy Sciences (BES), Division of Materials Science and Engineering under Award DE-FG02-12ER46909. NR 26 TC 11 Z9 11 U1 8 U2 49 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD APR 1 PY 2015 VL 137 IS 12 BP 4030 EP 4033 DI 10.1021/ja512799d PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA CF0OT UT WOS:000352244800007 PM 25751093 ER PT J AU Dewji, S Bellamy, M Hertel, N Leggett, R Sherbini, S Saba, M Eckerman, K AF Dewji, S. Bellamy, M. Hertel, N. Leggett, R. Sherbini, S. Saba, M. Eckerman, K. TI Estimated dose rates to members of the public from external exposure to patients with I-131 thyroid treatment SO MEDICAL PHYSICS LA English DT Article DE I-131; thyroid; differentiated thyroid cancer; hyperthyroidism; public risk ID PROTECTION AB Purpose: Estimated dose rates that may result from exposure to patients who had been administered iodine-131 (I-131) as part of medical therapy were calculated. These effective dose rate estimates were compared with simplified assumptions under United States Nuclear Regulatory Commission Regulatory Guide 8.39, which does not consider body tissue attenuation nor time-dependent redistribution and excretion of the administered I-131. Methods: Dose rates were estimated for members of the public potentially exposed to external irradiation from patients recently treated with I-131. Tissue attenuation and iodine biokinetics were considered in the patient in a larger comprehensive effort to improve external dose rate estimates. The external dose rate estimates are based on Monte Carlo simulations using the Phantom with Movable Arms and Legs (PIMAL), previously developed by Oak Ridge National Laboratory and the United States Nuclear Regulatory Commission. PIMAL was employed to model the relative positions of the I-131 patient and members of the public in three exposure scenarios: (1) traveling on a bus in a total of six seated or standing permutations, (2) two nursing home cases where a caregiver is seated at 30 cm from the patient's bedside and a nursing home resident seated 250 cm away from the patient in an adjacent bed, and (3) two hotel cases where the patient and a guest are in adjacent rooms with beds on opposite sides of the common wall, with the patient and guest both in bed and either seated back-to-back or lying head to head. The biokinetic model predictions of the retention and distribution of I-131 in the patient assumed a single voiding of urinary bladder contents that occurred during the trip at 2, 4, or 8 h after I-131 administration for the public transportation cases, continuous first-order voiding for the nursing home cases, and regular periodic voiding at 4, 8, or 12 h after administration for the hotel room cases. Organ specific activities of I-131 in the thyroid, bladder, and combined remaining tissues were calculated as a function of time after administration. Exposures to members of the public were considered for I-131 patients with normal thyroid uptake (peak thyroid uptake of similar to 27% of administered I-131), differentiated thyroid cancer (DTC, 5% uptake), and hyperthyroidism (80% uptake). Results: The scenario with the patient seated behind the member of the public yielded the highest dose rate estimate of seated public transportation exposure cases. The dose rate to the adjacent room guest was highest for the exposure scenario in which the hotel guest and patient are seated by a factor of similar to 4 for the normal and differentiated thyroid cancer uptake cases and by a factor of similar to 3 for the hyperthyroid case. Conclusions: It was determined that for all modeled cases, the DTC case yielded the lowest external dose rates, whereas the hyperthyroid case yielded the highest dose rates. In estimating external dose to members of the public from patients with I-131 therapy, consideration must be given to (patient-and case-specific) administered I-131 activities and duration of exposure for a more complete estimate. The method implemented here included a detailed calculation model, which provides a means to determine dose rate estimates for a range of scenarios. The method was demonstrated for variations of three scenarios, showing how dose rates are expected to vary with uptake, voiding pattern, and patient location. (C) 2015 American Association of Physicists in Medicine. C1 [Dewji, S.; Bellamy, M.; Hertel, N.; Leggett, R.; Eckerman, K.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Hertel, N.] Georgia Inst Technol, Atlanta, GA 30332 USA. [Sherbini, S.; Saba, M.] US Nucl Regulatory Commiss, Washington, DC 20555 USA. RP Dewji, S (reprint author), Oak Ridge Natl Lab, 1 Bethel Valley Rd,MS-6335, Oak Ridge, TN 37831 USA. EM dewjisa@ornl.gov RI Dewji, Shaheen/J-6634-2016 OI Dewji, Shaheen/0000-0002-3699-5877 FU United States Nuclear Regulatory Commission [NRC-HQ-60-11-D-0024]; ORNL FX The authors thank Dr. Scott Mosher for his technical assistance on this project. This work was funded by the United States Nuclear Regulatory Commission under Contract No. NRC-HQ-60-11-D-0024 with ORNL. NR 11 TC 0 Z9 0 U1 1 U2 12 PU AMER ASSOC PHYSICISTS MEDICINE AMER INST PHYSICS PI MELVILLE PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA SN 0094-2405 J9 MED PHYS JI Med. Phys. PD APR PY 2015 VL 42 IS 4 BP 1851 EP 1857 DI 10.1118/1.4915084 PG 7 WC Radiology, Nuclear Medicine & Medical Imaging SC Radiology, Nuclear Medicine & Medical Imaging GA CF0ZL UT WOS:000352273200039 PM 25832075 ER PT J AU Borg, LE Gaffney, AM Shearer, CK AF Borg, Lars E. Gaffney, Amy M. Shearer, Charles K. TI A review of lunar chronology revealing a preponderance of 4.34-4.37 Ga ages SO METEORITICS & PLANETARY SCIENCE LA English DT Review ID NORITIC ANORTHOSITE CLAST; ANGRA-DOS-REIS; SM-ND AGE; MAGMA-OCEAN; EARLY DIFFERENTIATION; RB-SR; U-PB; FERROAN ANORTHOSITES; ISOTOPE SYSTEMATICS; SNC METEORITES AB Data obtained from Sm-Nd and Rb-Sr isotopic measurements of lunar highlands' samples are renormalized to common standard values and then used to define ages with a common isochron regression algorithm. The reliability of these ages is evaluated using five criteria that include whether: (1) the ages are defined by multiple isotopic systems, (2) the data demonstrate limited scatter outside uncertainty, (3) initial isotopic compositions are consistent with the petrogenesis of the samples, (4) the ages are defined by an isotopic system that is resistant to disturbance by impact metamorphism, and (5) the rare-earth element abundances determined by isotope dilution of bulk of mineral fractions match those measured by in situ analyses. From this analysis, it is apparent that the oldest highlands' rock ages are some of the least reliable, and that there is little support for crustal ages older than approximately 4.40Ga. A model age for ur-KREEP formation calculated using the most reliable Mg-suite Sm-Nd isotopic systematics, in conjunction with Sm-Nd analyses of KREEP basalts, is 4389 +/- 45Ma. This age is a good match to the Lu-Hf model age of 4353 +/- 37Ma determined using a subset of this sample suite, the average model age of 4353 +/- 25Ma determined on mare basalts with the Sm-146-Nd-142 isotopic system, with a peak in Pb-Pb ages observed in lunar zircons of approximately 4340 +/- 20Ma, and the oldest terrestrial zircon age of 4374 +/- 6Ma. The preponderance of ages between 4.34 and 4.37Ga reflect either primordial solidification of a lunar magma ocean or a widespread secondary magmatic event on the lunar nearside. The first scenario is not consistent with the oldest ages reported for lunar zircons, whereas the second scenario does not account for concordance between ages of crustal rocks and mantle reservoirs. C1 [Borg, Lars E.; Gaffney, Amy M.] Lawrence Livermore Natl Lab, Div Chem Sci, Livermore, CA 94550 USA. [Shearer, Charles K.] Univ New Mexico, Inst Meteorit, Albuquerque, NM 87131 USA. RP Borg, LE (reprint author), Lawrence Livermore Natl Lab, Div Chem Sci, Livermore, CA 94550 USA. EM borg5@llnl.gov FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344. LLNL-JRNL-655538]; NASA [NNH12AT84I, NNX10AI77G] 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. LLNL-JRNL-655538. This work was supported by NASA Cosmochemistry grants NNH12AT84I to L.E.B and NNX10AI77G to C.K.S. We are grateful for reviews by Larry Nyquist, Qing-zhu Yin, Alan Brandon, and Audrey Bouvier. NR 101 TC 9 Z9 9 U1 2 U2 11 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1086-9379 EI 1945-5100 J9 METEORIT PLANET SCI JI Meteorit. Planet. Sci. PD APR PY 2015 VL 50 IS 4 BP 715 EP 732 DI 10.1111/maps.12373 PG 18 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA CF5VL UT WOS:000352625200013 ER PT J AU Cecchini, NM Jung, HW Engle, NL Tschaplinski, TJ Greenberg, JT AF Cecchini, Nicolas M. Jung, Ho Won Engle, Nancy L. Tschaplinski, Timothy J. Greenberg, Jean T. TI ALD1 Regulates Basal Immune Components and Early Inducible Defense Responses in Arabidopsis SO MOLECULAR PLANT-MICROBE INTERACTIONS LA English DT Article ID SYSTEMIC ACQUIRED-RESISTANCE; DOWNY MILDEW RESISTANCE; NADPH OXIDASE RBOHD; SALICYLIC-ACID; DISEASE RESISTANCE; PLANT IMMUNITY; PSEUDOMONAS-SYRINGAE; INNATE IMMUNITY; CELL-DEATH; ISOCHORISMATE SYNTHASE AB Robust immunity requires basal defense machinery to mediate timely responses and feedback cycles to amplify defenses against potentially spreading infections. AGD2-LIKE DEFENSE RESPONSE PROTEIN 1 (ALD1) is needed for the accumulation of the plant defense signal salicylic acid (SA) during the first hours after infection with the pathogen Pseudomonas syringae and is also upregulated by infection and SA. ALD1 is an aminotransferase with multiple substrates and products in vitro. Pipecolic acid (Pip) is an ALD1-dependent bioactive product induced by P. syringae. Here, we addressed roles of ALD1 in mediating defense amplification as well as the levels and responses of basal defense machinery. ALD1 needs immune components PAD4 and ICS1 (an SA synthesis enzyme) to confer disease resistance, possibly through a transcriptional amplification loop between them. Furthermore, ALD1 affects basal defense by controlling microbial-associated molecular pattern (MAMP) receptor levels and responsiveness. Vascular exudates from uninfected ALD1-overexpressing plants confer local immunity to the wild type and ald1 mutants yet are not enriched for Pip. We infer that, in addition to affecting Pip accumulation, ALD1 produces non-Pip metabolites that play roles in immunity. Thus, distinct metabolite signals controlled by the same enzyme affect basal and early defenses versus later defense responses, respectively. C1 [Cecchini, Nicolas M.; Jung, Ho Won; Greenberg, Jean T.] Univ Chicago, Dept Mol Genet & Cell Biol, Chicago, IL 60637 USA. [Jung, Ho Won] Dong A Univ, Dept Genet Engn, Busan 604714, South Korea. [Engle, Nancy L.; Tschaplinski, Timothy J.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Greenberg, JT (reprint author), Univ Chicago, Dept Mol Genet & Cell Biol, 929 East 57th St GCIS 524W, Chicago, IL 60637 USA. EM jgreenbe@uchicago.edu OI Greenberg, Jean/0000-0002-7213-7618; Cecchini, Nicolas/0000-0002-2894-7744; Tschaplinski, Timothy/0000-0002-9540-6622; Engle, Nancy/0000-0003-0290-7987 FU NSF [IOS 0957963]; Rural Development Administration (RDA) [PJ00785005]; National Research Foundation of Korea [2010-0006441]; U.S. Department of Energy, Office of Science, Biological and Environmental Research [DE-AC05-00OR22725] FX This research was supported by NSF grant IOS 0957963 to J. T. Greenberg. H. W. Jung was supported by Wu Jang-Choon Project from the Rural Development Administration (RDA) (PJ00785005) and Basic Science Research Program from the National Research Foundation of Korea (2010-0006441). This research was also supported, in part, by the Genomic Science Program (Science Focus Area Plant:Microbe Interfaces), U.S. Department of Energy, Office of Science, Biological and Environmental Research under the contract DE-AC05-00OR22725. NR 84 TC 7 Z9 7 U1 0 U2 15 PU AMER PHYTOPATHOLOGICAL SOC PI ST PAUL PA 3340 PILOT KNOB ROAD, ST PAUL, MN 55121 USA SN 0894-0282 EI 1943-7706 J9 MOL PLANT MICROBE IN JI Mol. Plant-Microbe Interact. PD APR PY 2015 VL 28 IS 4 BP 455 EP 466 DI 10.1094/MPMI-06-14-0187-R PG 12 WC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Plant Sciences SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Plant Sciences GA CF8HI UT WOS:000352796500008 PM 25372120 ER PT J AU Khan, AI Marti, X Serrao, C Ramesh, R Salahuddin, S AF Khan, Asif Islam Marti, Xavier Serrao, Claudy Ramesh, Ramamoorthy Salahuddin, Sayeef TI Voltage-Controlled Ferroelastic Switching in Pb(Zr0.2Ti0.8)O-3 Thin Films SO NANO LETTERS LA English DT Article DE Nanodomains; ferroelastic switching; ferroelectricity; Pb(Zr0.2Ti0.8)O-3; thin film ID FLUX-CLOSURE DOMAINS; FERROELECTRIC-FILMS; WALLS; HETEROSTRUCTURES; MULTIFERROICS; NANODOMAINS; CONDUCTION; DYNAMICS; DEVICES; BATIO3 AB We report a voltage controlled reversible creation and annihilation of a-axis oriented similar to 10 nm wide ferroelastic nanodomains without a concurrent ferroelectric 180 degrees switching of the surrounding c-domain matrix in archetypal ferroelectric Pb(Zr0.2Ti0.8)O-3 thin films by using the piezo-response force microscopy technique. In previous studies, the coupled nature of ferroelectric switching and ferroelastic rotation has made it difficult to differentiate the underlying physics of ferroelastic domain wall movement. Our observation of distinct thresholds for ferroelectric and ferroelastic switching allows us investigate the ferroelastic switching cleanly and demonstrate a new degree of nanoscale control over the ferroelastic domains. C1 [Khan, Asif Islam; Serrao, Claudy; Salahuddin, Sayeef] Univ Calif Berkeley, Dept Elect Engn & Comp Sci, Berkeley, CA 94720 USA. [Marti, Xavier; Serrao, Claudy; Ramesh, Ramamoorthy] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Ramesh, Ramamoorthy] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Ramesh, Ramamoorthy; Salahuddin, Sayeef] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Marti, Xavier] Inst Phys ASCR, Vvi, Prague 16253 6, Czech Republic. RP Khan, AI (reprint author), Univ Calif Berkeley, Dept Elect Engn & Comp Sci, Berkeley, CA 94720 USA. EM asif@eecs.berkeley.edu; sayeef@berkeley.edu RI Marti, Xavier/E-1103-2014 OI Marti, Xavier/0000-0003-1653-5619 FU Office of Naval Research (ONR); Center for Low Energy Systems Technology (LEAST), one of the six SRC STARnet Centers; MARCO; DARPA; NSF E3S Center at Berkeley; Qualcomm Innovation Fellowship FX This work was supported in part by the Office of Naval Research (ONR), the Center for Low Energy Systems Technology (LEAST), one of the six SRC STARnet Centers, sponsored by MARCO and DARPA and the NSF E3S Center at Berkeley. A.I.K. acknowledges the Qualcomm Innovation Fellowship 2012-13. The authors thank B. Huey, P. Alpay, J. X. Zhang, J. Clarkson, P. Yu, M. Trassin, K. Ashraf, L. You, and S. Smith for fruitful discussions. NR 44 TC 3 Z9 3 U1 6 U2 74 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD APR PY 2015 VL 15 IS 4 BP 2229 EP 2234 DI 10.1021/nl503806p PG 6 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CF7QA UT WOS:000352750200003 PM 25734797 ER PT J AU Mahmood, Q Kim, MG Yun, S Bak, SM Yang, XQ Shin, HS Kim, WS Braun, PV Park, HS AF Mahmood, Qasim Kim, Min Gyu Yun, Sol Bak, Seong-Min Yang, Xiao-Qing Shin, Hyeon Suk Kim, Woo Sik Braun, Paul V. Park, Ho Seok TI Unveiling Surface Redox Charge Storage of Interacting Two-Dimensional Heteronanosheets in Hierarchical Architectures SO NANO LETTERS LA English DT Article DE energy storage mechanism; redox reaction; 2D nanomaterial; heteronanosheet; in situ spectroscopy; hierarchical structure ID ELECTROCHEMICAL ENERGY-STORAGE; DER-WAALS HETEROSTRUCTURES; ULTRAFAST-CHARGE; SINGLE-LAYER; GRAPHENE; MOS2; LI+; NANOARCHITECTURES; NANOSTRUCTURES; TRANSITION AB Two-dimensional (2D) heteronanosheets are currently the focus of intense study due to the unique properties that emerge from the interplay between two low-dimensional nanomaterials with different properties. However, the properties and new phenomena based on the two 2D heteronanosheets interacting in a 3D hierarchical architecture have yet to be explored. Here, we unveil the surface redox charge storage mechanism of surface-exposed WS2 nanosheets assembled in a 3D hierarchical heterostructure using in situ synchrotron X-ray absorption and Raman spectroscopic methods. The surface dominating redox charge storage of WS2 is manifested in a highly reversible and ultrafast capacitive fashion due to the interaction of heteronanosheets and the 3D connectivity of the hierarchical structure. In contrast, compositionally identical 2D WS2 structures fail to provide a fast and high capacitance with different modes of lattice vibration. The distinctive surface capacitive behavior of 3D hierarchically structured heteronanosheets is associated with rapid proton accommodation into the in-plane W-S lattice (with the softening of the E-2g bands), the reversible redox transition of the surface-exposed intralayers residing in the electrochemically active 1T phase of WS2 (with the reversible change in the interatomic distance and peak intensity of W-W bonds), and the change in the oxidation state during the proton insertion/deinsertion process. This proposed mechanism agrees with the dramatic improvement in the capacitive performance of the two heteronanosheets coupled in the hierarchical structure. C1 [Mahmood, Qasim; Kim, Woo Sik] Kyung Hee Univ, Coll Engn, Dept Chem Engn, Yongin 446701, Gyeonggi Do, South Korea. [Kim, Min Gyu] Pohang Inst Sci & Technol, Pohang Accelerator Lab, Beamline Res Div, Pohang 790600, South Korea. [Yun, Sol; Park, Ho Seok] Sungkyunkwan Univ SKKU, Sch Chem Engn, Suwon 440746, South Korea. [Bak, Seong-Min; Yang, Xiao-Qing] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Shin, Hyeon Suk] UNIST, Dept Chem, Dept Energy Engn, Ulsan 689798, South Korea. [Shin, Hyeon Suk] UNIST, Low Dimens Carbon Mat Ctr, Ulsan 689798, South Korea. [Braun, Paul V.] Univ Illinois, Mat Res Lab, Dept Mat Sci & Engn, Urbana, IL 61801 USA. [Braun, Paul V.] Univ Illinois, Beckman Inst, Urbana, IL 61801 USA. RP Park, HS (reprint author), Sungkyunkwan Univ SKKU, Sch Chem Engn, Suwon 440746, South Korea. EM phs0727@skku.edu RI Kim, Min-Gyu/D-8949-2013; Shin, Hyeon Suk/E-5901-2010; Park, Ho Seok/D-1957-2011; Bak, Seong Min/J-4597-2013; OI Kim, Min-Gyu/0000-0002-2366-6898; Bak, Seong-Min/0000-0002-1626-5949 FU National Research Foundation (NRF) - Ministry of Science, ICT & Future Planning [NRF-2013-220-2013S1A2A2035510]; Office of Vehicle Technologies of the U.S. Department of Energy (DOE) [DE-SC0012704] FX We acknowledge the financial support by the National Research Foundation (NRF) funded by the Ministry of Science, ICT & Future Planning (NRF-2013-220-2013S1A2A2035510). The work done at Brookhaven National Laboratory was supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies of the U.S. Department of Energy (DOE), under contract no. DE-SC0012704. Synchrotron-based experiments at Pohang Light Source (PLS) were supported in part by MSIP and POSTECH. NR 40 TC 11 Z9 11 U1 6 U2 77 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD APR PY 2015 VL 15 IS 4 BP 2269 EP 2277 DI 10.1021/nl504200y PG 9 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CF7QA UT WOS:000352750200009 PM 25734379 ER PT J AU Yang, N Cantoni, C Foglietti, V Tebano, A Belianinov, A Strelcov, E Jesse, S Di Castro, D Di Bartolomeo, E Licoccia, S Kalinin, SV Balestrino, G Aruta, C AF Yang, Nan Cantoni, Claudia Foglietti, Vittorio Tebano, Antonello Belianinov, Alex Strelcov, Evgheni Jesse, Stephen Di Castro, Daniele Di Bartolomeo, Elisabetta Licoccia, Silvia Kalinin, Sergei V. Balestrino, Giuseppe Aruta, Carmela TI Defective Interfaces in Yttrium-Doped Barium Zirconate Films and Consequences on Proton Conduction SO NANO LETTERS LA English DT Article DE ionic conduction; interface defects; doped barium zirconate; electrolytes; SPM; STEM; perovskite oxide thin films ID IONIC-CONDUCTIVITY; OXIDE INTERFACES; CHARGE-CARRIERS; THIN-FILMS; OXYGEN; HETEROSTRUCTURES; DISLOCATIONS; BOUNDARIES; STABILITY; SRTIO3 AB Yttrium-doped barium zirconate (BZY) thin films recently showed surprising electric transport properties. Experimental investigations conducted mainly by electrochemical impedance spectroscopy suggested that a consistent part of this BZY conductivity is of protonic nature. These results have stimulated further investigations by local unconventional techniques. Here, we use electrochemical strain microscopy (ESM) to detect electrochemical activity in BZY films with nanoscale resolution. ESM in a novel cross-sectional measuring setup allows the direct visualization of the interfacial activity. The local electrochemical investigation is compared with the structural studies performed by state of art scanning transmission electron microscopy (STEM). The ESM and STEM results show a clear correlation between the conductivity and the interface structural defects. We propose a physical model based on a misfit dislocation network that introduces a novel 2D transport phenomenon, whose fingerprint is the low activation energy measured. C1 [Yang, Nan; Foglietti, Vittorio; Tebano, Antonello; Di Castro, Daniele; Balestrino, Giuseppe; Aruta, Carmela] Univ Roma Tor Vergata, Natl Res Council CNR SPIN, I-00133 Rome, Italy. [Yang, Nan; Tebano, Antonello; Di Bartolomeo, Elisabetta; Licoccia, Silvia; Aruta, Carmela] Univ Roma Tor Vergata, NAST Ctr, I-00133 Rome, Italy. [Yang, Nan] Univ Niccolo Cusano, Fac Engn, I-00166 Rome, Italy. [Cantoni, Claudia] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Foglietti, Vittorio; Tebano, Antonello; Di Castro, Daniele; Balestrino, Giuseppe; Aruta, Carmela] Univ Roma Tor Vergata, Dept DICII, I-00133 Rome, Italy. [Belianinov, Alex; Strelcov, Evgheni; Jesse, Stephen; Kalinin, Sergei V.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Di Bartolomeo, Elisabetta; Licoccia, Silvia] Univ Roma Tor Vergata, Dept Chem Sci & Technol, I-00133 Rome, Italy. RP Aruta, C (reprint author), Univ Roma Tor Vergata, Natl Res Council CNR SPIN, I-00133 Rome, Italy. EM carmela.aruta@spin.cnr.it RI Strelcov, Evgheni/H-1654-2013; Aruta, Carmela/L-2957-2015; Kalinin, Sergei/I-9096-2012; Jesse, Stephen/D-3975-2016; Foglietti, Vittorio/J-7052-2012; OI Aruta, Carmela/0000-0002-6917-6667; Kalinin, Sergei/0000-0001-5354-6152; Jesse, Stephen/0000-0002-1168-8483; Foglietti, Vittorio/0000-0002-9588-5379; DI BARTOLOMEO, ELISABETTA/0000-0002-1739-0725; DI CASTRO, DANIELE/0000-0002-0878-6904; Belianinov, Alex/0000-0002-3975-4112 FU META Materials Enhancement for Technological Applications Project [FP7-PEOPLE-2010-IRSES Marie Curie Actions, PIRSES-GA-2010-269182]; FIRE Project RBAP115AYN "Oxides at the nanoscale: multifunctionality and applications"; PRIN Project; Oak Ridge National Laboratory by the Division of Scientific User Facilities, U.S. Department of Energy [CNMS2013-032]; U.S. Department of Energy, Basic Energy Sciences, Materials Science and Engineering Division FX The authors acknowledge META Materials Enhancement for Technological Applications Project (FP7-PEOPLE-2010-IRSES Marie Curie Actions, PIRSES-GA-2010-269182. Italian MIUR is acknowledged for support through the FIRE Project RBAP115AYN "Oxides at the nanoscale: multifunctionality and applications" and PRIN Project 2010-2011 OXIDE, "OXide Interfaces: emerging new properties, multifunctionality, and Devices for Electronics and Energy. The research at ORNL was conducted at the Center for Nanophase Materials Sciences, which is sponsored at Oak Ridge National Laboratory by the Division of Scientific User Facilities, U.S. Department of Energy, in the project CNMS2013-032 "Local electrochemical characterization of epitaxial thin films of proton conductor perovskite oxides". C.C. acknowledges support by the U.S. Department of Energy, Basic Energy Sciences, Materials Science and Engineering Division. NR 33 TC 4 Z9 4 U1 5 U2 65 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD APR PY 2015 VL 15 IS 4 BP 2343 EP 2349 DI 10.1021/acs.nanolett.5b00698 PG 7 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CF7QA UT WOS:000352750200020 PM 25789878 ER PT J AU El-Khoury, PZ Gong, Y Abellan, P Arey, BW Joly, AG Hu, DH Evans, JE Browning, ND Hess, WP AF El-Khoury, Patrick Z. Gong, Yu Abellan, Patricia Arey, Bruce W. Joly, Alan G. Hu, Dehong Evans, James E. Browning, Nigel D. Hess, Wayne P. TI Tip-Enhanced Raman Nanographs: Mapping Topography and Local Electric Fields SO NANO LETTERS LA English DT Article DE Tip-enhanced Raman; junction plasmon; nanoscale imaging; local electric fields; nanolithography ID SINGLE-MOLECULE; SPECTROSCOPY; SCATTERING; QUANTUM; PLASMONICS AB We report tip-enhanced Raman imaging experiments in which information on sample topography and local electric fields is simultaneously obtained using an all-optical detection scheme. We demonstrate how a Raman-active 4,4'-dimercaptostilbene (DMS)-coated gold tip of an atomic force microscope can be used to simultaneously map the topography and image the electric fields localized at nanometric (20 and 5 nm wide) slits lithographically etched in silver, all using optical signals. Bimodal imaging is feasible by virtue of the frequency-resolved optical response of the functionalized metal probe. Namely, the probe position-dependent signals can be subdivided into two components. The first is a 500-2250 cm(-1) Raman-shifted signal, characteristic of the tip-bound DMS molecules. The molecules report on topography through the intensity contrast observed as the tip scans across the nanoscale features. The variation in molecular Raman activity arises from the absence/formation of a plasmonic junction between the scanning probe and patterned silver surface, which translates into dimmed/enhanced Raman signatures of DMS. Using these molecular signals, we demonstrate that sub-15 nm spatial resolution is attainable using a 30 nm DMS-coated gold tip. The second response consists of two correlated sub-500 cm(-1) signals arising from mirror-like reflections of (i) the incident laser field and (ii) the Raman scattered response of an underlying glass support (at 100-500 cm(-1)) off the gold tip. We show that both the reflected low-wavenumber signals trace the local electric fields in the vicinity of the nanometric slits. C1 [El-Khoury, Patrick Z.; Gong, Yu; Abellan, Patricia; Joly, Alan G.; Browning, Nigel D.; Hess, Wayne P.] Pacific NW Natl Lab, Div Phys Sci, Richland, WA 99352 USA. [Arey, Bruce W.; Hu, Dehong; Evans, James E.] Pacific NW Natl Lab, Environm & Mol Sci Lab, Richland, WA 99352 USA. RP El-Khoury, PZ (reprint author), Pacific NW Natl Lab, Div Phys Sci, Richland, WA 99352 USA. EM patrick.elkhoury@pnnl.gov; wayne.hess@pnnl.gov RI Hu, Dehong/B-4650-2010; Abellan, Patricia/G-4255-2011; Gong, Yu /I-9950-2014; OI Hu, Dehong/0000-0002-3974-2963; Abellan, Patricia/0000-0002-5797-1102; Gong, Yu /0000-0002-9357-9503; Browning, Nigel/0000-0003-0491-251X FU Laboratory Directed Research and Development Program through a Linus Pauling Fellowship at Pacific Northwest National Laboratory (PNNL); U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences; Chemical Imaging Initiative, under the Laboratory Directed Research and Development Program at PNNL; DOE's Office of Biological and Environmental Research FX P.Z.E. acknowledges support from the Laboratory Directed Research and Development Program through a Linus Pauling Fellowship at Pacific Northwest National Laboratory (PNNL), an allocation of computing time from the National Science Foundation (TG-CHE130003), and the use of the Extreme Science and Engineering Discovery Environment. W.P.H. acknowledges support from the U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences. The TEM work was supported by the Chemical Imaging Initiative, under the Laboratory Directed Research and Development Program at PNNL. A portion of the work was performed using EMSL, a national scientific user facility sponsored by the DOE's Office of Biological and Environmental Research and located at PNNL. This work also benefitted from PNNL Institutional Computing resources. PNNL is a multiprogram national laboratory operated for DOE by Battelle. NR 17 TC 9 Z9 9 U1 5 U2 59 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD APR PY 2015 VL 15 IS 4 BP 2385 EP 2390 DI 10.1021/acs.nanolett.5b00609 PG 6 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CF7QA UT WOS:000352750200026 PM 25741776 ER PT J AU Adams, PG Collins, AM Sahin, T Subramanian, V Urban, VS Vairaprakash, P Tian, YM Evans, DG Shreve, AP Montano, GA AF Adams, Peter G. Collins, Aaron M. Sahin, Tuba Subramanian, Vijaya Urban, Volker S. Vairaprakash, Pothiappan Tian, Yongming Evans, Deborah G. Shreve, Andrew P. Montano, Gabriel A. TI Diblock Copolymer Micelles and Supported Films with Noncovalently Incorporated Chromophores: A Modular Platform for Efficient Energy Transfer SO NANO LETTERS LA English DT Article DE Amphiphilic diblock copolymers; artificial light harvesting; Forster resonance energy transfer ID PURPLE BACTERIA; RHODOBACTER-SPHAEROIDES; ANTENNA COMPLEXES; ELECTRON-TRANSFER; BLOCK-COPOLYMERS; LIGHT; MEMBRANES; CONVERSION; FLUORESCENCE; LIPOSOMES AB We report generation of modular, artificial light-harvesting assemblies where an amphiphilic diblock copolymer, poly(ethylene oxide)-block-poly(butadiene), serves as the framework for noncovalent organization of BODIPY-based energy donor and bacteriochlorin-based energy acceptor chromophores. The assemblies are adaptive and form well-defined micelles in aqueous solution and high-quality monolayer and bilayer films on solid supports, with the latter showing greater than 90% energy transfer efficiency. This study lays the groundwork for further development of modular, polymer-based materials for light harvesting and other photonic applications. C1 [Adams, Peter G.; Collins, Aaron M.; Tian, Yongming; Montano, Gabriel A.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. [Sahin, Tuba; Vairaprakash, Pothiappan] N Carolina State Univ, Dept Chem, Raleigh, NC 27695 USA. [Subramanian, Vijaya; Evans, Deborah G.; Shreve, Andrew P.] Univ New Mexico, Ctr Biomed Engn, Albuquerque, NM 87131 USA. [Urban, Volker S.] Oak Ridge Natl Lab, Biol & Soft Matter Div, Oak Ridge, TN 37831 USA. [Tian, Yongming] New Mexico Inst Min & Technol, Dept Chem, Socorro, NM 87801 USA. RP Shreve, AP (reprint author), Univ New Mexico, Ctr Biomed Engn, Albuquerque, NM 87131 USA. EM shreve@unm.edu; gbmon@lanl.gov RI Urban, Volker/N-5361-2015; OI Urban, Volker/0000-0002-7962-3408; Adams, Peter/0000-0002-3940-8770 FU Photosynthetic Antenna Research Center (PARC), an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Basic Energy Sciences [DE-SC0001035]; Laboratory Directed Research and Development (LDRD) program at Los Alamos National Laboratory [20130796PRD2]; U.S. Department of Energy (DOE) Office of Science; National Nuclear Security Administration of the U.S. Department of Energy [DE-AC52-06NA25396]; Office of Biological and Environmental Research; Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy FX Experimental work by P.G.A. and Y.T. on synthesis and characterization of polymer-chromophore systems, synthesis of acceptor by T.S. and P.V., theoretical modeling of energy transfer by V.S. and A.P.S., and SANS experiments and analysis by V.S.U. were supported by the Photosynthetic Antenna Research Center (PARC), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences under Award No. DE-SC0001035. Experimental work by A.M.C. on synthesis and characterization of polymer-chromophore systems was supported by the Laboratory Directed Research and Development (LDRD) program at Los Alamos National Laboratory (Project No. 20130796PRD2). Work by G.A.M. was supported by the Center for Integrated Nanotechnologies, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science. Los Alamos National Laboratory, an affirmative action equal opportunity employer, is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the U.S. Department of Energy under Contract No. DE-AC52-06NA25396. Neutron scattering studies at the CG-3 Bio-SANS instrument at the High-Flux Isotope Reactor of Oak Ridge National Laboratory were sponsored by the Office of Biological and Environmental Research and by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. V.S.U. thanks K.C. Littrell at ORNL for providing SANS data reduction and analysis software. NR 44 TC 6 Z9 6 U1 7 U2 39 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD APR PY 2015 VL 15 IS 4 BP 2422 EP 2428 DI 10.1021/nl504814x PG 7 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CF7QA UT WOS:000352750200032 PM 25719733 ER PT J AU Egger, DA Liu, ZF Neaton, JB Kronik, L AF Egger, David A. Liu, Zhen-Fei Neaton, Jeffrey B. Kronik, Leeor TI Reliable Energy Level Alignment at Physisorbed Molecule-Metal Interfaces from Density Functional Theory SO NANO LETTERS LA English DT Article DE Molecule-metal interface; energy level alignment; density functional theory; range-separated hybrid; image plane ID FRONTIER ORBITAL ENERGIES; QUASI-PARTICLE ENERGIES; ELECTRONIC-STRUCTURE; PHOTOELECTRON-SPECTROSCOPY; JUNCTION CONDUCTANCE; ORGANIC-METAL; SURFACE; CHARGE; MONOLAYERS; TRANSPORT AB A key quantity for molecule-metal interfaces is the energy level alignment of molecular electronic states with the metallic Fermi level. We develop and apply an efficient theoretical method, based on density functional theory (DFT) that can yield quantitatively accurate energy level alignment information for physisorbed metal-molecule interfaces. The method builds on the "DFT+S" approach, grounded in many-body perturbation theory, which introduces an approximate electron self-energy that corrects the level alignment obtained from conventional DFT for missing exchange and correlation effects associated with the gas-phase molecule and substrate polarization. Here, we extend the DFT+Sigma approach in two important ways: first, we employ optimally tuned range-separated hybrid functionals to compute the gas-phase term, rather than rely on GW or total energy differences as in prior work; second, we use a nonclassical DFT-determined image-charge plane of the metallic surface to compute the substrate polarization term, rather than the classical DFT-derived image plane used previously. We validate this new approach by a detailed comparison with experimental and theoretical reference data for several prototypical molecule-metal interfaces, where excellent agreement with experiment is achieved: benzene on graphite (0001), and 1,4-benzenediamine, Cu-phthalocyanine, and 3,4,9,10-perylene-tetracarboxylic-dianhydride on Au(111). In particular, we show that the method correctly captures level alignment trends across chemical systems and that it retains its accuracy even for molecules for which conventional DFT suffers from severe self-interaction errors. C1 [Egger, David A.; Kronik, Leeor] Weizmann Inst Sci, Dept Mat & Interfaces, IL-76100 Rehovot, Israel. [Liu, Zhen-Fei; Neaton, Jeffrey B.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry & Mat Sci Div, Berkeley, CA 94720 USA. [Neaton, Jeffrey B.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Neaton, Jeffrey B.] Kavli Energy Nanosci Inst Berkeley, Berkeley, CA 94720 USA. RP Egger, DA (reprint author), Weizmann Inst Sci, Dept Mat & Interfaces, IL-76100 Rehovot, Israel. EM david.egger@weizmann.ac.il RI Neaton, Jeffrey/F-8578-2015; Foundry, Molecular/G-9968-2014; Egger, David/M-8926-2015; Liu, Zhenfei/D-8980-2017 OI Neaton, Jeffrey/0000-0001-7585-6135; FU European Research Council; Israel Science Foundation; United States-Israel Binational Science Foundation; Wolfson Foundation; Hemlsley Foundation; Austrian Science Fund (FWF) [J3608-N20]; Molecular Foundry; U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering (Theory FWP) [DE-AC02-05CH11231]; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy FX We are grateful to Georg Heimel (Humboldt-Universitat zu Berlin) and Egbert Zojer (Graz University of Technology) for inspiring discussions. Furthermore, we thank Ariel Biller (Weizmann Institute) for assistance with numerical aspects of the calculations, and Sivan Refaely-Abramson (Weizmann Institute), Victor G. Ruiz (Fritz-Haber Institut), Shira Weissman (Weizmann Institute), and Elisabeth Wruss (Graz University of Technology) for providing molecular coordinates. Work in Rehovoth was supported by the European Research Council, the Israel Science Foundation, the United States-Israel Binational Science Foundation, the Wolfson Foundation, the Hemlsley Foundation, the Austrian Science Fund (FWF):J3608-N20, and the Molecular Foundry. J.B.N was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering (Theory FWP) under Contract No. DE-AC02-05CH11231. Work performed at the Molecular Foundry was also supported by the Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy. We thank the National Energy Research Scientific Computing center for computational resources. NR 113 TC 25 Z9 25 U1 16 U2 75 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD APR PY 2015 VL 15 IS 4 BP 2448 EP 2455 DI 10.1021/nl504863r PG 8 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CF7QA UT WOS:000352750200036 PM 25741626 ER PT J AU Li, Q Wu, LH Wu, G Su, D Lv, HF Zhang, S Zhu, WL Casimir, A Zhu, HY Mendoza-Garcia, A Sun, SH AF Li, Qing Wu, Liheng Wu, Gang Su, Dong Lv, Haifeng Zhang, Sen Zhu, Wenlei Casimir, Anix Zhu, Huiyuan Mendoza-Garcia, Adriana Sun, Shouheng TI New Approach to Fully Ordered fct-FePt Nanoparticles for Much Enhanced Electrocatalysis in Acid SO NANO LETTERS LA English DT Article DE face-centered tetragonal structure; nanoparticles; electrocatalysis; oxygen reduction; hydrogen evolution ID OXYGEN REDUCTION REACTION; CATALYSIS; SHELL; CORE; NANOCATALYSTS; NANOCRYSTALS; POLYANILINE; MONOLAYER; SURFACES AB Fully ordered face-centered tetragonal (fct) FePt nanoparticles (NPs) are synthesized by thermal annealing of the MgO-coated dumbbell-like FePt-Fe3O4 NPs followed by acid washing to remove MgO. These fct-FePt NPs show strong ferromagnetism with room temperature coercivity reaching 33 kOe. They serve as a robust electrocatalyst for the oxygen reduction reaction (ORR) in 0.1 M HClO4 and hydrogen evolution reaction (HER) in 0.5 M H2SO4 with much enhanced activity (the most active fct-structured alloy NP catalyst ever reported) and stability (no obvious Fe loss and NP degradation after 20 000 cycles between 0.6 and 1.0 V (vs RHE)). Our work demonstrates a reliable approach to FePt NPs with much improved fct-ordering and catalytic efficiency for ORR and HER. C1 [Li, Qing; Wu, Liheng; Lv, Haifeng; Zhang, Sen; Zhu, Wenlei; Zhu, Huiyuan; Mendoza-Garcia, Adriana; Sun, Shouheng] Brown Univ, Dept Chem, Providence, RI 02912 USA. [Wu, Gang; Casimir, Anix] SUNY Buffalo, Dept Chem & Biol Engn, Buffalo, NY 14260 USA. [Su, Dong] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Sun, SH (reprint author), Brown Univ, Dept Chem, Providence, RI 02912 USA. EM ssun@brown.edu RI Zhang, Sen/E-4226-2015; Li, Qing/G-4502-2011; Wu, Gang/E-8536-2010; Su, Dong/A-8233-2013; Wu, Liheng/L-1279-2016 OI Li, Qing/0000-0003-4807-030X; Wu, Gang/0000-0003-4956-5208; Su, Dong/0000-0002-1921-6683; FU U.S. Army Research Laboratory; U.S. Army Research Office under the Multi University Research Initiative (MURI) [W911NF-11-1-0353]; U.S. Department of Energy (DOE), Office of Basic Energy Sciences [DE-AC02-98CH10886, DE-SC-00112704] FX This work was supported by the U.S. Army Research Laboratory and the U.S. Army Research Office under the Multi University Research Initiative (MURI, grant number W911NF-11-1-0353) on "Stress-Controlled Catalysis via Engineered Nanostructures". The electron microscopy work was partially carried out at the Center for Functional Nanomaterials, Brookhaven National Laboratory, which is supported by the U.S. Department of Energy (DOE), Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886 and DE-SC-00112704. NR 36 TC 54 Z9 54 U1 43 U2 219 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD APR PY 2015 VL 15 IS 4 BP 2468 EP 2473 DI 10.1021/acs.nanolett.5b00320 PG 6 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CF7QA UT WOS:000352750200039 PM 25723811 ER PT J AU Niu, KY Lin, F Jung, S Fang, L Nordlund, D McCrory, CCL Weng, TC Ercius, P Doeff, MM Zheng, HM AF Niu, Kai-Yang Lin, Feng Jung, Suho Fang, Liang Nordlund, Dennis McCrory, Charles C. L. Weng, Tsu-Chien Ercius, Peter Doeff, Marca M. Zheng, Haimei TI Tuning Complex Transition Metal Hydroxide Nanostructures as Active Catalysts for Water Oxidation by a Laser-Chemical Route SO NANO LETTERS LA English DT Article DE Transition,metal hydroxides; water oxidation; laser chemistry; electrocatalysis three-dimensional catalyst; volume activity ID OXYGEN EVOLUTION CATALYSIS; OXIDES AB Diverse transition metal hydroxide nanostructures were synthesized by laser-induced hydrolysis in a liquid precursor solution for alkaline oxygen evolution reaction (OER). Several active OER catalysts with fine control of composition, structure, and valence state were obtained including (Lix)[Ni0.66Mn0.34(OH)(2)](NO3)(CO3) (.) mH(2)O, Lix[Ni0.67Co0.33(OH)(2)](NO3)(0.25)(ORO)(0.35) (.) mH(2)O, etc. An operate overpotential less than 0.34 V at current density of 10 mA cm(-2) was achieved. Such a controllable laser-chemical route for assessing complex nanostructures in liquids opens many opportunities to design novel functional materials for advanced applications. C1 [Niu, Kai-Yang; Fang, Liang; Zheng, Haimei] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Lin, Feng; Doeff, Marca M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. [Ercius, Peter] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Natl Ctr Elect Microscopy, Berkeley, CA 94720 USA. [Jung, Suho; McCrory, Charles C. L.] CALTECH, Joint Ctr Artificial Photosynth, Pasadena, CA 91125 USA. [Fang, Liang] Chongqing Univ, Coll Phys, State Key Lab Mech Transmiss, Chongqing 400044, Peoples R China. [Nordlund, Dennis; Weng, Tsu-Chien] SLAC Natl Accelerator Lab, Stanford Synchrotron Radiat Lightsource, Menlo Pk, CA 94025 USA. [Zheng, Haimei] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. RP Jung, S (reprint author), CALTECH, Joint Ctr Artificial Photosynth, Pasadena, CA 91125 USA. EM suho.jung@caltech.edu; hmzheng@lbl.gov RI Niu, Kaiyang/M-4765-2013; Foundry, Molecular/G-9968-2014; Nordlund, Dennis/A-8902-2008; OI Niu, Kaiyang/0000-0003-3289-1322; Nordlund, Dennis/0000-0001-9524-6908; Doeff, Marca/0000-0002-2148-8047 FU U.S. Department of Energy (DOE) Office of Basic Energy Sciences [DE-AC02-05CH11231]; Office of Science of the U.S. DOE [DE-SC0004993]; China Scholarship Council (CSC) [2010850533]; National Basic Research Program of China [2014CB931700]; DOE Office of Science Early Career Research Program FX We thank Prof. Alexis T. Bell and Dr. Mary W. Louie for useful discussions. We performed TEM characterization using Tecnai, TitanX, and TEAM1 microscopes at National Center for Electron Microscopy of the Molecular Foundry at Lawrence Berkeley National Laboratory (LBNL), which is supported by the U.S. Department of Energy (DOE) Office of Basic Energy Sciences under Contract No. DE-AC02-05CH11231. The synchrotron X-ray portions of this research were carried out at the Stanford Synchrotron Radiation Lightsource (Beam lines 10-1 and 8-2), a Directorate of SLAC National Accelerator Laboratory and an Office of Science User Facility operated for the U.S. Department of Energy Office of Science at Stanford University. Electrochemical measurements are based on work performed at the Joint Center for Artificial Photosynthesis, a DOE Innovation Hub, supported through the Office of Science of the U.S. DOE under Award No. DE-SC0004993. K.N. acknowledges Dr. Renjia Zhou for performing the TGA, FT-IR in Molecular Foundry and Dr. Xin Liu at LBNL for measuring the UV-vis absorption spectra. L.F. acknowledges the support of China Scholarship Council (CSC) under No. 2010850533 and the National Basic Research Program of China (2014CB931700). F.L., D.N., and T.-C.W. thank Dr. Jun-Sik Lee and Glen Kerr for the help at SSRL Beam line 8-2. H.Z. acknowledges the SinBeRise program of BEARS at University of California, Berkeley for travel support. She also thanks the support of DOE Office of Science Early Career Research Program. NR 25 TC 9 Z9 9 U1 7 U2 74 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD APR PY 2015 VL 15 IS 4 BP 2498 EP 2503 DI 10.1021/acs.nanolett.5b00026 PG 6 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CF7QA UT WOS:000352750200043 PM 25723892 ER PT J AU Zhao, Y Anderson, NC Zhu, K Aguiar, JA Seabold, JA van de Lagemaat, J Branz, HM Neale, NR Oh, J AF Zhao, Y. Anderson, N. C. Zhu, K. Aguiar, J. A. Seabold, J. A. van de Lagemaat, J. Branz, H. M. Neale, N. R. Oh, J. TI Oxidatively Stable Nanoporous Silicon Photocathodes with Enhanced Onset Voltage for Photoelectrochemical Proton Reduction SO NANO LETTERS LA English DT Article DE Photoeleetrochemical water splitting; hydrogen production; silicon phopelectrode; nanoporous silicon; surface oxidation ID ATOMIC LAYER DEPOSITION; SURFACE MODIFICATION; ARRAY PHOTOCATHODES; HYDROGEN GENERATION; ENERGY-CONVERSION; NANOWIRE ARRAYS; BARRIER HEIGHT; H-2 EVOLUTION; SOLAR-CELLS; ELECTRODES AB Stable and high-performance nanoporous "black silicon" photoelectrodes with electrolessly deposited Pt nanoparticle (NP) catalysts are made with two metal-assisted etching steps. Doubly etched samples exhibit an similar to 300 mV positive shift in photocurrent onset for photoelectrochemical proton reduction compared to oxide-free planar Si with identical catalysts. We find that the photocurrent onset voltage of black Si photocathodes prepared from single-crystal planar Si wafers by an Ag-assisted etching process increases in oxidative environments (e.g., aqueous electrolyte) owing to a positive flat-band potential shift caused by surface oxidation. However, within 24 h, the surface oxide layer becomes a kinetic barrier to interfacial charge transfer that inhibits proton reduction. To mitigate this issue, we developed a novel second Pt-assisted etch process that buries the Pt NPs deep into the nanoporous Si surface. This second etch shifts the onset voltage positively, from +0.25 V to +0.4 V versus reversible hydrogen electrode, and reduces the charge-transfer resistance with no performance decrease seen for at least two months. PEC performance was stable owing to Pt NP catalysts that were buried deeply in the photoelectrode by the second etch, below a thick surface layer comprised primarily of amorphous SiO2 along with some degree of remaining crystalline Si as observed by scanning and transmission electron micrographs. Electrochemical impedance studies reveal that the second etch leads to a considerably smaller interfacial charge-transfer resistance than samples without the additional etch, suggesting that burying the Pt NPs improves the interfacial contact to the crystalline silicon surface. C1 [Zhao, Y.; Anderson, N. C.; Zhu, K.; Aguiar, J. A.; Seabold, J. A.; van de Lagemaat, J.; Branz, H. M.; Neale, N. R.] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Oh, J.] Korea Adv Inst Sci & Technol, Daejeon 305338, South Korea. RP Neale, NR (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM Howard.Branz@nrel.gov; Nathan.Neale@nrel.gov RI Oh, Jihun/B-7085-2013; van de Lagemaat, Jao/J-9431-2012; Zhao, Yixin/D-2949-2012; OI Oh, Jihun/0000-0001-6465-6736; Anderson, Nicholas/0000-0001-8161-5303; Aguiar, Jeffery/0000-0001-6101-4762 FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences [DE-AC36-08GO28308] FX We are grateful to Bobby To for SEM characterization. We additionally thank Drs. Emily L. Warren, Heli Wang, Todd G. Deutsch, and John A. Turner (NREL) for helpful discussions. This Letter is based on work supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences through Grant DE-AC36-08GO28308 to NREL. NR 41 TC 14 Z9 14 U1 19 U2 136 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD APR PY 2015 VL 15 IS 4 BP 2517 EP 2525 DI 10.1021/acs.nanolett.5b00086 PG 9 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CF7QA UT WOS:000352750200046 PM 25723908 ER PT J AU Marinova, M Rault, JE Gloter, A Nemsak, S Palsson, GK Rueff, JP Fadley, CS Carretero, C Yamada, H March, K Garcia, V Fusil, S Barthelemy, A Stephan, O Colliex, C Bibes, M AF Marinova, Maya Rault, Julien E. Gloter, Alexandre Nemsak, Slavomir Palsson, Gunnar K. Rueff, Jean-Pascal Fadley, Charles S. Carretero, Cecile Yamada, Hiroyuki March, Katia Garcia, Vincent Fusil, Stephane Barthelemy, Agnes Stephan, Odile Colliex, Christian Bibes, Manuel TI Depth Profiling Charge Accumulation from a Ferroelectric into a Doped Mott Insulator SO NANO LETTERS LA English DT Article DE Aberration-corrected; STEM-EELS; Mott insulator; ferroelectricity; interface charge accumulation; interface physics; HAXPES ID RAY ABSORPTION-SPECTROSCOPY; NEAR-EDGE STRUCTURE; ELECTRONIC-STRUCTURE; MANGANITES; VALENCE; TRANSITION; INTERFACE; STATE; FIELD; PHOTOEMISSION AB The electric field control of functional properties is a crucial goal in oxide-based electronics. Nonvolatile switching between different resistivity or magnetic states in an oxide channel can be achieved through charge accumulation or depletion from an adjacent ferroelectric. However, the way in which charge distributes near the interface between the ferroelectric and the oxide remains poorly known, which limits our understanding of such switching effects. Here, we use a first-of-a-kind combination of scanning transmission electron microscopy with electron energy loss spectroscopy, near-total-reflection hard X-ray photoemission spectroscopy, and ab initio theory to address this issue. We achieve a direct, quantitative, atomic-scale characterization of the polarization-induced charge density changes at the interface between the ferroelectric BiFeO3 and the doped Mott insulator Ca1-xCexMnO3, thus providing insight on how interface-engineering can enhance these switching effects. C1 [Marinova, Maya; Gloter, Alexandre; March, Katia; Stephan, Odile; Colliex, Christian] Univ Paris 11, CNRS UMR 8502, Phys Solides Lab, F-91405 Orsay, France. [Rault, Julien E.; Rueff, Jean-Pascal] Synchrotron SOLEIL, F-91192 Gif Sur Yvette, France. [Nemsak, Slavomir; Fadley, Charles S.] Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. [Nemsak, Slavomir; Fadley, Charles S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Nemsak, Slavomir] Forschungszentrum Julich, Peter Grunberg Inst PGI 6, D-52425 Julich, Germany. [Palsson, Gunnar K.] Uppsala Univ, Dept Phys & Astron, SE-75120 Uppsala, Sweden. [Palsson, Gunnar K.] Inst Laue Langevin, F-38000 Grenoble, France. [Carretero, Cecile; Yamada, Hiroyuki; Garcia, Vincent; Fusil, Stephane; Barthelemy, Agnes; Bibes, Manuel] Unite Mixte Phys CNRS Thales, F-91767 Palaiseau, France. [Carretero, Cecile; Yamada, Hiroyuki; Garcia, Vincent; Fusil, Stephane; Barthelemy, Agnes; Bibes, Manuel] Univ Paris 11, F-91405 Orsay, France. [Yamada, Hiroyuki] PRESTO, JST, Natl Inst Adv Ind Sci & Technol AIST, Tsukuba, Ibaraki 3058562, Japan. RP Marinova, M (reprint author), Univ Paris 11, CNRS UMR 8502, Phys Solides Lab, F-91405 Orsay, France. EM maya.marinova@univ-lille1.fr; alexandre.gloter@u-psud.fr RI Bibes, Manuel/C-5899-2013; Garcia, Vincent/C-9359-2012; Rueff, Jean-Pascal/D-8938-2016 OI Bibes, Manuel/0000-0002-6704-3422; Rueff, Jean-Pascal/0000-0003-3594-918X FU French Agence Nationale de la Recherche NOMILOPS project [ANR-11-BS10-0016]; EU [312483]; European Research Council (ERC Advanced Grant FEMMES) [267579]; ERC Consolidator Grant MINT [615759]; Army Research Office, under the Multidisciplinary University Research Initiative [W911-NF-09-1-0398]; Office of Science, Office of Basic Energy Sciences, the Materials Sciences and Engineering Division under the Department of Energy [DE-AC02-05CH11231]; "Laboratoire d'Excellence Physics Atom Light Matter" (LabEx PALM) "Investissements d'Avenir" [ANR-10-LABX-0039] FX This work was supported by the French Agence Nationale de la Recherche NOMILOPS project (ANR-11-BS10-0016) and seventh framework EU program ESTEEM2 (grant agreement 312483). We acknowledge financial support from the European Research Council (ERC Advanced Grant FEMMES, No. 267579) and ERC Consolidator Grant MINT, No. 615759. J.E.R., J.P.R., and C.S.F. acknowledge the support of a public grant from the "Laboratoire d'Excellence Physics Atom Light Matter" (LabEx PALM) overseen by the ANR as part of the "Investissements d'Avenir" program (reference: ANR-10-LABX-0039). S.N. and C.S.F. acknowledge partial support from the Army Research Office, under the Multidisciplinary University Research Initiative Grant W911-NF-09-1-0398. C.S.F. is also supported for salary from the Director, Office of Science, Office of Basic Energy Sciences, the Materials Sciences and Engineering Division under the Department of Energy Contract No. DE-AC02-05CH11231), and Beam line 9.3.1 of the Advanced Light Source, at which some of the HAXPES was performed, is also supported under the same contract. NR 42 TC 9 Z9 9 U1 9 U2 80 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD APR PY 2015 VL 15 IS 4 BP 2533 EP 2541 DI 10.1021/acs.nanolett.5b00104 PG 9 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CF7QA UT WOS:000352750200048 PM 25768912 ER PT J AU Bradley, AJ Ugeda, MM da Jornada, FH Qiu, DY Ruan, W Zhang, Y Wickenburg, S Riss, A Lu, J Mo, SK Hussain, Z Shen, ZX Louie, SG Crommie, MF AF Bradley, Aaron J. Ugeda, Miguel M. da Jornada, Felipe H. Qiu, Diana Y. Ruan, Wei Zhang, Yi Wickenburg, Sebastian Riss, Alexander Lu, Jiong Mo, Sung-Kwan Hussain, Zahid Shen, Zhi-Xun Louie, Steven G. Crommie, Michael F. TI Probing the Role of Interlayer Coupling and Coulomb Interactions on Electronic Structure in Few-Layer MoSe2 Nanostructures SO NANO LETTERS LA English DT Article DE transition metal dichalcogenide; graphene; quasiparticle bandgap; Coulomb interaction; screening; STM/STS ID QUASI-PARTICLE; MONOLAYER MOS2; VALLEY POLARIZATION AB Despite the weak nature of interlayer forces in transition metal dichalcogenide (TMD) materials, their properties are highly dependent on the number of layers in the few-layer two-dimensional (2D) limit. Here, we present a combined scanning tunneling microscopy/spectroscopy and GW theoretical study of the electronic structure of high quality single- and few-layer MoSe2 grown on bilayer graphene. We find that the electronic (quasiparticle) bandgap, a fundamental parameter for transport and optical phenomena, decreases by nearly one electronvolt when going from one layer to three due to interlayer coupling and screening effects. Our results paint a clear picture of the evolution of the electronic wave function hybridization in the valleys of both the valence and conduction bands as the number of layers is changed. This demonstrates the importance of layer number and electron-electron interactions on van der Waals heterostructures and helps to clarify how their electronic properties might be tuned in future 2D nanodevices. C1 [Bradley, Aaron J.; Ugeda, Miguel M.; da Jornada, Felipe H.; Qiu, Diana Y.; Ruan, Wei; Wickenburg, Sebastian; Riss, Alexander; Lu, Jiong; Louie, Steven G.; Crommie, Michael F.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [da Jornada, Felipe H.; Qiu, Diana Y.; Wickenburg, Sebastian; Louie, Steven G.; Crommie, Michael F.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Ruan, Wei] Tsinghua Univ, Dept Phys, State Key Lab Low Dimens Quantum Phys, Beijing 100084, Peoples R China. [Zhang, Yi; Mo, Sung-Kwan; Hussain, Zahid] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Zhang, Yi; Shen, Zhi-Xun] SLAC Natl Accelerator Lab, Stanford Inst Mat & Energy Sci, Menlo Pk, CA 94025 USA. [Lu, Jiong] Natl Univ Singapore, Ctr Adv Mat 2D, Singapore 117546, Singapore. [Lu, Jiong] Natl Univ Singapore, Graphene Res Ctr, Singapore 117546, Singapore. [Shen, Zhi-Xun] Stanford Univ, Dept Phys, Geballe Lab Adv Mat, Stanford, CA 94305 USA. [Shen, Zhi-Xun] Stanford Univ, Dept Appl Phys, Geballe Lab Adv Mat, Stanford, CA 94305 USA. [Crommie, Michael F.] Univ Calif Berkeley, Kavli Energy NanoSci Inst, Berkeley, CA 94720 USA. [Crommie, Michael F.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Ugeda, MM (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. EM mmugeda@berkeley.edu; crommie@berkeley.edu RI Zhang, Yi/J-9025-2013; Mo, Sung-Kwan/F-3489-2013; Moreno Ugeda, Miguel/N-3006-2016; Lu, Jiong/D-8218-2014 OI Zhang, Yi/0000-0003-1204-8717; Mo, Sung-Kwan/0000-0003-0711-8514; Riss, Alexander/0000-0002-3212-7925; Lu, Jiong/0000-0002-3690-8235 FU Office of Basic Energy Sciences, Department of Energy sp2 Program (STM instrumentation development and operation); SciDAC Program on Excited State Phenomena in Energy Materials - U.S. Department of Energy, Office of Basic Energy Sciences and of Advanced Scientific Computing Research at Lawrence Berkeley National Laboratory [DE-AC02-05CH11231]; National Science Foundation [DMR-1206512, DMR10-1006184]; National Research Foundation, Prime Minister Office, Singapore, under Medium Sized Centre Program; CRP [R-144-000-295-281]; Austrian Science Fund (FWF) [J3026-N16] FX This research was supported by Office of Basic Energy Sciences, Department of Energy sp2 Program (STM instrumentation development and operation) and the SciDAC Program on Excited State Phenomena in Energy Materials funded by the U.S. Department of Energy, Office of Basic Energy Sciences and of Advanced Scientific Computing Research, under Contract No. DE-AC02-05CH11231 at Lawrence Berkeley National Laboratory, and which provided for algorithm and code developments and simulations. Support also provided by National Science Foundation awards no. DMR-1206512 (image analysis) and no. DMR10-1006184 (basic theory and formalism). Computational resources have been provided by the NSF through XSEDE resources at NICS and DOE at NERSC. J.L. acknowledges the National Research Foundation, Prime Minister Office, Singapore, under its Medium Sized Centre Program and CRP award "Novel 2D materials with tailored properties: beyond graphene" (R-144-000-295-281). A.R. acknowledges fellowship support by the Austrian Science Fund (FWF): J3026-N16. STM/STS data were analyzed and rendered using WSxM software.27 NR 27 TC 25 Z9 25 U1 27 U2 207 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD APR PY 2015 VL 15 IS 4 BP 2594 EP 2599 DI 10.1021/acs.nanolett.5b00160 PG 6 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CF7QA UT WOS:000352750200057 PM 25775022 ER PT J AU Klee, V Preciado, E Barroso, D Nguyen, AE Lee, C Erickson, KJ Triplett, M Davis, B Lu, IH Bobek, S McKinley, J Martinez, JP Mann, J Talin, AA Bartels, L Leonard, F AF Klee, Velveth Preciado, Edwin Barroso, David Nguyen, Ariana E. Lee, Chris Erickson, Kristopher J. Triplett, Mark Davis, Brandon Lu, I-Hsi Bobek, Sarah McKinley, Jessica Martinez, Joseph P. Mann, John Talin, A. Alec Bartels, Ludwig Leonard, Francois TI Superlinear Composition-Dependent Photocurrent in CVD-Grown Monolayer MoS2(1-x)Se2x Alloy Devices SO NANO LETTERS LA English DT Article DE Transition metal dichalcogenides; photocurrent; superlinear; alloys; MoS2; MoSe2 ID SINGLE-LAYER MOS2; PHOTOLUMINESCENCE; PHOTOTRANSISTORS; SEMICONDUCTORS; TRANSISTORS; DEFECTS; FILMS; BAND AB Transition metal dichalcogenides (TMDs) have emerged as a new class of two-dimensional materials that are promising for electronics and photonics. To date, optoelectronic measurements in these materials have shown the conventional behavior expected from photoconductors such as a linear or sublinear dependence of the photocurrent on light intensity. Here, we report the observation of a new regime of operation where the photocurrent depends superlinearly on light intensity. We use spatially resolved photocurrent measurements on devices consisting of CVD-grown monolayers of TMD alloys spanning MoS2 to MoSe2 to show the photoconductive nature of the photoresponse, with the photocurrent dominated by recombination and field-induced carrier separation in the channel. Time-dependent photoconductivity measurements show the presence of persistent photoconductivity for the S-rich alloys, while photocurrent measurements at fixed wavelength for devices of different alloy compositions show a systematic decrease of the responsivity with increasing Se content associated with increased linearity of the current-voltage characteristics. A model based on the presence of different types of recombination centers is presented to explain the origin of the superlinear dependence on light intensity, which emerges when the nonequilibrium occupancy of initially empty fast recombination centers becomes comparable to that of slow recombination centers C1 [Klee, Velveth; Preciado, Edwin; Barroso, David; Nguyen, Ariana E.; Lee, Chris; Davis, Brandon; Lu, I-Hsi; Bobek, Sarah; McKinley, Jessica; Martinez, Joseph P.; Mann, John; Bartels, Ludwig] Univ Calif Riverside, Mat Sci & Engn Program, Riverside, CA 92521 USA. [Klee, Velveth; Preciado, Edwin; Barroso, David; Nguyen, Ariana E.; Lee, Chris; Davis, Brandon; Lu, I-Hsi; Bobek, Sarah; McKinley, Jessica; Martinez, Joseph P.; Mann, John; Bartels, Ludwig] Univ Calif Riverside, Dept Chem, Riverside, CA 92521 USA. [Klee, Velveth; Preciado, Edwin; Barroso, David; Nguyen, Ariana E.; Lee, Chris; Davis, Brandon; Lu, I-Hsi; Bobek, Sarah; McKinley, Jessica; Martinez, Joseph P.; Mann, John; Bartels, Ludwig] Univ Calif Riverside, Dept Mech Engn, Riverside, CA 92521 USA. [Erickson, Kristopher J.; Triplett, Mark; Talin, A. Alec; Leonard, Francois] Sandia Natl Labs, Livermore, CA 94551 USA. RP Bartels, L (reprint author), Univ Calif Riverside, Mat Sci & Engn Program, Riverside, CA 92521 USA. EM bartels@ucr.edu; fleonar@sandia.gov FU U.S. National Science Foundation [DMR-1106210, DMR-1449601]; C-SPIN, a Semiconductor Research Corporation program - MARCO; C-SPIN, a Semiconductor Research Corporation program - DARPA; U.S. Department of Energy (DOE) [DE-FG02-07ER46354]; DOE's National Nuclear Security Administration [DE-AC04-94AL85000] FX Electronic, optoelectronic, and optothermal measurements were performed at Sandia National Laboratories. Sample preparation and device fabrication proceeded at UCR funded by the U.S. National Science Foundation under Grants No. DMR-1106210 and DMR-1449601, and by C-SPIN, a Semiconductor Research Corporation program sponsored by MARCO and DARPA, respectively, and utilizing equipment partially obtained through a grant from the U.S. Department of Energy (DOE) under Grant No. DE-FG02-07ER46354. Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the DOE's National Nuclear Security Administration under Contract No. DE-AC04-94AL85000. We thank Bernice Mills for use of the infrared camera. NR 29 TC 25 Z9 25 U1 16 U2 131 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD APR PY 2015 VL 15 IS 4 BP 2612 EP 2619 DI 10.1021/acs.nanolett.5b00190 PG 8 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CF7QA UT WOS:000352750200060 PM 25723259 ER PT J AU Robel, I Shabaev, A Lee, DC Schaller, RD Pietryga, JM Crooker, SA Efros, AL Klimov, VI AF Robel, Istvan Shabaev, Andrew Lee, Doh C. Schaller, Richard D. Pietryga, Jeffrey M. Crooker, Scott A. Efros, Alexander L. Klimov, Victor I. TI Temperature and Magnetic-Field Dependence of Radiative Decay in Colloidal Germanium Quantum Dots SO NANO LETTERS LA English DT Article DE Germanium; nanooystal; quantum dot; dark and bright exciton; electron-hole exchange interaction; photoluminescence; magnetic field ID ABSORPTION-EDGE SPECTRUM; VISIBLE-LIGHT EMISSION; SILICON NANOCRYSTALS; SI NANOCRYSTALS; SEMICONDUCTOR NANOCRYSTALS; GE NANOCRYSTALS; FINE-STRUCTURE; DARK-EXCITON; PHOTOLUMINESCENCE; LUMINESCENCE AB We conduct spectroscopic and theoretical studies of photoluminescence (PL) from Ge quantum dots (QDs) fabricated via colloidal synthesis. The dynamics of late-time PL exhibit a pronounced dependence on temperature and applied magnetic field, which can be explained by radiative decay involving two closely spaced, slowly emitting exciton states. In 3.5 nm QDs, these states are separated by similar to 1 meV and are characterized by similar to 82 mu s and similar to 18 mu s lifetimes. By using a four-band formalism, we calculate the fine structure of the indirect band-edge exciton arising from the electron-hole exchange interaction and the Coulomb interaction of the G-point hole with the anisotropic charge density of the Gamma-point electron. The calculations suggest that the observed PL dynamics can be explained by phonon-assisted recombination of excitons thermally distributed between the lower-energy "dark" state with the momentum projection J = +/- 2 and a higher energy "bright" state with J = +/- 1. A fairly small difference between lifetimes of these states is due to their mixing induced by the exchange term unique to crystals with a highly symmetric cubic lattice such as Ge. C1 [Robel, Istvan; Lee, Doh C.; Schaller, Richard D.; Pietryga, Jeffrey M.; Klimov, Victor I.] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. [Crooker, Scott A.] Los Alamos Natl Lab, Natl High Magnet Field Lab, Los Alamos, NM 87545 USA. [Shabaev, Andrew] George Mason Univ, Sch Phys Astron & Computat Sci, Fairfax, VA 22030 USA. [Efros, Alexander L.] Naval Res Lab, Washington, DC 20375 USA. RP Klimov, VI (reprint author), Los Alamos Natl Lab, Div Chem, POB 1663, Los Alamos, NM 87545 USA. EM klimov@lanl.gov RI Lee, Doh Chang/C-1835-2011; Robel, Istvan/D-4124-2011; OI Robel, Istvan/0000-0002-9738-7728; Klimov, Victor/0000-0003-1158-3179 FU Chemical Sciences, Biosciences and Geosciences Division, Office of Basic Energy Sciences (BES), Office of Science (OS), U.S. Department of Energy (DOE); Center for Advanced Solar Photophysics (CASP) an Energy Frontier Research Center - BES, OS, U.S. DOE; Office of Naval Research through the Naval Research Laboratory Basic Research Program FX I.R., D.C.L, R.D.S., J.M.P., SAC., and V.I.K. were supported by the Chemical Sciences, Biosciences and Geosciences Division, Office of Basic Energy Sciences (BES), Office of Science (OS), U.S. Department of Energy (DOE). AS. was supported by the Center for Advanced Solar Photophysics (CASP) an Energy Frontier Research Center funded by BES, OS, U.S. DOE. A.L.E. acknowledges financial support of the Office of Naval Research through the Naval Research Laboratory Basic Research Program. NR 58 TC 3 Z9 3 U1 4 U2 72 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD APR PY 2015 VL 15 IS 4 BP 2685 EP 2692 DI 10.1021/acs.nanolett.5b00344 PG 8 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CF7QA UT WOS:000352750200071 PM 25793644 ER PT J AU Wu, JB Gao, WP Wen, JG Miller, DJ Lu, P Zuo, JM Yang, H AF Wu, Jianbo Gao, Wenpei Wen, Jianguo Miller, Dean J. Lu, Ping Zuo, Jian-Min Yang, Hong TI Growth of Au on Pt Icosahedral Nanoparticles Revealed by Low-Dose In Situ TEM SO NANO LETTERS LA English DT Article DE In situ TEM; flow cell; growth; platinum; nanoparticle ID TRANSMISSION ELECTRON-MICROSCOPY; OXYGEN-REDUCTION ELECTROCATALYSTS; CORE-SHELL NANOPARTICLES; SOLID-LIQUID INTERFACE; PLATINUM; PD; NANOCRYSTALS; GOLD; CHEMISTRY; PD/AU AB A growth mode was revealed by an in situ TEM study of nucleation and growth of Au on Pt icosahedral nanoparticles. Quantitative analysis of growth kinetics was carried out based on real-time TEM data, which shows the process involves: (1) deposition of Au on corner sites of Pt icosahedral nanoparticles, (2) diffusion of Au from corners to terraces and edges, and (3) subsequent layer-by-layer growth of Au on Au surfaces to form Pt@Au core-shell nanoparticles. The in situ TEM results indicate diffusion of Au from corner islands to terraces and edges is a kinetically controlled growth, as evidenced by a measurement of diffusion coefficients for these growth processes. We demonstrated that in situ electron microscopy is a valuable tool for quantitative study of nucleation and growth kinetics and can provide new insight into the design and precise control of heterogeneous nanostructures. C1 [Wu, Jianbo; Gao, Wenpei; Zuo, Jian-Min] Univ Illinois, Dept Mat Sci & Engn, Urbana, IL 61801 USA. [Wu, Jianbo; Yang, Hong] Univ Illinois, Dept Chem & Biomol Engn, Urbana, IL 61801 USA. [Wu, Jianbo; Gao, Wenpei; Zuo, Jian-Min] Univ Illinois, Frederick Seitz Mat Res Lab, Urbana, IL 61801 USA. [Wen, Jianguo; Miller, Dean J.] Argonne Natl Lab, Ctr Nanoscale Mat, Electron Microscopy Ctr, Argonne, IL 60439 USA. [Lu, Ping] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Zuo, JM (reprint author), Univ Illinois, Dept Mat Sci & Engn, 1304 West Green St, Urbana, IL 61801 USA. EM jianzuo@illinois.edu; hy66@illinois.edu RI Yang, Hong/G-1583-2012 OI Yang, Hong/0000-0003-3459-4516 FU US National Science Foundation [CHE-1213926]; University of Illinois; Department of Energy [DEFG02-01ER45923]; Shen Fellowship from Department of Chemical and Biomolecular Engineering at University of Illinois; NSF [DMR-1006077]; U.S. Department of Energy, Office of Science [DE-AC02-06CH11357]; US Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was supported in part by US National Science Foundation (Grant No.: CHE-1213926 to H.Y.) and University of Illinois (H.Y.). J.B.W. was partially supported by Department of Energy (50%, Grant no.: DEFG02-01ER45923 to J.M.Z.) and the Shen Fellowship (50%) from Department of Chemical and Biomolecular Engineering at University of Illinois. W.P.G. is supported by NSF (Grant No.: DMR-1006077 to JMZ). Use of the Center for Nanoscale Materials, including the resources of the Electron Microscopy Center, is supported by the U.S. Department of Energy, Office of Science under Contract No. DE-AC02-06CH11357. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the US Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. We thank Thao Ngo for helpful discussion. NR 43 TC 21 Z9 21 U1 23 U2 127 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD APR PY 2015 VL 15 IS 4 BP 2711 EP 2715 DI 10.1021/acs.nanolett.5b00414 PG 5 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CF7QA UT WOS:000352750200075 PM 25723499 ER PT J AU Neudecker, D Capote, R Smith, DL Burr, T Talou, P AF Neudecker, D. Capote, R. Smith, D. L. Burr, T. Talou, P. TI Impact of the Normalization Condition and Model Information on Evaluated Prompt Fission Neutron Spectra and Associated Uncertainties SO NUCLEAR SCIENCE AND ENGINEERING LA English DT Article ID PLUTONIUM ISOTOPES; CROSS-SECTIONS; PRODUCT YIELDS; NUCLEAR-DATA; QUANTIFICATION; ENERGY; PU-239; COEFFICIENTS; COVARIANCES; VARIABLES AB Low evaluated uncertainties compared to experimental information and a strong model impact were observed in some prompt fission neutron spectrum (PFNS) evaluations that include mean values and covariances stemming from a rigid model. Here, we show by studying the (PU)-P-239 PFNS ENDF/B-VII.1 evaluation via generalized least-squares analyses that strong model correlations in combination with the normalization condition on the estimated PFNS and its covariances result in surprisingly low evaluated uncertainties. Furthermore, the model changes the evaluated results by > 1 sigma of combined experimental uncertainties near the average outgoing neutron energy (similar to 2 MeV). We show both analytically and by means of representative numerical examples that the normalization condition on the spectrum and its covariances naturally leads to uncertainties reduced by a fully positively correlated scaling uncertainty. C1 [Neudecker, D.; Talou, P.] Los Alamos Natl Lab, Div Theoret, Nucl & Particle Phys Astrophys & Cosmol T2, Los Alamos, NM 87544 USA. [Capote, R.] IAEA, Nucl Data Sect, A-1400 Vienna, Austria. [Smith, D. L.] Argonne Natl Lab, Nucl Engn Div, Argonne, IL 60439 USA. [Burr, T.] Los Alamos Natl Lab, Stat Sci CCS6, Los Alamos, NM USA. RP Neudecker, D (reprint author), Los Alamos Natl Lab, Div Theoret, Nucl & Particle Phys Astrophys & Cosmol T2, Los Alamos, NM 87544 USA. EM dneudecker@lanl.gov RI Capote Noy, Roberto/M-1245-2014 OI Capote Noy, Roberto/0000-0002-1799-3438 FU National Nuclear Security Administration of the U.S. Department of Energy at Los Alamos National Laboratory [DE-AC52-06NA25396] FX One of the authors (D.N.) wants to thank T. Kawano for helpful and insightful discussions and M. Rising for helpful comments. This work was partly carried out under the auspices of the National Nuclear Security Administration of the U.S. Department of Energy at Los Alamos National Laboratory under contract DE-AC52-06NA25396. NR 45 TC 3 Z9 3 U1 1 U2 3 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 0029-5639 EI 1943-748X J9 NUCL SCI ENG JI Nucl. Sci. Eng. PD APR PY 2015 VL 179 IS 4 BP 381 EP 397 PG 17 WC Nuclear Science & Technology SC Nuclear Science & Technology GA CF3QL UT WOS:000352463500003 ER PT J AU Brown, GW Sandstrom, MM Preston, DN Pollard, CJ Warner, KF Sorensen, DN Remmers, DL Phillips, JJ Shelley, TJ Reyes, JA Hsu, PC Reynolds, JG AF Brown, Geoffrey W. Sandstrom, Mary M. Preston, Daniel N. Pollard, Colin J. Warner, Kirstin F. Sorensen, Daniel N. Remmers, Daniel L. Phillips, Jason J. Shelley, Timothy J. Reyes, Jose A. Hsu, Peter C. Reynolds, John G. TI Statistical Analysis of an Inter-Laboratory Comparison of Small-Scale Safety and Thermal Testing of RDX SO PROPELLANTS EXPLOSIVES PYROTECHNICS LA English DT Article DE Small-scale safety testing; Thermal screening; RDX; Round-robin test; Proficiency test; Statistical evaluation ID REDUCED-SENSITIVITY RDX AB The Integrated Data Collection Analysis (IDCA) program has conducted a proficiency test for small-scale safety and thermal (SSST) testing of homemade explosives (HMEs). Described here are statistical analyses of the results from this test for impact, friction, electrostatic discharge, and differential scanning calorimetry analysis of the RDX Class 5 Type II standard. The material was tested as a well-characterized standard several times during the proficiency test to assess differences among participants and the range of results that may arise for well-behaved explosive materials. The analyses show there are detectable differences among the results from IDCA participants. While these differences are statistically significant, most of them can be justified for comparison purposes to assess potential variability when laboratories attempt to measure identical samples using methods assumed to be nominally the same. The results presented in this report include the average sensitivity results from the IDCA participants and the ranges of values obtained. The ranges represent variation about the mean values of the tests of between 26% and 42%. The magnitude of this variation is attributed to differences in operator, method, and environment as well as the use of different instruments that are also of varying age. The results appear to be a good representation of results generated by the broader safety testing community based on the range of methods, instruments, and environments included in the IDCA proficiency test. C1 [Brown, Geoffrey W.; Sandstrom, Mary M.; Preston, Daniel N.; Pollard, Colin J.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Warner, Kirstin F.; Sorensen, Daniel N.; Remmers, Daniel L.] NSWC IHD, Indian Head, MD USA. [Phillips, Jason J.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Shelley, Timothy J.] Bur Alcohol Tobacco & Firearms, Redstone Arsenal, AL USA. [Reyes, Jose A.] Appl Res Associates, Tyndall AFB, FL USA. [Hsu, Peter C.; Reynolds, John G.] Lawrence Livermore Natl Lab, Livermore, CA USA. RP Brown, GW (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. EM reynolds3@llnl.gov FU Los Alamos National Laboratory; Lawrence Livermore National Laboratory; Sandia National Laboratories; Air Force Research Laboratory; Indian Head Division, Naval Surface Warfare - U.S. Department of Homeland Security, Science and Technology Directorate, Explosives Division; U.S. Department of Energy [DE-AC52-06NA25396]; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; [HSHQDC10X00414] FX The authors thank Doug Bauer, Laura J. Parker, and Greg Struba for their enthusiastic support. This work was performed by the Integrated Data Collection Analysis (IDCA) Program, a five-lab effort supported by Los Alamos National Laboratory, Lawrence Livermore National Laboratory, Sandia National Laboratories, the Air Force Research Laboratory, and Indian Head Division, Naval Surface Warfare under sponsorship of the U.S. Department of Homeland Security, Science and Technology Directorate, Explosives Division. Los Alamos National Laboratory is operated by Los Alamos National Security, LLC, for the U.S. Department of Energy under Contract DE-AC52-06NA25396. Sandia is a multi-program laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the U.S. Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. The Air Force Research Laboratory and Indian Head Division, Naval Surface Warfare also performed work in support of this effort under contract HSHQDC10X00414. LLNL-JRNL-653393 (773655). NR 29 TC 5 Z9 5 U1 0 U2 8 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 0721-3115 EI 1521-4087 J9 PROPELL EXPLOS PYROT JI Propellants Explos. Pyrotech. PD APR PY 2015 VL 40 IS 2 BP 221 EP 232 DI 10.1002/prep.201400191 PG 12 WC Chemistry, Applied; Engineering, Chemical SC Chemistry; Engineering GA CF5XG UT WOS:000352630000010 ER PT J AU Souers, PC Minich, R AF Souers, P. Clark Minich, Roger TI Cylinder Test Correction for Copper Work Hardening and Spall SO PROPELLANTS EXPLOSIVES PYROTECHNICS LA English DT Article DE Cylinder test; Detonation energy; OFHC copper; Work hardening; Spall ID HIGH-STRAIN-RATE; MODEL; DEFORMATION; STRENGTH; ALUMINUM; STRESS AB As a basis for the corrections to be discussed, an analytical equation is first presented for calculating detonation energy densities from copper wall velocities in the Cylinder test. Steinberg-Guinan work hardening is sufficient for the Cylinder problem, between 1 and 60GPa, with a change of Y-o to 0.10kJcm(-3) for annealed copper. An air gap correction was the first to be applied, which is a function of the initial air gap width and the tilt angle of the cylinder. Irreversible heat loss was also found to be a small error. Spall is calibrated using new copper gun shot data and this energy is also small. The model up through work hardening agrees with the code, which does not contain heat loss or spall, both of which equal the error of repetitive calculation. The effect of the many additions to the original Gurney energy is shown. C1 [Souers, P. Clark; Minich, Roger] Lawrence Livermore Natl Lab, Energet Mat Ctr, Livermore, CA 94550 USA. RP Souers, PC (reprint author), Lawrence Livermore Natl Lab, Energet Mat Ctr, Livermore, CA 94550 USA. EM souers1@llnl.gov FU U. S. Department of Energy by Lawrence Livermore National Laboratory [DE-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. We would like to thank Grant Bazan for his help in getting the copper models running and Mukal Kumar for a discussion on work hardening. NR 27 TC 0 Z9 0 U1 1 U2 3 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 0721-3115 EI 1521-4087 J9 PROPELL EXPLOS PYROT JI Propellants Explos. Pyrotech. PD APR PY 2015 VL 40 IS 2 BP 238 EP 245 DI 10.1002/prep.201400135 PG 8 WC Chemistry, Applied; Engineering, Chemical SC Chemistry; Engineering GA CF5XG UT WOS:000352630000012 ER PT J AU Levesque, GA Vitello, P AF Levesque, George Arthur Vitello, Peter TI The Effect of Pore Morphology on Hot Spot Temperature SO PROPELLANTS EXPLOSIVES PYROTECHNICS LA English DT Article DE Pore collapse; Microscale simulation; Explosive initiation; Pore shape ID COLLAPSE AB Composite explosives contain pores that collapse under shock wave interaction generating localized regions of heat known to be important in the initiation of high explosives. Understanding pore collapse under shock loading is essential to create predictive reactive flow models to simulate the initiation process. While spherical pore collapse has been thoroughly simulated, other geometries have been relatively neglected. Simulating microoscale hot spot nucleation, we analyze the effect of pore morphology on the post-shock hot spot temperature. Several pore morphologies that yield higher temperatures than the spherical case are revealed and discussed. This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. C1 [Levesque, George Arthur; Vitello, Peter] Lawrence Livermore Natl Lab, Phys & Life Sci, Livermore, CA 94550 USA. RP Levesque, GA (reprint author), Lawrence Livermore Natl Lab, Phys & Life Sci, 7000 East Ave,L 288, Livermore, CA 94550 USA. EM Levesque6@llnl.gov FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-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 24 TC 3 Z9 3 U1 1 U2 5 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 0721-3115 EI 1521-4087 J9 PROPELL EXPLOS PYROT JI Propellants Explos. Pyrotech. PD APR PY 2015 VL 40 IS 2 BP 303 EP 308 DI 10.1002/prep.201400184 PG 6 WC Chemistry, Applied; Engineering, Chemical SC Chemistry; Engineering GA CF5XG UT WOS:000352630000020 ER PT J AU Page, RC Espinobarro-Velazquez, D Leontiadou, MA Smith, C Lewis, EA Haigh, SJ Li, C Radtke, H Pengpad, A Bondino, F Magnano, E Pis, I Flavell, WR O'Brien, P Binks, DJ AF Page, Robert C. Espinobarro-Velazquez, Daniel Leontiadou, Marina A. Smith, Charles Lewis, Edward A. Haigh, Sarah J. Li, Chen Radtke, Hanna Pengpad, Atip Bondino, Federica Magnano, Elena Pis, Igor Flavell, Wendy R. O'Brien, Paul Binks, David J. TI Near-Unity Quantum Yields from Chloride Treated CdTe Colloidal Quantum Dots SO SMALL LA English DT Article ID ATOMIC-LIGAND PASSIVATION; SOLAR-CELLS; SOLIDS; PHOTOVOLTAICS AB Colloidal quantum dots (CQDs) are promising materials for novel light sources and solar energy conversion. However, trap states associated with the CQD surface can produce non-radiative charge recombination that significantly reduces device performance. Here a facile post-synthetic treatment of CdTe CQDs is demonstrated that uses chloride ions to achieve near-complete suppression of surface trapping, resulting in an increase of photoluminescence (PL) quantum yield (QY) from ca. 5% to up to 97.2 +/- 2.5%. The effect of the treatment is characterised by absorption and PL spectroscopy, PL decay, scanning transmission electron microscopy, X-ray diffraction and X-ray photoelectron spectroscopy. This process also dramatically improves the air-stability of the CQDs: before treatment the PL is largely quenched after 1 hour of air-exposure, whilst the treated samples showed a PL QY of nearly 50% after more than 12 hours. C1 [Espinobarro-Velazquez, Daniel; Leontiadou, Marina A.; Smith, Charles; Radtke, Hanna; Pengpad, Atip; Flavell, Wendy R.; Binks, David J.] Univ Manchester, Sch Phys & Astron, Manchester M13 9PL, Lancs, England. [Espinobarro-Velazquez, Daniel; Leontiadou, Marina A.; Smith, Charles; Radtke, Hanna; Pengpad, Atip; Flavell, Wendy R.; Binks, David J.] Univ Manchester, Photon Sci Inst, Manchester M13 9PL, Lancs, England. [Page, Robert C.; O'Brien, Paul] Univ Manchester, Sch Chem, FRS, Manchester M13 9PL, Lancs, England. [Lewis, Edward A.; Haigh, Sarah J.] Univ Manchester, Sch Mat, Manchester M13 9PL, Lancs, England. [Bondino, Federica; Magnano, Elena; Pis, Igor] IOM CNR, Lab Nazl TASC, I-34149 Basovizza, TS, Italy. [Li, Chen] Vanderbilt Univ, Dept Chem, Nashville, TN 37235 USA. [Li, Chen] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Binks, DJ (reprint author), Univ Manchester, Sch Phys & Astron, Manchester M13 9PL, Lancs, England. EM david.binks@manchester.ac.uk RI Haigh, Sarah/D-1309-2014; Leontiadou, Marina/F-1305-2017; OI Haigh, Sarah/0000-0001-5509-6706; Leontiadou, Marina/0000-0003-2616-1841; Flavell, Wendy/0000-0002-2457-3669; Bondino, Federica/0000-0001-6505-9319 FU EPSRC [EP/K008544/1]; European Community [226716]; Defence Threat Reduction Agency (DTRA) USA [HDTRA1-12-1-0013]; HM Government (UK); Materials Science and Engineering Division, Oak Ridge National Laboratory, Office of Basic Energy Sciences, U.S. Department of Energy FX This work was funded by the EPSRC under grant EP/K008544/1. The experimental work at Elettra was also funded under The European Community's Seventh Framework Programme (FP7/20072013) under grant agreement no. 226716. We thank the BACH beamline technician, F Salvador, for his assistance. We thank the BACH beamline technician, F Salvador, for his assistance. S.J.H. acknowledges funding from the Defence Threat Reduction Agency (DTRA) USA (grant number HDTRA1-12-1-0013). The Titan 80-200kV ChemiSTEM (TM) was funded through HM Government (UK) and is associated with the University of Manchester Nuclear Manufacturing (NUMAN) capabilities. The NION UltraSTEM is supported by funding from the Materials Science and Engineering Division, Oak Ridge National Laboratory, Office of Basic Energy Sciences, U.S. Department of Energy. NR 29 TC 17 Z9 17 U1 3 U2 37 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1613-6810 EI 1613-6829 J9 SMALL JI Small PD APR 1 PY 2015 VL 11 IS 13 BP 1548 EP 1554 DI 10.1002/smll.201402264 PG 7 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CF4WV UT WOS:000352555000008 PM 25348200 ER PT J AU Procter, AC Gill, RA Fay, PA Polley, HW Jackson, RB AF Procter, Andrew C. Gill, Richard A. Fay, Philip A. Polley, H. Wayne Jackson, Robert B. TI Soil carbon responses to past and future CO2 in three Texas prairie soils SO SOIL BIOLOGY & BIOCHEMISTRY LA English DT Article DE Elevated CO2; Gradient; Grassland; Soil carbon; Decomposition; Soil type ID ELEVATED ATMOSPHERIC CO2; WARM-TEMPERATE FOREST; ORGANIC-MATTER; DIOXIDE ENRICHMENT; GRASSLAND SOILS; MICROBIAL COMMUNITY; SPECIES COMPOSITION; NITROGEN; POOLS; PRODUCTIVITY AB Changes in soil carbon storage could affect and be affected by rising atmospheric CO2. However, it is unlikely that soils will respond uniformly, as some soils are more sensitive to changes in the amount and chemistry of plant tissue inputs whereas others are less sensitive because of mineralogical, textural, or microbial processes. We studied soil carbon and microbial responses to a preindustrial-to-future CO2 gradient (250-500 ppm) in a grassland ecosystem in the field. The ecosystem contains three soil types with clay fractions of 15%-55%: a sandy loam Alfisol, a silty clay Mollisol, and a black clay Vertisol. Soil and microbial responses to atmospheric CO2 are plant-mediated; and aboveground plant productivity in this ecosystem increased linearly with CO2 in the sandy loam and silty clay. Although total soil organic carbon (SOC) did not change with CO2 treatment after four growing seasons, fast-cycling SOC pools increased with CO2 in the two clay soils. Microbial biomass increased 18% and microbial activity increased 30% across the CO2 gradient in the black clay (55% clay), but neither factor changed with CO2 in the sandy loam (15% clay). Similarly, size fractionation of SOC showed that coarse POM-C, the youngest and most labile fraction, increased four-fold across the CO2 gradient in the black clay, but increased by only 50% across the gradient in the sandy loam. Interestingly, mineral-associated C, the oldest and most recalcitrant fraction, declined 23% across the gradient in the third soil type, a silty clay (45% clay). Our results provide evidence for priming in this soil type, as labile C availability and decomposition rate (measured as soil respiration and soil C mineralization) also increased across the CO2 gradient in the silty clay soil. In summary, CO2 enrichment in this grassland increased the fast-cycling SOC pool as in other CO2 studies, but only in the two high-clay soils. Priming in the silty clay could limit SOC accumulation after prolonged CO2 exposure. Because soil texture varies geographically, including data on soil types could enhance predictions of soil carbon and microbial responses to future CO2 levels. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Procter, Andrew C.] Duke Univ, Dept Biol, Durham, NC 27708 USA. [Gill, Richard A.] Brigham Young Univ, Dept Biol, Provo, UT 84602 USA. [Fay, Philip A.; Polley, H. Wayne] USDA ARS, Grassland Soil & Water Res Lab, Temple, TX 76502 USA. [Jackson, Robert B.] Duke Univ, Nicholas Sch Environm, Durham, NC 27708 USA. [Jackson, Robert B.] Stanford Univ, Sch Earth Sci, Stanford, CA 94305 USA. RP Procter, AC (reprint author), US EPA, ORISE, 109 TW Alexander Dr, Res Triangle Pk, NC 27711 USA. EM acprocter@gmail.com FU U.S. Department of Energy (Program in Ecosystem Research) [ER64242]; National Science Foundation (Graduate Research Fellowship Program); Sigma Xi; U.S. Department of Agriculture FX We thank John Kim and Sean Berthrong for their constructive criticism on earlier drafts of this manuscript. Virginia Jin determined field capacity of the soils used in the CO2 gradient, and provided soil samples for testing. Alexia Kelley helped with the incubation experiment and provided enzyme data. Chris Kolodziejczyk, Kyle liner, and Katherine Jones operated CO2 chambers. This project was supported by funding from the U.S. Department of Energy (Program in Ecosystem Research no. ER64242), the National Science Foundation (Graduate Research Fellowship Program), Sigma Xi, and the U.S. Department of Agriculture. Mention of trade names or commercial products in this publication does not imply recommendation or endorsement by the U.S. Department of Agriculture. USDA is an equal opportunity provider and employer. NR 57 TC 3 Z9 3 U1 7 U2 44 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0038-0717 J9 SOIL BIOL BIOCHEM JI Soil Biol. Biochem. PD APR PY 2015 VL 83 BP 66 EP 75 DI 10.1016/j.soilbio.2015.01.012 PG 10 WC Soil Science SC Agriculture GA CG1BA UT WOS:000353006800009 ER PT J AU Hickmann, KS Godinez, HC Henney, CJ Arge, CN AF Hickmann, Kyle S. Godinez, Humberto C. Henney, Carl J. Arge, C. Nick TI Data Assimilation in the ADAPT Photospheric Flux Transport Model SO SOLAR PHYSICS LA English DT Article DE Solar magnetic fields; Photosphere; Data assimilation ID TRANSFORM KALMAN FILTER; ATMOSPHERIC DATA ASSIMILATION; EFFICIENT DATA ASSIMILATION; PREDICTING SOLAR-CYCLES; MAGNETIC-FIELDS; MERIDIONAL FLOW; DYNAMO MODEL; ROTATION; SUN; CONVECTION AB Global maps of the solar photospheric magnetic flux are fundamental drivers for simulations of the corona and solar wind and therefore are important predictors of geoeffective events. However, observations of the solar photosphere are only made intermittently over approximately half of the solar surface. The Air Force Data Assimilative Photospheric Flux Transport (ADAPT) model uses localized ensemble Kalman filtering techniques to adjust a set of photospheric simulations to agree with the available observations. At the same time, this information is propagated to areas of the simulation that have not been observed. ADAPT implements a local ensemble transform Kalman filter (LETKF) to accomplish data assimilation, allowing the covariance structure of the flux-transport model to influence assimilation of photosphere observations while eliminating spurious correlations between ensemble members arising from a limited ensemble size. We give a detailed account of the implementation of the LETKF into ADAPT. Advantages of the LETKF scheme over previously implemented assimilation methods are highlighted. C1 [Hickmann, Kyle S.; Godinez, Humberto C.] Los Alamos Natl Lab, Appl Math & Plasma Phys Grp, Los Alamos, NM 87545 USA. [Henney, Carl J.; Arge, C. Nick] AFRL Space Vehicles Directorate, Albuquerque, NM USA. RP Hickmann, KS (reprint author), Los Alamos Natl Lab, Appl Math & Plasma Phys Grp, Los Alamos, NM 87545 USA. EM hickmank@lanl.gov; hgodinez@lanl.gov; cjhenney@gmail.com; cnarge63@gmail.com FU NASA Living With a Star project [NNA13AB92I]; Air Force Office of Scientific Research [R-3562-14-0] FX This research was primarily supported by NASA Living With a Star project #NNA13AB92I, "Data Assimilation for the Integrated Global-Sun Model". Additional support was provided by the Air Force Office of Scientific Research project R-3562-14-0, "Incorporation of Solar Far-Side Active Region Data within the Air Force Data Assimilative Photospheric Flux Transport (ADAPT) Model". The photospheric observations used in Figures 1, 3, and 4 were provided by SOLIS-VSM part of the NSO Integrated Synoptic Program (NISP), managed by the National Solar Observatory, which is operated by the Association of Universities for Research in Astronomy (AURA), Inc. under a cooperative agreement with the National Science Foundation. Approved for public release: LA-UR-14-27938. NR 47 TC 16 Z9 16 U1 0 U2 1 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0038-0938 EI 1573-093X J9 SOL PHYS JI Sol. Phys. PD APR PY 2015 VL 290 IS 4 BP 1105 EP 1118 DI 10.1007/s11207-015-0666-3 PG 14 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA CF6YU UT WOS:000352703700003 ER PT J AU Feng, SW Du, GH Chen, Y Kong, XL Li, G Guo, F AF Feng, S. W. Du, G. H. Chen, Y. Kong, X. L. Li, G. Guo, F. TI Simultaneous Radio and EUV Imaging of a Multi-lane Coronal Type II Radio Burst SO SOLAR PHYSICS LA English DT Article DE Solar radio bursts, type II; Coronal mass ejections ID MASS EJECTIONS; SOLAR CORONA; EMISSION; DIAGNOSTICS; WAVE AB A multi-lane solar type II radio burst was observed by several solar spectrographs on 16 February 2011. The event was also recorded by the Nan double dagger ay Radioheliograph (NRH) at several metric wavelengths, by the Atmospheric Imaging Assembly (AIA) onboard the Solar Dynamics Observatory (SDO), and by the Extreme Ultraviolet Imager (EUVI) onboard the Solar TErrestrial Relations Observatory (STEREO) in a number of EUV passbands. These multi-wavelength data provide a rare opportunity to reveal the emission source of the multiple type II lanes. Our study shows that all lanes are associated with a single EUV wave, presumably the radio-emitting shock. The EUV wave was driven by a coronal mass ejection (CME) associated with an M1.6 flare and a filament eruption. With the NRH data and the three-dimensional (3D) bow-shock reconstruction that we built using the multi-viewpoint data of the EUV wave, we are able to deduce the 3D coordinates of the radio sources. We conclude that all the three type II lanes originated from the western flank of the shock, with two of them from closely adjacent locations on the southern part, the other one from a distinct location on the northern part. This case study demonstrates how the type II origin can be pinpointed by combining analyses of different data sets. C1 [Feng, S. W.; Du, G. H.; Chen, Y.; Kong, X. L.] Shandong Univ, Shandong Prov Key Lab Opt Astron & Solar Terr Env, Weihai 264209, Peoples R China. [Feng, S. W.; Du, G. H.; Chen, Y.; Kong, X. L.] Shandong Univ, Inst Space Sci, Weihai 264209, Peoples R China. [Li, G.] Univ Alabama, Dept Space Sci, Huntsville, AL 35899 USA. [Li, G.] Univ Alabama, CSPAR, Huntsville, AL 35899 USA. [Guo, F.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Chen, Y (reprint author), Shandong Univ, Shandong Prov Key Lab Opt Astron & Solar Terr Env, Weihai 264209, Peoples R China. EM yaochen@sdu.edu.cn RI Guo, Fan/H-1723-2013; Chen, Yao/B-7255-2011; Kong, Xiangliang/D-9855-2012; OI Guo, Fan/0000-0003-4315-3755 FU Natural Science Foundation of Shandong Province [ZR2013DQ004, ZR2014DQ001]; NSF [ATM-0847719, AGS1135432]; [NSBRSF 2012CB825601]; [NNSFC U1431103]; [41274175]; [41331068] FX We are grateful to the STEREO, SDO, NRH, DAM, GBRSBS, RSTN/SGMR, and BLEM7M teams for making their data available to us. This work was supported by grants NSBRSF 2012CB825601, NNSFC U1431103, 41274175, 41331068, and the Natural Science Foundation of Shandong Province (ZR2013DQ004 and ZR2014DQ001). GL's work at UAHuntsivlle is supported by NSF grants ATM-0847719 and AGS1135432. NR 29 TC 7 Z9 8 U1 2 U2 6 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0038-0938 EI 1573-093X J9 SOL PHYS JI Sol. Phys. PD APR PY 2015 VL 290 IS 4 BP 1195 EP 1205 DI 10.1007/s11207-015-0673-4 PG 11 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA CF6YU UT WOS:000352703700009 ER PT J AU Yang, ZZ Gewirth, AA Trahey, L AF Yang, Zhenzhen Gewirth, Andrew A. Trahey, Lynn TI Investigation of Fluoroethylene Carbonate Effects on Tin-based Lithium-Ion Battery Electrodes SO ACS APPLIED MATERIALS & INTERFACES LA English DT Article DE FEC additive; tin anode; electrochemical quartz crystal microbalance; EQCM-D; LIB ID QUARTZ-CRYSTAL MICROBALANCE; X-RAY-DIFFRACTION; ELECTROCHEMICAL PERFORMANCE; SPECTROSCOPIC ELLIPSOMETRY; INTERFACIAL PROPERTIES; VINYLENE CARBONATE; FILM ELECTRODE; HIGH-CAPACITY; ANODE; SN AB Electroless plating of tin on copper foil (2-D) and foams (3-D) was used to create carbon- and binder-free thin films for solid electrolyte interphase (SEI) property investigation. When electrochemically cycled vs lithium metal in coin cells, the foam electrodes exhibited better cycling performance than the planar electrodes due to electrode curvature. The effect of the additive/cosolvent fluoroethylene carbonate (FEC) was found to drastically improve the capacity retention and Coulombic efficiency of the cells. The additive amount of 2% FEC is enough to derive the benefits in the cells at a slow (C/9) cycling rate. The interfacial properties of Sn thin film electrodes in electrolyte with/without FEC additive were investigated using in situ electrochemical quartz crystal microbalance with dissipation (EQCM-D). The processes of the decomposition of the electrolyte on the electrode surface and Li alloying/dealloying with Sn were characterized quantitatively by surface mass change at the molecular level. FEC-containing electrolytes deposited less than electrolyte without FEC on the initial reduction sweep, yet increased the overall thickness/mass of SEI after several cyclic voltammetry cycles. EQCM-D studies demonstrate that the mass accumulated per mole of electrons (mpe) was varied in different voltage ranges, which reveals that the reduction products of the electrolyte with/without FEC are different. C1 [Yang, Zhenzhen; Trahey, Lynn] Argonne Natl Lab, Chem Sci & Engn Div, Lemont, IL 60439 USA. [Gewirth, Andrew A.] Univ Illinois, Dept Chem, Urbana, IL 61801 USA. RP Trahey, L (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Lemont, IL 60439 USA. EM trahey@anl.gov FU Center for Electrochemical Energy Science, an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences FX This work was supported by the Center for Electrochemical Energy Science, an Energy Frontier Research Center funded by U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. NR 53 TC 15 Z9 15 U1 12 U2 120 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1944-8244 J9 ACS APPL MATER INTER JI ACS Appl. Mater. Interfaces PD APR 1 PY 2015 VL 7 IS 12 BP 6557 EP 6566 DI 10.1021/am508593s PG 10 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA CF0PM UT WOS:000352246700025 PM 25741901 ER PT J AU Jakes, JE Hunt, CG Yelle, DJ Lorenz, L Hirth, K Gleber, SC Vogt, S Grigsby, W Frihart, CR AF Jakes, Joseph E. Hunt, Christopher G. Yelle, Daniel J. Lorenz, Linda Hirth, Kolby Gleber, Sophie-Charlotte Vogt, Stefan Grigsby, Warren Frihart, Charles R. TI Synchrotron-based X-ray Fluorescence Microscopy in Conjunction with Nanoindentation to Study Molecular-Scale Interactions of Phenol-Formaldehyde in Wood Cell Walls SO ACS APPLIED MATERIALS & INTERFACES LA English DT Article DE X-ray fluorescence microscopy; nanoindentation; wood; adhesive; infiltration ID FIBER SATURATION POINT; PENETRATION; INTERPHASE; SHRINKAGE; RESIN AB Understanding and controlling molecular-scale interactions between adhesives and wood polymers are critical to accelerate the development of improved adhesives for advanced wood-based materials. The submicrometer resolution of synchrotron-based X-ray fluorescence microscopy (XFM) was found capable of mapping and quantifying infiltration of Br-labeled phenolformaldehyde (BrPF) into wood cell walls. Cell wall infiltration of five BrPF adhesives with different average molecular weights (MWs) was mapped. Nanoindentation on the same cell walls was performed to assess the effects of BrPF infiltration on cell wall hygromechanical properties. For the same amount of weight uptake, lower MW BrPF adhesives were found to be more effective at decreasing moisture-induced mechanical softening. This greater effectiveness of lower MW phenolic adhesives likely resulted from their ability to more intimately associate with water sorption sites in the wood polymers. Evidence also suggests that a BrPF interpenetrating polymer network (IPN) formed within the wood polymers, which might also decrease moisture sorption by mechanically restraining wood polymers during swelling. C1 [Jakes, Joseph E.; Hunt, Christopher G.; Yelle, Daniel J.; Lorenz, Linda; Frihart, Charles R.] US Forest Serv, Forest Biopolymers Sci & Engn, Forest Prod Lab, Madison, WI 53726 USA. [Hirth, Kolby] US Forest Serv, Analyt Chem & Microscopy, Forest Prod Lab, Madison, WI 53726 USA. [Gleber, Sophie-Charlotte; Vogt, Stefan] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. [Grigsby, Warren] Scion, Rotorua 3010, New Zealand. RP Jakes, JE (reprint author), US Forest Serv, Forest Biopolymers Sci & Engn, Forest Prod Lab, 1 Gifford Pinchot Dr, Madison, WI 53726 USA. EM jjakes@fs.fed.us 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 U.S. Department of Energy, Basic Energy Sciences, Office of Science [W-31-109-Eng-38]; FHA Cooperative Research Program for Covered Timber Bridges; USDA Foreset Service PECASE Award FX The use of Advanced Photon Source facilities was supported by the U.S. Department of Energy, Basic Energy Sciences, Office of Science, under contract number W-31-109-Eng-38. Partial funding was provided by the FHA Cooperative Research Program for Covered Timber Bridges. J.E.J. acknowledges funding from 2011 USDA Foreset Service PECASE Award. NR 38 TC 10 Z9 10 U1 4 U2 20 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1944-8244 J9 ACS APPL MATER INTER JI ACS Appl. Mater. Interfaces PD APR 1 PY 2015 VL 7 IS 12 BP 6584 EP 6589 DI 10.1021/am5087598 PG 6 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA CF0PM UT WOS:000352246700028 PM 25756624 ER PT J AU Kim, JK Senthilkumar, B Sahgong, SH Kim, JH Chi, MF Kim, Y AF Kim, Jae-Kwang Senthilkumar, B. Sahgong, Sun Hye Kim, Jung-Hyun Chi, Miaofang Kim, Youngsik TI New Chemical Route for the Synthesis of beta-Na0.33V2O5 and Its Fully Reversible Li Intercalation SO ACS APPLIED MATERIALS & INTERFACES LA English DT Article DE beta-Na0.33V2O5; chemical switch; vanadium sulfides; vanadium oxides; structural collapse; high capacity cathode ID LITHIUM-ION BATTERIES; HIGH-PERFORMANCE CATHODE; VANADIUM-OXIDE NANOWIRES; ELECTROCHEMICAL PERFORMANCE; STRUCTURAL MODIFICATIONS; BETA-LIXV2O5; ELECTROLYTE; NANOTUBES; INSERTION; CAPACITY AB To obtain good electrochemical performance and thermal stability of rechargeable batteries, various cathode materials have been explored including NaVS2, beta-Na0.33V2O5, and LixV2O5. In particular, LixV2O5 has attracted attention as a cathode material in Li-ion batteries owing to its large theoretical capacity, but its stable electrochemical cycling (i.e., reversibility) still remains as a challenge and strongly depends on its synthesis methods. In this study, we prepared the LixV2O5 from electrochemical ion exchange of beta-Na0.33V2O5, which is obtained by chemical conversion of NaVS2 in air at high temperatures. Crystal structure and particle morphology of beta-Na0.33V2O5 are characterized by using X-ray diffraction, scanning electron microscopy, and transmission electron microscopy techniques. Energy-dispersive X-ray spectroscopy and X-ray photoelectron spectroscopy, in combination with electrochemical data, suggest that Na ions are extracted from beta-Na0.33V2O5 without irreversible structural collapse and replaced with Li ions during the following intercalation (i.e., charging) process. The thus obtained LixV2O5 delivers a high discharge capacity of 295 mAh g(-1)), which corresponds to x = 2, with crystal structural stability in the voltage range of 1.5-4.0 V versus. Li, as evidenced by its good cycling performance and high Coulombic efficiency (under 0.1 mA cm(-2)) at room temperature. Furthermore, the ion-exchanged LixV2O5 from beta-Na0.33V2O5 shows stable electrochemical behavior without structural collapse, even at a case of deep discharge to 1.5 V versus Li. C1 [Kim, Jae-Kwang; Senthilkumar, B.; Sahgong, Sun Hye; Kim, Youngsik] Ulsan Natl Inst Sci & Technol, Sch Energy & Chem Engn, Ulsan 689798, South Korea. [Kim, Jung-Hyun] Gen Motors Global Res & Dev Ctr, Chem & Mat Syst Lab, Warren, MI 48090 USA. [Chi, Miaofang] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Kim, JH (reprint author), Gen Motors Global Res & Dev Ctr, Chem & Mat Syst Lab, Warren, MI 48090 USA. EM junghyun.kim@gm.com; ykim@unist.ac.kr RI Kim, Jung-Hyun/I-5273-2013; Chi, Miaofang/Q-2489-2015 OI Kim, Jung-Hyun/0000-0002-4598-4686; Chi, Miaofang/0000-0003-0764-1567 FU National Research Foundation of Korea [NRF-2014R1A2A1A11052110]; Oak Ridge National Laboratory's Shared Research Equipment (SHaRE) User Facility; Office of Basic Energy Sciences, United States Department of Energy FX The work performed at Ulsan National Institute of Science and Technology was financially supported by National Research Foundation of Korea (NRF-2014R1A2A1A11052110). Part of the Microscopy research is supported by Oak Ridge National Laboratory's Shared Research Equipment (SHaRE) User Facility that is sponsored by the Office of Basic Energy Sciences, United States Department of Energy. NR 35 TC 8 Z9 9 U1 9 U2 54 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1944-8244 J9 ACS APPL MATER INTER JI ACS Appl. Mater. Interfaces PD APR 1 PY 2015 VL 7 IS 12 BP 7025 EP 7032 DI 10.1021/acsami.5b01260 PG 8 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA CF0PM UT WOS:000352246700079 PM 25768692 ER PT J AU Ng, JD Baird, JK Coates, L Garcia-Ruiz, JM Hodge, TA Huang, SJ AF Ng, Joseph D. Baird, James K. Coates, Leighton Garcia-Ruiz, Juan M. Hodge, Teresa A. Huang, Sijay TI Large-volume protein crystal growth for neutron macromolecular crystallography SO ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY COMMUNICATIONS LA English DT Article DE large-volume crystals; neutron macromolecular crystallography ID ATOMIC-FORCE MICROSCOPY; TRANSFER-RNA SYNTHETASE; EGG-WHITE LYSOZYME; BIOLOGICAL MACROMOLECULES; X-RAY; PHASE-DIAGRAMS; RADIATION-DAMAGE; CRYSTALLIZATION; SOLUBILITY; OPTIMIZATION AB Neutron macromolecular crystallography (NMC) is the prevailing method for the accurate determination of the positions of H atoms in macromolecules. As neutron sources are becoming more available to general users, finding means to optimize the growth of protein crystals to sizes suitable for NMC is extremely important. Historically, much has been learned about growing crystals for X-ray diffraction. However, owing to new-generation synchrotron X-ray facilities and sensitive detectors, protein crystal sizes as small as in the nano-range have become adequate for structure determination, lessening the necessity to grow large crystals. Here, some of the approaches, techniques and considerations for the growth of crystals to significant dimensions that are now relevant to NMC are revisited. These include experimental strategies utilizing solubility diagrams, ripening effects, classical crystallization techniques, microgravity and theoretical considerations. C1 [Ng, Joseph D.] Univ Alabama, Dept Biol Sci, Huntsville, AL 35899 USA. [Ng, Joseph D.] iXpressGenes Inc, Hudson Alpha Inst Biotechnol, Huntsville, AL 35806 USA. [Baird, James K.; Hodge, Teresa A.; Huang, Sijay] Univ Alabama, Dept Chem, Huntsville, AL 35899 USA. [Coates, Leighton] Oak Ridge Natl Lab, Biol & Soft Matter Div, Oak Ridge, TN 37831 USA. [Garcia-Ruiz, Juan M.] Univ Granada, CSIC, Lab Estudios Cristalog IACT, Armilla, Granada, Spain. RP Ng, JD (reprint author), Univ Alabama, Dept Biol Sci, Huntsville, AL 35899 USA. EM ngj@uah.edu RI Garcia-Ruiz, Juan Manuel/C-4389-2015; OI Garcia-Ruiz, Juan Manuel/0000-0002-4743-8718; Coates, Leighton/0000-0003-2342-049X FU Center for the Advancement of Science in Space (CASIS) [GA-2013-100]; Junta de Andalucia [RNM5384] FX Information acquired here was from research supported by the Center for the Advancement of Science in Space (CASIS; GA-2013-100). The Office of Biological and Environmental Research supported research at the Oak Ridge National Laboratory Center for Structural Molecular Biology (CSMB), using facilities supported by the Scientific User Facilities Division, Office of Basic Energy Sciences, United States Department of Energy. JMGR acknowledges the 'Factoria de Cristalizacion' (Consolider Ingenio 2010, Spanish MINECO) and Excellence project RNM5384 of Junta de Andalucia. We thank Mr Jorge Barcena for his assistance in the preparation of this manuscript. NR 82 TC 5 Z9 5 U1 0 U2 14 PU INT UNION CRYSTALLOGRAPHY PI CHESTER PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND SN 2053-230X J9 ACTA CRYSTALLOGR F JI Acta Crystallogr. F-Struct. Biol. Commun. PD APR PY 2015 VL 71 BP 358 EP 370 DI 10.1107/S2053230X15005348 PN 4 PG 13 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA CF4GY UT WOS:000352508000001 PM 25849493 ER PT J AU Atrens, A Song, GL Liu, M Shi, ZM Cao, FY Dargusch, MS AF Atrens, Andrej Song, Guang-Ling Liu, Ming Shi, Zhiming Cao, Fuyong Dargusch, Matthew S. TI Review of Recent Developments in the Field of Magnesium Corrosion SO ADVANCED ENGINEERING MATERIALS LA English DT Review ID HIGH-PURITY MG; ETHYLENE-GLYCOL SOLUTION; VIBRATING ELECTRODE TECHNIQUE; ENHANCED CATALYTIC-ACTIVITY; ANODIC POLARIZATION CURVES; CHLORIDE-ION CONCENTRATION; CALCULATED PHASE-DIAGRAMS; INCREASING STRESS TEST; PURE MAGNESIUM; GALVANIC CORROSION AB This paper provides a review of recent developments in the field of Mg corrosion and puts those into context. This includes considerations of corrosion manifestations, material influences, surface treatment, anodization, coatings, inhibition, biodegradable medical applications, stress corrosion cracking, flammability, corrosion mechanisms for HP Mg, critical evaluation of corrosion mechanisms, and concluding remarks. There has been much research recently, and much research continues in this area. This is expected to produce significantly better, more-corrosion-resistant Mg alloys. C1 [Atrens, Andrej; Song, Guang-Ling; Shi, Zhiming; Cao, Fuyong] Univ Queensland, Sch Mech & Min Engn, Mat Engn, Brisbane, Qld 4072, Australia. [Atrens, Andrej; Shi, Zhiming; Cao, Fuyong; Dargusch, Matthew S.] Univ Queensland, Queensland Ctr Adv Mat Proc & Mfg AMPAM, Brisbane, Qld 4072, Australia. [Shi, Zhiming; Dargusch, Matthew S.] Univ Queensland, Def Mat Technol Ctr, Brisbane, Qld 4072, Australia. [Song, Guang-Ling] Oak Ridge Natl Lab, Corros Sci & Technol, Oak Ridge, TN 37831 USA. [Liu, Ming] GM China Sci Lab, Shanghai 201206, Peoples R China. RP Atrens, A (reprint author), Univ Queensland, Sch Mech & Min Engn, Mat Engn, Brisbane, Qld 4072, Australia. EM Andrejs.Atrens@uq.edu.au RI Song, Guang-Ling/D-9540-2013; Atrens, Andrejs/I-5850-2013; OI Song, Guang-Ling/0000-0002-9802-6836; Atrens, Andrejs/0000-0003-0671-4082; Dargusch, Matthew/0000-0003-4336-5811 FU Australian Research Council Centre of Excellence Design of Light Alloys [CE0561574]; Defence Materials Technology Centre; China Scholarship Council FX This research was supported by the Australian Research Council Centre of Excellence Design of Light Alloys, CE0561574, and the Defence Materials Technology Centre. Thanks to the China Scholarship Council to provide a scholarship under the State Scholarship Fund to Fuyong Cao. NR 192 TC 54 Z9 55 U1 34 U2 150 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1438-1656 EI 1527-2648 J9 ADV ENG MATER JI Adv. Eng. Mater. PD APR PY 2015 VL 17 IS 4 BP 400 EP 453 DI 10.1002/adem.201400434 PG 54 WC Materials Science, Multidisciplinary SC Materials Science GA CF5CY UT WOS:000352574200001 ER PT J AU Clarke, AJ Tourret, D Imhoff, SD Gibbs, PJ Fezzaa, K Cooley, JC Lee, WK Deriy, A Patterson, BM Papin, PA Clarke, KD Field, RD Smith, JL AF Clarke, Amy J. Tourret, Damien Imhoff, Seth D. Gibbs, Paul J. Fezzaa, Kamel Cooley, Jason C. Lee, Wah-Keat Deriy, Alex Patterson, Brian M. Papin, Pallas A. Clarke, Kester D. Field, Robert D. Smith, James L. TI X-ray Imaging and Controlled Solidification of Al-Cu Alloys Toward Microstructures by Design SO ADVANCED ENGINEERING MATERIALS LA English DT Article ID STRAY CRYSTAL-FORMATION; TO-EQUIAXED TRANSITION; IN-SITU OBSERVATION; DIRECTIONAL SOLIDIFICATION; DENDRITIC SOLIDIFICATION; METALLIC ALLOYS; UNIDIRECTIONAL SOLIDIFICATION; ALUMINUM-ALLOY; PHASE-FIELD; GROWTH C1 [Clarke, Amy J.; Tourret, Damien; Imhoff, Seth D.; Gibbs, Paul J.; Cooley, Jason C.; Patterson, Brian M.; Papin, Pallas A.; Clarke, Kester D.; Field, Robert D.; Smith, James L.] Los Alamos Natl Lab, Mat Sci & Technol Div, Los Alamos, NM 87545 USA. [Fezzaa, Kamel; Deriy, Alex] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Lee, Wah-Keat] Brookhaven Natl Lab, Photon Sci, Upton, NY 11973 USA. RP Clarke, AJ (reprint author), Los Alamos Natl Lab, Mat Sci & Technol Div, POB 1663, Los Alamos, NM 87545 USA. EM aclarke@lanl.gov RI Clarke, Kester/R-9976-2016; Tourret, Damien/B-2854-2017; OI Tourret, Damien/0000-0003-4574-7004; Patterson, Brian/0000-0001-9244-7376 FU U.S. DOE, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering; U.S. Department of Energy [DE-AC52-06NA25396]; U.S. DOE [DE-AC02-06CH11357] FX A.J.C., D.T., S.D.I., P.J.G., and this work were supported by A.J.C.'s Early Career award from the U.S. DOE, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering and Los Alamos National Laboratory, operated by Los Alamos National Security, LLC under Contract No. DE-AC52-06NA25396 for the U.S. Department of Energy. We thank T.V. Beard, R.W. Hudson, D.A. Aragon, and B.S. Folks (LANL) for machining support. Use of the Advanced Photon Source, an Office of Science User Facility operated for the U.S. DOE Office of Science by Argonne National Laboratory, was supported by the U.S. DOE under Contract No. DE-AC02-06CH11357. (Supporting Information is available online from Wiley Online Library or from the author). NR 61 TC 4 Z9 4 U1 4 U2 31 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1438-1656 EI 1527-2648 J9 ADV ENG MATER JI Adv. Eng. Mater. PD APR PY 2015 VL 17 IS 4 BP 454 EP 459 DI 10.1002/adem.201400469 PG 6 WC Materials Science, Multidisciplinary SC Materials Science GA CF5CY UT WOS:000352574200002 ER PT J AU Sharifzadeh, S Wong, CY Wu, H Cotts, BL Kronik, L Ginsberg, NS Neaton, JB AF Sharifzadeh, Sahar Wong, Cathy Y. Wu, Hao Cotts, Benjamin L. Kronik, Leeor Ginsberg, Naomi S. Neaton, Jeffrey B. TI Relating the Physical Structure and Optoelectronic Function of Crystalline TIPS-Pentacene SO ADVANCED FUNCTIONAL MATERIALS LA English DT Article DE electronic structures; organic semiconductors; density functional theory; excitons; optical spectroscopy; singlet fission ID SINGLET-EXCITON-FISSION; ORGANIC SEMICONDUCTORS; MOLECULAR-CRYSTALS; ELECTRONIC POLARIZATION; QUASI-PARTICLE; PACKING; MORPHOLOGY; ENERGIES; ACENES; MODEL AB Theory and experiment are combined to investigate the nature of low-energy excitons within ordered domains of 6,13-bis(triisopropylsilylethynyl)-pentacene (TIPS-PEN) polycrystalline thin films. First-principles density functional theory and many-body perturbation theory calculations, along with polarization-dependent optical absorption spectro-microscopy on ordered domains, show multiple low-energy absorption peaks that are composed of excitonic states delocalized over several molecules. While the first absorption peak is composed of a single excitonic transition and retains the polarization-dependent behavior of the molecule, higher energy peaks are composed of multiple transitions with optical properties that can not be described by those of the molecule. The predicted structure-dependence of polarization-dependent absorption reveals the exact inter-grain orientation within the TIPS-PEN film. Additionally, the degree of exciton delocalization can be significantly tuned by modest changes in the solid-state structure and the spatial extent of the excitations along a given direction is correlated with the degree of electronic dispersion along the same direction. These findings pave the way for tailoring the singlet fission efficiency of organic crystals by solid-state structure. C1 [Sharifzadeh, Sahar] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. [Sharifzadeh, Sahar] Boston Univ, Dept Elect & Comp Engn, Boston, MA 02215 USA. [Sharifzadeh, Sahar] Boston Univ, Mat Sci & Engn Div, Boston, MA 02215 USA. [Wong, Cathy Y.; Wu, Hao; Cotts, Benjamin L.; Ginsberg, Naomi S.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Kronik, Leeor] Weizmann Inst Sci, Dept Mat & Interfaces, IL-76100 Rehovot, Israel. [Ginsberg, Naomi S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Ginsberg, Naomi S.; Neaton, Jeffrey B.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Ginsberg, Naomi S.; Neaton, Jeffrey B.] Kavli Energy NanoSci Inst, Berkeley, CA 94720 USA. [Ginsberg, Naomi S.; Neaton, Jeffrey B.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Sharifzadeh, S (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. EM ssharifz@bu.edu; jbneaton@lbl.gov RI Neaton, Jeffrey/F-8578-2015; Foundry, Molecular/G-9968-2014; Sharifzadeh, Sahar/P-4881-2016 OI Neaton, Jeffrey/0000-0001-7585-6135; Sharifzadeh, Sahar/0000-0003-4215-4668 FU Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231]; Scientific Discovery through Advanced Computing (SciDAC) Partnership program - U.S. Department of Energy, Office of Science, Advanced Scientific Computing Research and Basic Energy Sciences; Defense Advanced Research Projects Agency Young Faculty Award [N66001-12-1-4228]; David and Lucile Packard Foundation Fellowship for Science and Engineering; Natural Sciences and Engineering Research Council, Canada; National Science Foundation [DGE 1106400]; Israel Science Foundation; Helmsley Foundation; Wolfson Foundation; Lise Meitner Minerva Center for Computational Chemistry; United States-Israel Binational Science Foundation (BSF); Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231, DE-AC02-06CH11357] FX The authors thank Pierre Darancet (Argonne National Laboratory) for valuable discussions. Work at the Molecular Foundry was supported by the Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract DE-AC02-05CH11231. Partial support for this work was also provided through Scientific Discovery through Advanced Computing (SciDAC) Partnership program funded by U.S. Department of Energy, Office of Science, Advanced Scientific Computing Research and Basic Energy Sciences. Experimental work was supported by the Defense Advanced Research Projects Agency Young Faculty Award number N66001-12-1-4228. N.S.G. thanks the David and Lucile Packard Foundation Fellowship for Science and Engineering. C.Y.W. thanks the Natural Sciences and Engineering Research Council, Canada, for a Postdoctoral Fellowship. B.L.C. acknowledges a National Science Foundation Graduate Research Fellowship (DGE 1106400). Work at the Weizmann Institute of Science was additionally supported by the Israel Science Foundation, the Helmsley Foundation, the Wolfson Foundation, and the Lise Meitner Minerva Center for Computational Chemistry. The authors also acknowledge funding from the United States-Israel Binational Science Foundation (BSF). The authors thank the National Energy Research Scientific Computing (NERSC)center, which is supported by the Office of Science of the U.S. Department of Energy under Contract DE-AC02-05CH11231, and the Argonne Leadership Computing Facility for computational resources, which is supported by the Office of Science of the U.S. Department of Energy under Contract DE-AC02-06CH11357. NR 56 TC 20 Z9 20 U1 18 U2 80 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1616-301X EI 1616-3028 J9 ADV FUNCT MATER JI Adv. Funct. Mater. PD APR 1 PY 2015 VL 25 IS 13 SI SI BP 2038 EP 2046 DI 10.1002/adfm.201403005 PG 9 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CF4YY UT WOS:000352561800011 ER PT J AU Ross, NL Zhao, J Slebodnick, C Spencer, EC Chakoumakos, BC AF Ross, Nancy L. Zhao, Jing Slebodnick, Carla Spencer, Elinor C. Chakoumakos, Bryan C. TI Petalite under pressure: Elastic behavior and phase stability SO AMERICAN MINERALOGIST LA English DT Article DE Petalite; high-pressure; single-crystal X-ray diffraction; equation of state; phase transition ID CRYSTALLOGRAPHY; DIFFRACTION AB The lithium aluminosilicate mineral petalite (LiAlSi4O10) has been studied with high-pressure single-crystal X-ray diffraction (HP-XRD) up to 5 GPa. Petalite undergoes two fully reversible pressure-induced first-order phase transitions, not previously reported in the literature, at ca. 1.5 and 2.5 GPa. The first of these transforms the low-pressure alpha-phase of petalite (P2/c) to an intermediate beta'-phase that then fully converts to the high-pressure beta-phase at ca. 2.5 GPa. The alpha -> beta transition is isomorphic and is associated with tripling of the unit-cell volume. Analysis of the HP-XRD data show that although the fundamental features of the petalite structure are retained through this transition, there are subtle alterations in the internal structure of the silicate double-layers in the beta-phase relative to the alpha-phase. Measurement of the unit-cell parameters of petalite as a function of pressure, and fitting of the data with third-order Birch-Murnaghan equation of state, has provided revised elastic constants for petalite. The bulk moduli of the alpha- and beta-phases are 49(1) and 35(3) GPa, respectively. These values indicate that the compressibility of the alpha-phase of petalite lies between those of the alkali feldpsars and alkali feldspathoids, whereas the beta-phase has a compressibility more comparable with layered silicates. Structure analysis has shown that the compression of the alpha-phase is facilitated by the rigid body movement of the Si2O7 units from which the silicate double-layers are constructed. C1 [Ross, Nancy L.; Zhao, Jing; Spencer, Elinor C.] Virginia Tech, Dept Geosci, Blacksburg, VA 24061 USA. [Slebodnick, Carla] Virginia Tech, Dept Chem, Blacksburg, VA 24061 USA. [Chakoumakos, Bryan C.] Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA. RP Ross, NL (reprint author), Virginia Tech, Dept Geosci, Blacksburg, VA 24061 USA. EM nross@vt.edu RI Chakoumakos, Bryan/A-5601-2016 OI Chakoumakos, Bryan/0000-0002-7870-6543 FU National Science Foundation [EAR-1118691]; College of Science at Virginia Tech; NSF [CHE-0131128]; Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy FX N.L.R., E.C.S, and J.Z. gratefully acknowledge support for this work from the National Science Foundation through grant EAR-1118691 and support from the College of Science at Virginia Tech. The XCalibur2 instrument employed in this study was purchased through the NSF grant CHE-0131128. Research conducted at Oak Ridge National Laboratory was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. NR 21 TC 0 Z9 0 U1 3 U2 20 PU MINERALOGICAL SOC AMER PI CHANTILLY PA 3635 CONCORDE PKWY STE 500, CHANTILLY, VA 20151-1125 USA SN 0003-004X EI 1945-3027 J9 AM MINERAL JI Am. Miner. PD APR PY 2015 VL 100 IS 4 BP 714 EP 721 DI 10.2138/am-2015-5105 PG 8 WC Geochemistry & Geophysics; Mineralogy SC Geochemistry & Geophysics; Mineralogy GA CE9PK UT WOS:000352175700007 ER PT J AU Richter, D Weibring, P Walega, JG Fried, A Spuler, SM Taubman, MS AF Richter, Dirk Weibring, Petter Walega, James G. Fried, Alan Spuler, Scott M. Taubman, Matthew S. TI Compact highly sensitive multi-species airborne mid-IR spectrometer SO APPLIED PHYSICS B-LASERS AND OPTICS LA English DT Article; Proceedings Paper CT 4th International Conferene on Field Laser Applications in Industry and Research CY MAY 05-09, 2014 CL Firenze, ITALY ID SPECTROSCOPY; PERFORMANCE; FORMALDEHYDE; SIGNAL; CO2 AB We report on the development and airborne field deployment of a mid-IR laser-based spectrometer. The instrument was configured for the simultaneous in situ detection of formaldehyde (CH2O) and ethane (C2H6). Numerous mechanical, optical, electronic, and software improvements over a previous instrument design resulted in reliable highly sensitive airborne operation with long stability times yielding 90 % airborne measurement coverage during the recent air quality study over the Colorado Front Range, FRAPPA parts per thousand 2014. Airborne detection sensitivities of similar to 15 pptv (C2H6) and similar to 40 pptv (CH2O) were generally obtained for 1 s of averaging for simultaneous detection. C1 [Richter, Dirk; Weibring, Petter; Walega, James G.; Fried, Alan] Univ Colorado, Inst Arctic & Alpine Res, Boulder, CO 80309 USA. [Spuler, Scott M.] Natl Ctr Atmospher Res, Earth Observing Lab, Boulder, CO 80307 USA. [Taubman, Matthew S.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Richter, D (reprint author), Univ Colorado, Inst Arctic & Alpine Res, UCB 450, Boulder, CO 80309 USA. EM Dirk.Richter@Colorado.edu NR 22 TC 10 Z9 10 U1 0 U2 11 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0946-2171 EI 1432-0649 J9 APPL PHYS B-LASERS O JI Appl. Phys. B-Lasers Opt. PD APR PY 2015 VL 119 IS 1 SI SI BP 119 EP 131 DI 10.1007/s00340-015-6038-8 PG 13 WC Optics; Physics, Applied SC Optics; Physics GA CF1GN UT WOS:000352292500014 ER PT J AU Angell, CT Pedretti, M Norman, EB AF Angell, C. T. Pedretti, M. Norman, E. B. TI Method for determining individual deposition velocities of radon progeny SO APPLIED RADIATION AND ISOTOPES LA English DT Article DE Radon; Radon progeny; Deposition; Jacobi room model ID SURFACE CONTAMINATION; CUORE; MODEL AB The deposition velocity of radon progeny is used to model the removal of progeny from the air by surfaces in assessing indoor air quality. It can also be used to assess radon-induced background in sensitive, low-background experiments. A single value of the deposition velocity is typically used for all radon progeny for modeling purposes. This paper presents a method for uniquely determining the individual deposition velocities of radon progeny. Measurements demonstrating the method were carried out. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Angell, C. T.] Japan Atom Energy Agcy, Tokai, Ibaraki 3191195, Japan. [Pedretti, M.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Norman, E. B.] Univ Calif Berkeley, Berkeley, CA 94720 USA. RP Angell, CT (reprint author), Japan Atom Energy Agcy, Tokai, Ibaraki 3191195, Japan. EM angell.christopher@jaea.go.jp NR 17 TC 0 Z9 0 U1 0 U2 3 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0969-8043 J9 APPL RADIAT ISOTOPES JI Appl. Radiat. Isot. PD APR PY 2015 VL 98 BP 34 EP 39 DI 10.1016/j.apradiso.2015.01.006 PG 6 WC Chemistry, Inorganic & Nuclear; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Chemistry; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA CF0OW UT WOS:000352245100006 PM 25618737 ER PT J AU Palomares, RI Dayman, KJ Landsberger, S Biegalski, SR Soderquist, CZ Casella, AJ Raap, MCB Schwantes, JM AF Palomares, R. I. Dayman, K. J. Landsberger, S. Biegalski, S. R. Soderquist, C. Z. Casella, A. J. Raap, M. C. Brady Schwantes, J. M. TI Measuring the noble metal and iodine composition of extracted noble metal phase from spent nuclear fuel using instrumental neutron activation analysis SO APPLIED RADIATION AND ISOTOPES LA English DT Article DE Noble metal and iodine composition; Spent nuclear fuel; Neutron activation analysis ID I-129 AB Mass's of noble metal and iodine nuclides in the metallic noble metal phase extracted from spent fuel are measured using instrumental neutron activation analysis. Nuclide presence is predicted using fission yield analysis, and radionuclides are identified and the masses quantified using neutron activation analysis. The nuclide compositions of noble metal phase derived from two dissolution methods, UO2 fuel dissolved in nitric acid and UO2 fuel dissolved in ammonium-carbonate and hydrogen-peroxide solution, are compared. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Palomares, R. I.; Dayman, K. J.; Landsberger, S.; Biegalski, S. R.] Univ Texas Austin, Nucl Engn Teaching Lab, Austin, TX 78712 USA. [Soderquist, C. Z.; Casella, A. J.; Raap, M. C. Brady; Schwantes, J. M.] Pacific NW Natl Lab, Richland, WA 99354 USA. RP Landsberger, S (reprint author), Univ Texas Austin, Nucl Engn Teaching Lab, Austin, TX 78712 USA. EM s.landsberger@mail.utexas.edu OI Palomares, Raul/0000-0003-3165-2602 NR 18 TC 2 Z9 2 U1 1 U2 6 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0969-8043 J9 APPL RADIAT ISOTOPES JI Appl. Radiat. Isot. PD APR PY 2015 VL 98 BP 66 EP 70 DI 10.1016/j.apradiso.2015.01.022 PG 5 WC Chemistry, Inorganic & Nuclear; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Chemistry; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA CF0OW UT WOS:000352245100012 PM 25644079 ER PT J AU Fairley, D Fischer, ML AF Fairley, David Fischer, Marc L. TI Top-down methane emissions estimates for the San Francisco Bay Area from 1990 to 2012 SO ATMOSPHERIC ENVIRONMENT LA English DT Article DE Methane emissions; Emissions inventory; Greenhouse gas; Inventory verification; Top-down estimates ID CALIFORNIA AB Methane is a potent greenhouse gas (GHG) that is now included in both California State and San Francisco Bay Area (SFBA) bottom-up emission inventories as part of California's effort to reduce anthropogenic GHG emissions. Here we provide a top-down estimate of methane (CH4) emissions from the SFBA by combining atmospheric measurements with the comparatively better estimated emission inventory for carbon monoxide (CO). Local enhancements of CH4 and CO are estimated using measurements from 14 air quality sites in the SFBA combined together with global background measurements. Mean annual CH4 emissions are estimated from the product of Bay Area Air Quality Management District (BAAQMD) emission inventory CO and the slope of ambient local CH4 to CO. The resulting top-down estimates of CH4 emissions are found to decrease slightly from 1990 to 2012, with a mean value of 240 +/- 60 GgCH(4) yr(-1) (at 95% confidence) in the most recent (2009-2012) period, and correspond to reasonably a constant factor of 1.5-2.0 (at 95% confidence) times larger than the BAAQMD CH4 emission inventory. However, we note that uncertainty in these emission estimates is dominated by the variation in CH4:CO enhancement ratios across the observing sites and we expect the estimates could represent a lower-limit on CH4 emissions because BAAQMD monitoring sites focus on urban air quality and may be biased toward CO rather than CH4 sources. (C) 2015 The Authors. Published by Elsevier Ltd. C1 [Fairley, David] Bay Area Air Qual Management Dist, Planning Rules & Res Div, San Francisco, CA 94109 USA. [Fischer, Marc L.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Energy & Environm Technol Div, Berkeley, CA 94720 USA. RP Fairley, D (reprint author), Bay Area Air Qual Management Dist, Planning Rules & Res Div, 939 Ellis St, San Francisco, CA 94109 USA. EM fairley@baaqmd.gov OI Fairley, David/0000-0002-1337-1463 FU California Energy Commission's Natural Gas Research Program [DE-AC02-05CH11231] FX We thank Eric Stevenson and the monitoring section at the BAAQMD, who maintained the high quality CO and CH4 measurements across the SFBA monitoring sites, Phil Martien and his staff who provided inventory estimates of CO and CH4 emissions, David Holstius for graphics help, and Saffet Tanrikulu for useful comments that improved the manuscript. We also gratefully acknowledge Arlyn Andrews, and Edward Dlugokencky and the Carbon Cycle Group at NOAA for flask sampling at Mount Sutro and the larger NOAA network sampling and analysis of CH4 and CO. MLF was supported by a grant from the California Energy Commission's Natural Gas Research Program to the Lawrence Berkeley National Laboratory under contract DE-AC02-05CH11231. NR 15 TC 5 Z9 5 U1 0 U2 14 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1352-2310 EI 1873-2844 J9 ATMOS ENVIRON JI Atmos. Environ. PD APR PY 2015 VL 107 BP 9 EP 15 DI 10.1016/j.atmosenv.2015.01.065 PG 7 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA CE6UY UT WOS:000351974900002 ER PT J AU Winijkul, E Yan, F Lu, Z Streets, DG Bond, TC Zhao, Y AF Winijkul, E. Yan, F. Lu, Z. Streets, D. G. Bond, T. C. Zhao, Y. TI Size-resolved global emission inventory of primary particulate matter from energy-related combustion sources SO ATMOSPHERIC ENVIRONMENT LA English DT Article DE Mass size distribution; PM emissions; Combustion sources; Global size-resolved emission inventory ID CLOUD CONDENSATION NUCLEI; PRIMARY CARBONACEOUS AEROSOL; ATMOSPHERIC POLLUTANTS; DROPLET ACTIVATION; EXHAUST EMISSIONS; CHINA; PROJECTIONS; UNCERTAINTIES; PARTICLES; HEALTH AB Current emission inventories provide information about the mass emissions of different chemical species from different emitting sources without information concerning the size distribution of primary particulate matter (PM). The size distribution information, however, is an important input into chemical transport models that determine the fate of PM and its impacts on climate and public health. At present, models usually make rather rudimentary assumptions about the size distribution of primary PM emissions in their model inputs. In this study, we develop a global and regional, size-resolved, mass emission inventory of primary PM emissions from source-specific combustion components of the residential, industrial, power, and transportation sectors for the year 2010. Uncertainties in the emission profiles are also provided. The global size-resolved PM emissions show a distribution with a single peak and the majority of the mass of particles in size ranges smaller than 1 mu m. The PM size distributions for different sectors and world regions vary considerably, due to the different combustion characteristics. Typically, the sizes of particles decrease in the order: power sector > industrial sector > residential sector > transportation sector. Three emission scenarios are applied to the baseline distributions to study the likely changes in size distribution of emissions as clean technologies are implemented. (C) 2015 Published by Elsevier Ltd. C1 [Winijkul, E.; Yan, F.; Lu, Z.; Streets, D. G.] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA. [Bond, T. C.] Univ Illinois, Dept Civil & Environm Engn, Urbana, IL 61801 USA. [Zhao, Y.] Nanjing Univ, Sch Environm, Nanjing 210046, Jiangsu, Peoples R China. RP Yan, F (reprint author), Argonne Natl Lab, Div Energy Syst, 9700 S Cass Ave, Argonne, IL 60439 USA. EM fangyan@anl.gov FU U.S. Environmental Protection Agency [RD-83503401]; U.S. Department of Energy [DE-AC02-06CH11357] FX This work was supported by the U.S. Environmental Protection Agency under grant RD-83503401. This paper has not been subject to EPA's required peer and policy review, and therefore does not necessarily reflect the views of the Agency. No official endorsement should be inferred. Argonne National Laboratory is operated by UChicago Argonne, LLC, under Contract No. DE-AC02-06CH11357 with the U.S. Department of Energy. NR 36 TC 2 Z9 2 U1 4 U2 28 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1352-2310 EI 1873-2844 J9 ATMOS ENVIRON JI Atmos. Environ. PD APR PY 2015 VL 107 BP 137 EP 147 DI 10.1016/j.atmosenv.2015.02.037 PG 11 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA CE6UY UT WOS:000351974900015 ER PT J AU Pyle, ML Myers, SC Walter, WR Smith, KD AF Pyle, Moira L. Myers, Stephen C. Walter, William R. Smith, Kenneth D. TI Accurate Local Event Locations in Rock Valley, Nevada, Using a Bayesian Multiple-Event Method SO BULLETIN OF THE SEISMOLOGICAL SOCIETY OF AMERICA LA English DT Article AB The Source Physics Experiment (SPE) is a series of chemical explosions at the Nevada National Security Site (NNSS, formerly the Nevada Test Site) designed to improve our understanding of explosion physics. A future SPE will place an explosion at the hypocenter of a small, shallow earthquake, providing a direct earthquake-to-explosion experiment. Candidate earthquakes for this novel experiment come from a sequence of over 200 unusually shallow events that occurred in Rock Valley, Nevada, in the southeastern portion of the NNSS during 1993. We apply the Bayesloc multiple-event location algorithm (Myers et al., 2007, 2009) to determine the best possible locations and depths for these events. Past nuclear tests in the nearby Yucca Flat on the NNSS are relocated with the same method to provide insight into the accuracy and uncertainties associated with the Bayesloc location results for the Rock Valley earthquakes. This test suggests that we can accurately pinpoint the location of the Rock Valley events within approximately 1 km of their true locations using direct arrival times only. The incorporation of differential arrival times and a potential ground-truth event can significantly decrease the already small uncertainties associated with the epicenter locations. Depth determinations have uncertainties of a few kilometers. Depth uncertainty may be reduced by developing an accurate 3D model of P-wave and S-wave velocity for Rock Valley. C1 [Pyle, Moira L.; Myers, Stephen C.; Walter, William R.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Smith, Kenneth D.] Univ Nevada, Nevada Seismol Lab, Reno, NV 89557 USA. RP Pyle, ML (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. EM pyle4@llnl.gov; myers30@llnl.gov; walter5@llnl.gov; ken@seismo.unr.edu RI Pyle, Moira/L-3642-2016; Walter, William/C-2351-2013; Myers, Stephen/K-1368-2014 OI Pyle, Moira/0000-0003-1081-0966; Walter, William/0000-0002-0331-0616; Myers, Stephen/0000-0002-0315-5599 FU Lawrence Livermore National Laboratory [DE-AC52-06NA25946]; Source Physics Experiments (SPE) FX We would like to thank Terri Hauk and Gabe Plank for their assistance with the datasets. Eric Bergman provided a thoughtful review and suggestions. The Source Physics Experiments (SPE) would not have been possible without the support of many people from several organizations. The authors wish to express their gratitude to the National Nuclear Security Administration, Defense Nuclear Nonproliferation Research and Development (DNN R&D), and the SPE working group, a multi-institutional and interdisciplinary group of scientists and engineers. This work was done by Lawrence Livermore National Laboratory under Award Number DE-AC52-06NA25946. NR 16 TC 1 Z9 1 U1 1 U2 4 PU SEISMOLOGICAL SOC AMER PI ALBANY PA 400 EVELYN AVE, SUITE 201, ALBANY, CA 94706-1375 USA SN 0037-1106 EI 1943-3573 J9 B SEISMOL SOC AM JI Bull. Seismol. Soc. Amer. PD APR PY 2015 VL 105 IS 2A BP 706 EP 718 DI 10.1785/0120140251 PG 13 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA CE7AO UT WOS:000351989600015 ER PT J AU Done, JM Holland, GJ Bruyere, CL Leung, LR Suzuki-Parker, A AF Done, James M. Holland, Greg J. Bruyere, Cindy L. Leung, L. Ruby Suzuki-Parker, Asuka TI Modeling high-impact weather and climate: lessons from a tropical cyclone perspective SO CLIMATIC CHANGE LA English DT Article; Proceedings Paper CT 1st International Symposium on Regional Earth System Modeling and Analysis CY MAY 18-22, 2011 CL Beijing, PEOPLES R CHINA SP Key Lab Reg Climate Environm E Asia, Chinese Acad Sci, Jackson Sch Geosciences, Univ Texas Austin, Inst Climate & Global Change Res, Nanjing Univ, Monsoon Asia Integrated Reg Study, Natl Nat Sci Fdn China ID GENESIS POTENTIAL INDEX; HURRICANE FREQUENCY; CHANGING CLIMATE; NORTH-ATLANTIC; SIMULATIONS; VARIABILITY; TEMPERATURE; SENSITIVITY; RESOLUTION; INTENSITY AB Although the societal impact of a weather event increases with the rarity of the event, our current ability to assess extreme events and their impacts is limited by not only rarity but also by current model fidelity and a lack of understanding and capacity to model the underlying physical processes. This challenge is driving fresh approaches to assess high-impact weather and climate. Recent lessons learned in modeling high-impact weather and climate are presented using the case of tropical cyclones as an illustrative example. Through examples using the Nested Regional Climate Model to dynamically downscale large-scale climate data the need to treat bias in the driving data is illustrated. Domain size, location, and resolution are also shown to be critical and should be adequate to: include relevant regional climate physical processes; resolve key impact parameters; and accurately simulate the response to changes in external forcing. The notion of sufficient model resolution is introduced together with the added value in combining dynamical and statistical assessments to fill out the parent distribution of high-impact parameters. C1 [Done, James M.; Holland, Greg J.; Bruyere, Cindy L.] NCAR Earth Syst Lab, Boulder, CO 80307 USA. [Bruyere, Cindy L.] North West Univ, Environm Sci & Management, Potchefstroom, South Africa. [Leung, L. Ruby] Pacific NW Natl Lab, Richland, WA 99352 USA. [Suzuki-Parker, Asuka] Univ Tsukuba, Tsukuba, Ibaraki 3058577, Japan. RP Done, JM (reprint author), NCAR Earth Syst Lab, POB 3000, Boulder, CO 80307 USA. EM done@ucar.edu FU National Science Foundation; Willis Research Network; Research Partnership to Secure Energy for America; Climatology and Simulation of Eddies/Eddies Joint Industry Project; Department of Energy Regional and Global Climate Modeling and Integrated Assessment Research programs; DOE by Battelle Memorial Institute [DE-AC05-76RLO1830]; Office of Science of the U.S. Department of Energy [DE-AC02-06CH11357] FX NCAR is funded by the National Science Foundation and this work was partially supported by the Willis Research Network, the Research Partnership to Secure Energy for America, and the Climatology and Simulation of Eddies/Eddies Joint Industry Project. LRL was supported by the Department of Energy Regional and Global Climate Modeling and Integrated Assessment Research programs. The Pacific Northwest National Laboratory is operated for DOE by Battelle Memorial Institute under contract DE-AC05-76RLO1830. This research used resources 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 DE-AC02-06CH11357. The ideas and concepts benefitted from discussions with: Julie Caron, Bill Collins, Cort Cooper, Rowan Douglas, Sherrie Fredrick, Jim Hack, Jim Hurrell, Rick Katz, Bill Kuo, Bill Large, John Michalakes, Adam Phillips, Erin Towler, Joe Tribbia, Mariana Vertenstein and Jon Wolfe. NR 54 TC 23 Z9 23 U1 6 U2 25 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0165-0009 EI 1573-1480 J9 CLIMATIC CHANGE JI Clim. Change PD APR PY 2015 VL 129 IS 3-4 BP 381 EP 395 DI 10.1007/s10584-013-0954-6 PG 15 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA CF0AQ UT WOS:000352205300003 ER PT J AU Tian, HQ Chen, GS Lu, CQ Xu, XF Hayes, DJ Ren, W Pan, SF Huntzinger, DN Wofsy, SC AF Tian, Hanqin Chen, Guangsheng Lu, Chaoqun Xu, Xiaofeng Hayes, Daniel J. Ren, Wei Pan, Shufen Huntzinger, Deborah N. Wofsy, Steven C. TI North American terrestrial CO2 uptake largely offset by CH4 and N2O emissions: toward a full accounting of the greenhouse gas budget SO CLIMATIC CHANGE LA English DT Article; Proceedings Paper CT 1st International Symposium on Regional Earth System Modeling and Analysis CY MAY 18-22, 2011 CL Beijing, PEOPLES R CHINA SP Key Lab Reg Climate Environm E Asia, Chinese Acad Sci, Jackson Sch Geosciences, Univ Texas Austin, Inst Climate & Global Change Res, Nanjing Univ, Monsoon Asia Integrated Reg Study, Natl Nat Sci Fdn China ID SOUTHERN UNITED-STATES; MULTIFACTOR ENVIRONMENTAL-CHANGES; CARBON-DIOXIDE ENRICHMENT; NITROUS-OXIDE EMISSIONS; METHANE EMISSIONS; BIOGEOCHEMISTRY MODEL; TEMPORAL PATTERNS; ELEVATED CO2; FLUXES; BALANCE AB The terrestrial ecosystems of North America have been identified as a sink of atmospheric CO2 though there is no consensus on the magnitude. However, the emissions of non-CO2 greenhouse gases (CH4 and N2O) may offset or even overturn the climate cooling effect induced by the CO2 sink. Using a coupled biogeochemical model, in this study, we have estimated the combined global warming potentials (GWP) of CO2, CH4 and N2O fluxes in North American terrestrial ecosystems and quantified the relative contributions of environmental factors to the GWP changes during 1979-2010. The uncertainty range for contemporary global warming potential has been quantified by synthesizing the existing estimates from inventory, forward modeling, and inverse modeling approaches. Our "best estimate" of net GWP for CO2, CH4 and N2O fluxes was -0.50 +/- 0.27 Pg CO2 eq/year (1 Pg = 10(15) g) in North American terrestrial ecosystems during 2001-2010. The emissions of CH4 and N2O from terrestrial ecosystems had offset about two thirds (73 %+/- 14 %) of the land CO2 sink in the North American continent, showing large differences across the three countries, with offset ratios of 57 % +/- 8 % in US, 83 % +/- 17 % in Canada and 329 % +/- 119 % in Mexico. Climate change and elevated tropospheric ozone concentration have contributed the most to GWP increase, while elevated atmospheric CO2 concentration have contributed the most to GWP reduction. Extreme drought events over certain periods could result in a positive GWP. By integrating the existing estimates, we have found a wide range of uncertainty for the combined GWP. From both climate change science and policy perspectives, it is necessary to integrate ground and satellite observations with models for a more accurate accounting of these three greenhouse gases in North America. C1 [Tian, Hanqin; Chen, Guangsheng; Lu, Chaoqun; Ren, Wei; Pan, Shufen] Auburn Univ, Int Ctr Climate & Global Change Res, Auburn, AL 36849 USA. [Tian, Hanqin; Chen, Guangsheng; Lu, Chaoqun; Ren, Wei; Pan, Shufen] Auburn Univ, Sch Forestry & Wildlife Sci, Auburn, AL 36849 USA. [Xu, Xiaofeng; Hayes, Daniel J.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Huntzinger, Deborah N.] North Arizona Univ, Sch Earth Sci & Environm Sustainabil, Flagstaff, AZ 86011 USA. [Wofsy, Steven C.] Harvard Univ, Dept Earth & Planetary Sci, Cambridge, MA 02138 USA. RP Tian, HQ (reprint author), Auburn Univ, Int Ctr Climate & Global Change Res, Auburn, AL 36849 USA. EM tianhan@auburn.edu RI Tian, Hanqin/A-6484-2012; Xu, Xiaofeng/B-2391-2008; Ren, Wei/G-8317-2016; Ren, Wei/I-4048-2014 OI Tian, Hanqin/0000-0002-1806-4091; Xu, Xiaofeng/0000-0002-6553-6514; Ren, Wei/0000-0002-4840-4835 FU NASA Interdisciplinary Science Program [NNX10AU06G, NNX11AD47G]; US Department of Energy NICCR Program [DUKE-UN-07-SC-NICCR-1014]; NASA Atmospheric Chemistry Modeling and Analysis Program; NASA Terrestrial Ecology Program FX This study has been supported by NASA Interdisciplinary Science Program (NNX10AU06G, NNX11AD47G), US Department of Energy NICCR Program (DUKE-UN-07-SC-NICCR-1014), NASA Atmospheric Chemistry Modeling and Analysis Program, NASA Terrestrial Ecology Program. We thank four anonymous reviewers for their precious comments and suggestions on the manuscript. NR 56 TC 16 Z9 16 U1 5 U2 66 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0165-0009 EI 1573-1480 J9 CLIMATIC CHANGE JI Clim. Change PD APR PY 2015 VL 129 IS 3-4 BP 413 EP 426 DI 10.1007/s10584-014-1072-9 PG 14 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA CF0AQ UT WOS:000352205300005 ER PT J AU Wang, SY Fu, CB Wei, HL Qian, Y Xiong, Z Feng, JM Zhao, DM Dan, L Han, ZW Su, BK Zhao, M Zhang, YC Tang, JP Liu, HN Wu, J Zeng, XM Chen, M Wang, LZ AF Wang, Shuyu Fu, Congbin Wei, Helin Qian, Yun Xiong, Zhe Feng, Jinming Zhao, Deming Dan, Li Han, Zhiwei Su, Bingkai Zhao, Ming Zhang, Yaocun Tang, Jianping Liu, Hongnian Wu, Jian Zeng, Xinmin Chen, Min Wang, Lizhi TI Regional integrated environmental modeling system: development and application SO CLIMATIC CHANGE LA English DT Article; Proceedings Paper CT 1st International Symposium on Regional Earth System Modeling and Analysis CY MAY 18-22, 2011 CL Beijing, PEOPLES R CHINA SP Key Lab Reg Climate Environm E Asia, Chinese Acad Sci, Jackson Sch Geosciences, Univ Texas Austin, Inst Climate & Global Change Res, Nanjing Univ, Monsoon Asia Integrated Reg Study, Natl Nat Sci Fdn China ID HUDSON-RARITAN ESTUARY; SEA COUPLED MODEL; CLIMATE MODEL; EAST-ASIA; 3-DIMENSIONAL SIMULATION; PRECIPITATION; CHINA; RIEMS; AEROSOLS; SUMMER AB The demand for high-confidence regional climate change scenarios is increasing. It is therefore vitally important to better understand the behavior of Earth's climate system on regional scale and advance the knowledge of regional responses to global climate. With their ability to represent meso-scale forcings, such as coastline, complex topography, anthropogenic aerosols and land cover/use changes, Regional Climate Models (RCMs) are developed and used worldwide to investigate the effects of the above-mentioned meso-scale forcings on the local circulations that regulate the regional distribution of climatic variables. Considering the complexity of Asian Monsoon system, which is not only a physical process but also modulated by the interaction among physical, biological, chemical and social processes, a modeling framework Regional Integrated Environmental Modeling System (RIEMS) was proposed, developed and well tested before it was widely used in regional climate studies in the East Asia monsoon region. C1 [Wang, Shuyu; Fu, Congbin; Su, Bingkai; Zhao, Ming; Zhang, Yaocun; Tang, Jianping; Liu, Hongnian; Zeng, Xinmin] Nanjing Univ, Sch Atmospher Sci, Nanjing 210093, Jiangsu, Peoples R China. [Wang, Shuyu; Fu, Congbin; Xiong, Zhe; Feng, Jinming; Zhao, Deming; Dan, Li; Han, Zhiwei; Wang, Lizhi] Chinese Acad Sci, Inst Atmospher Phys, Key Lab Reg Climate Environm East Asia, Beijing 100029, Peoples R China. [Wei, Helin] NCEP Environm Modeling Ctr NOAA NWS, Camp Springs, MD 20746 USA. [Qian, Yun] Pacific NW Natl Lab, Richland, WA 99352 USA. [Wu, Jian] Yunnan Univ, Coll Resources Environm & Earth Sci, Kunming 650091, Yunnan, Peoples R China. [Chen, Min] Natl Ctr Atmospher Res, Mesoscale Predict Sect, Boulder, CO 80307 USA. RP Fu, CB (reprint author), Nanjing Univ, Sch Atmospher Sci, 22 Hankou Rd, Nanjing 210093, Jiangsu, Peoples R China. EM wsy@nju.edu.cn; fcb@nju.edu.cn RI qian, yun/E-1845-2011; Zeng, Xin-Min/E-7060-2014 OI Zeng, Xin-Min/0000-0002-7146-0819 NR 58 TC 4 Z9 4 U1 4 U2 19 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0165-0009 EI 1573-1480 J9 CLIMATIC CHANGE JI Clim. Change PD APR PY 2015 VL 129 IS 3-4 BP 499 EP 510 DI 10.1007/s10584-013-0973-3 PG 12 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA CF0AQ UT WOS:000352205300011 ER PT J AU Adam, JC Stephens, JC Chung, SH Brady, MP Evans, RD Kruger, CE Lamb, BK Liu, ML Stockle, CO Vaughan, JK Rajagopalan, K Harrison, JA Tague, CL Kalyanaraman, A Chen, Y Guenther, A Leung, FY Leung, LR Perleberg, AB Yoder, J Allen, E Anderson, S Chandrasekharan, B Malek, K Mullis, T Miller, C Nergui, T Poinsatte, J Reyes, J Zhu, J Choate, JS Jiang, XY Nelson, R Yoon, JH Yorgey, GG Johnson, K Chinnayakanahalli, KJ Hamlet, AF Nijssen, B Walden, V AF Adam, Jennifer C. Stephens, Jennie C. Chung, Serena H. Brady, Michael P. Evans, R. David Kruger, Chad E. Lamb, Brian K. Liu, Mingliang Stoeckle, Claudio O. Vaughan, Joseph K. Rajagopalan, Kirti Harrison, John A. Tague, Christina L. Kalyanaraman, Ananth Chen, Yong Guenther, Alex Leung, Fok-Yan Leung, L. Ruby Perleberg, Andrew B. Yoder, Jonathan Allen, Elizabeth Anderson, Sarah Chandrasekharan, Bhagyam Malek, Keyvan Mullis, Tristan Miller, Cody Nergui, Tsengel Poinsatte, Justin Reyes, Julian Zhu, Jun Choate, Janet S. Jiang, Xiaoyan Nelson, Roger Yoon, Jin-Ho Yorgey, Georgine G. Johnson, Kristen Chinnayakanahalli, Kiran J. Hamlet, Alan F. Nijssen, Bart Walden, Von TI BioEarth: Envisioning and developing a new regional earth system model to inform natural and agricultural resource management SO CLIMATIC CHANGE LA English DT Article; Proceedings Paper CT 1st International Symposium on Regional Earth System Modeling and Analysis CY MAY 18-22, 2011 CL Beijing, PEOPLES R CHINA SP Key Lab Reg Climate Environm E Asia, Chinese Acad Sci, Jackson Sch Geosciences, Univ Texas Austin, Inst Climate & Global Change Res, Nanjing Univ, Monsoon Asia Integrated Reg Study, Natl Nat Sci Fdn China ID PACIFIC-NORTHWEST; ECONOMIC-MODELS; CLIMATE MODEL; FUTURE; WATER; CHALLENGES; HYDROLOGY; DYNAMICS; EXCHANGE; AMERICA AB As managers of agricultural and natural resources are confronted with uncertainties in global change impacts, the complexities associated with the interconnected cycling of nitrogen, carbon, and water present daunting management challenges. Existing models provide detailed information on specific sub-systems (e.g., land, air, water, and economics). An increasing awareness of the unintended consequences of management decisions resulting from interconnectedness of these sub-systems, however, necessitates coupled regional earth system models (EaSMs). Decision makers' needs and priorities can be integrated into the model design and development processes to enhance decision-making relevance and "usability" of EaSMs. BioEarth is a research initiative currently under development with a focus on the U.S. Pacific Northwest region that explores the coupling of multiple stand-alone EaSMs to generate usable information for resource decision-making. Direct engagement between model developers and non-academic stakeholders involved in resource and environmental management decisions throughout the model development process is a critical component of this effort. BioEarth utilizes a bottom-up approach for its land surface model that preserves fine spatial-scale sensitivities and lateral hydrologic connectivity, which makes it unique among many regional EaSMs. This paper describes the BioEarth initiative and highlights opportunities and challenges associated with coupling multiple stand-alone models to generate usable information for agricultural and natural resource decision-making. C1 [Adam, Jennifer C.; Chung, Serena H.; Brady, Michael P.; Evans, R. David; Lamb, Brian K.; Liu, Mingliang; Stoeckle, Claudio O.; Vaughan, Joseph K.; Rajagopalan, Kirti; Kalyanaraman, Ananth; Guenther, Alex; Leung, Fok-Yan; Yoder, Jonathan; Allen, Elizabeth; Anderson, Sarah; Chandrasekharan, Bhagyam; Malek, Keyvan; Mullis, Tristan; Nergui, Tsengel; Poinsatte, Justin; Reyes, Julian; Nelson, Roger; Johnson, Kristen; Walden, Von] Washington State Univ, Pullman, WA 99164 USA. [Stephens, Jennie C.] Clark Univ, Worcester, MA 01610 USA. [Kruger, Chad E.; Perleberg, Andrew B.] Washington State Univ, Wenatchee, WA USA. [Harrison, John A.; Miller, Cody] Washington State Univ, Vancouver, WA USA. [Tague, Christina L.; Zhu, Jun; Choate, Janet S.] Univ Calif Santa Barbara, Santa Barbara, CA 93106 USA. [Chen, Yong] Oregon State Univ, Corvallis, OR 97331 USA. [Guenther, Alex; Leung, L. Ruby; Yoon, Jin-Ho] Pacific NW Natl Lab, Richland, WA 99352 USA. [Jiang, Xiaoyan] Natl Ctr Atmospher Res, Boulder, CO 80307 USA. [Yorgey, Georgine G.] Washington State Univ, Seattle, WA USA. [Chinnayakanahalli, Kiran J.] AIRWorldwide, Boston, MA USA. [Hamlet, Alan F.] Notre Dame Univ, Notre Dame, IN USA. [Nijssen, Bart] Univ Washington, Seattle, WA 98195 USA. RP Adam, JC (reprint author), Washington State Univ, Pullman, WA 99164 USA. EM jcadam@wsu.edu RI Liu, Mingliang/B-1361-2009; YOON, JIN-HO/A-1672-2009; Nijssen, Bart/B-1013-2012 OI YOON, JIN-HO/0000-0002-4939-8078; Nijssen, Bart/0000-0002-4062-0322 FU Department of Agriculture, National Institute of Food and Agriculture [2011-67003-30346]; Regional Arctic Systems Model (RASM) through Department of Energy [DE-SC0006856] FX This research is funded from the Department of Agriculture, National Institute of Food and Agriculture grant number 2011-67003-30346. Funding for Dr. Nijssen's contribution to this project is from the Regional Arctic Systems Model (RASM) through Department of Energy grant number DE-SC0006856. The authors would like to thank our peer reviewers and our stakeholders who have contributed invaluable insights to the BioEarth Project. Finally, we thank three anonymous reviewers whose comments helped to improve this manuscript. NR 44 TC 8 Z9 8 U1 3 U2 35 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0165-0009 EI 1573-1480 J9 CLIMATIC CHANGE JI Clim. Change PD APR PY 2015 VL 129 IS 3-4 BP 555 EP 571 DI 10.1007/s10584-014-1115-2 PG 17 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA CF0AQ UT WOS:000352205300015 ER PT J AU Kraucunas, I Clarke, L Dirks, J Hathaway, J Hejazi, M Hibbard, K Huang, MY Jin, CL Kintner-Meyer, M van Dam, KK Leung, R Li, HY Moss, R Peterson, M Rice, J Scott, M Thomson, A Voisin, N West, T AF Kraucunas, Ian Clarke, Leon Dirks, James Hathaway, John Hejazi, Mohamad Hibbard, Kathy Huang, Maoyi Jin, Chunlian Kintner-Meyer, Michael van Dam, Kerstin Kleese Leung, Ruby Li, Hong-Yi Moss, Richard Peterson, Marty Rice, Jennie Scott, Michael Thomson, Allison Voisin, Nathalie West, Tristram TI Investigating the nexus of climate, energy, water, and land at decision-relevant scales: the Platform for Regional Integrated Modeling and Analysis (PRIMA) SO CLIMATIC CHANGE LA English DT Article; Proceedings Paper CT 1st International Symposium on Regional Earth System Modeling and Analysis CY MAY 18-22, 2011 CL Beijing, PEOPLES R CHINA SP Key Lab Reg Climate Environm E Asia, Chinese Acad Sci, Jackson Sch Geosciences, Univ Texas Austin, Inst Climate & Global Change Res, Nanjing Univ, Monsoon Asia Integrated Reg Study, Natl Nat Sci Fdn China ID EARTH SYSTEM MODELS; FRAMEWORK; SURFACE AB The Platform for Regional Integrated Modeling and Analysis (PRIMA) is an innovative modeling system developed at Pacific Northwest National Laboratory (PNNL) to simulate interactions among natural and human systems at scales relevant to regional decision making. PRIMA brings together state-of-the-art models of regional climate, hydrology, agriculture and land use, socioeconomics, and energy systems using a flexible coupling approach. Stakeholder decision support needs underpin the application of the platform to regional issues, and an uncertainty characterization process is used to identify robust decisions. The platform can be customized to inform a variety of complex questions, such as how a policy in one sector might affect the ability to meet climate mitigation targets or adaptation goals in another sector. Current numerical experiments focus on the eastern United States, but the framework is designed to be regionally flexible. This paper provides a high-level overview of PRIMA's functional capabilities and describes some key challenges and opportunities associated with integrated regional modeling. C1 [Kraucunas, Ian; Clarke, Leon; Dirks, James; Hathaway, John; Hejazi, Mohamad; Hibbard, Kathy; Huang, Maoyi; Jin, Chunlian; Kintner-Meyer, Michael; van Dam, Kerstin Kleese; Leung, Ruby; Li, Hong-Yi; Moss, Richard; Peterson, Marty; Rice, Jennie; Scott, Michael; Thomson, Allison; Voisin, Nathalie; West, Tristram] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Kraucunas, I (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM ian.kraucunas@pnnl.gov RI Huang, Maoyi/I-8599-2012; Li, Hong-Yi/C-9143-2014; OI Huang, Maoyi/0000-0001-9154-9485; Li, Hong-Yi/0000-0001-5690-3610; Hathaway, John/0000-0002-1574-0832; Voisin, Nathalie/0000-0002-6848-449X FU Office of Science of the U.S. Department of Energy through Integrated Assessment Research Program FX The authors thank Charity Plata, Jeff London, Ying Liu, Varaprasad Bandaru, Don Daly, and Jared Chase for assistance with figures. The PRIMA initiative is part of the Laboratory Directed Research and Development Program at Pacific Northwest National Laboratory, a multiprogram national laboratory operated by Battelle for the U.S. Department of Energy. Additional support for the development and application of several model components (as indicated in the text) was provided by the Office of Science of the U.S. Department of Energy through the Integrated Assessment Research Program. NR 21 TC 11 Z9 11 U1 8 U2 30 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0165-0009 EI 1573-1480 J9 CLIMATIC CHANGE JI Clim. Change PD APR PY 2015 VL 129 IS 3-4 BP 573 EP 588 DI 10.1007/s10584-014-1064-9 PG 16 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA CF0AQ UT WOS:000352205300016 ER PT J AU Zhou, W Minnick, MD Mattson, ED Geza, M Murray, KE AF Zhou, Wei Minnick, Matthew D. Mattson, Earl D. Geza, Mengistu Murray, Kyle E. TI GIS-based geospatial infrastructure of water resource assessment for supporting oil shale development in Piceance Basin of Northwestern Colorado SO COMPUTERS & GEOSCIENCES LA English DT Article DE Green River Formation; 3D Geologic Model; Retort; Arc Hydro AB Oil shale deposits of the Green River Formation (GRF) in Northwestern Colorado, Southwestern Wyoming, and Northeastern Utah may become one of the first oil shale deposits to be developed in the U.S. because of their richness, accessibility, and extensive prior characterization. Oil shale is an organicrich fine-grained sedimentary rock that contains significant amounts of kerogen from which liquid hydrocarbons can be produced. Water is needed to retort or extract oil shale at an approximate rate of three volumes of water for every volume of oil produced. Concerns have been raised over the demand and availability of water to produce oil shale, particularly in semiarid regions where water consumption must be limited and optimized to meet demands from other sectors. The economic benefit of oil shale development in this region may have tradeoffs within the local and regional environment. Due to these potential environmental impacts of oil shale development, water usage issues need to be further studied. A basin-wide baseline for oil shale and water resource data is the foundation of the study. This paper focuses on the design and construction of a centralized geospatial infrastructure for managing a large amount of oil shale and water resource related baseline data, and for setting up the frameworks for analytical and numerical models including but not limited to three-dimensional (3D) geologic, energy resource development systems, and surface water models. Such a centralized geospatial infrastructure made it possible to directly generate model inputs from the same database and to indirectly couple the different models through inputs/outputs. Thus ensures consistency of analyses conducted by researchers from different institutions, and help decision makers to balance water budget based on the spatial distribution of the oil shale and water resources, and the spatial variations of geologic, topographic, and hydrogeological characterization of the basin. This endeavor encountered many technical challenging and has not been done in the past for any oil shale basin. The database built during this study remains valuable for any other future studies involving oil shale and water resource management in the Piceance Basin. The methodology applied in the development of the GIS based geospatial infrastructure can be readily adapted for other professionals to develop database structure for other similar basins. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Zhou, Wei; Minnick, Matthew D.] Colorado Sch Mines, Dept Geol & Geol Engn, Golden, CO 80401 USA. [Geza, Mengistu] Colorado Sch Mines, Dept Civil & Environm Engn, Golden, CO 80401 USA. [Mattson, Earl D.] Idaho Natl Lab, Energy Recovery & Sustainabil Dept, Idaho Falls, ID 83415 USA. [Murray, Kyle E.] Univ Oklahoma, Oklahoma Geol Survey, Norman, OK 73019 USA. RP Zhou, W (reprint author), Colorado Sch Mines, Dept Geol & Geol Engn, 1516 Illinois St, Golden, CO 80401 USA. EM wzhou@mines.edu RI Murray, Kyle/F-5478-2010; OI Murray, Kyle/0000-0002-4069-9587; Zhou, Wendy/0000-0001-8226-375X; Mattson, Earl/0000-0002-2616-0008 FU U.S. Department of Energy [DE-NT0006554] FX This research was funded by U.S. Department of Energy (Award # DE-NT0006554). We thank USGS energy resource Program staff and scientists for making countless datasets publicly available. We also acknowledge the Colorado decision support system (Colorado division of water Resources), and the Tell Ertl Oil Shale Repository (TEOSR) at the Arthur Lakes Library of Colorado School of Mines as important sources of data. Several anonymous peer-reviewers are also acknowledged for providing input to improve this paper. NR 10 TC 1 Z9 1 U1 2 U2 17 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0098-3004 EI 1873-7803 J9 COMPUT GEOSCI-UK JI Comput. Geosci. PD APR PY 2015 VL 77 BP 44 EP 53 DI 10.1016/j.cageo.2015.01.007 PG 10 WC Computer Science, Interdisciplinary Applications; Geosciences, Multidisciplinary SC Computer Science; Geology GA CF7OA UT WOS:000352745000005 ER PT J AU Nalau, J Preston, BL Maloney, MC AF Nalau, Johanna Preston, Benjamin L. Maloney, Megan C. TI Is adaptation a local responsibility? SO ENVIRONMENTAL SCIENCE & POLICY LA English DT Article DE Climate change; Adaptation; Local scale; Multi-level governance; Australia ID CLIMATE-CHANGE ADAPTATION; GOVERNANCE; BARRIERS; INFORMATION; GOVERNMENT; POLICY; LIMITS; PLANS; RISK AB Adaptation is now firmly embedded in the societal discourse regarding the management of climate risk. In this discourse, adaptation planning and implementation at the local level are seen as particularly important for developing robust responses to climate change. However, it is not clear whether the mantra that adaptation is local holds true given the multi-level nature of climate risk governance. Using a multi-method approach, this paper examines the extent to which adaptation should be framed as a local issue and, specifically, the role of local government in adaptation relative to other actors. In so doing, the paper first explores the extent to which the local framing of adaptation is embedded in the international adaptation literature. This is followed by a specific case study from Southeast Queensland, Australia, which focuses on the critical examination of the processes of responsibility shifting and taking among actors involved in coastal adaptation planning. Results indicate the assumption that adaptation is local remains widely held in adaptation science, although counter arguments can be readily identified. Interviews with adaptation actors revealed unclear divisions of responsibility for climate change adaptation as a significant constraint on actors' willingness to implement adaptation. Furthermore, attributing responsibility for adaptation to local actors might not necessarily be a robust strategy, due to the existence of particularly strong constraints and value conflicts at local levels of governance. Greater appreciation by researchers and practitioners for the interactions between local actors and those at higher levels of governance in shaping response capacity may contribute to more equitable and effective allocations of responsibilities for adaptation action. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Nalau, Johanna] Griffith Univ, Griffith Inst Tourism GIFT, GCCRP, Nathan, Qld 4222, Australia. [Preston, Benjamin L.; Maloney, Megan C.] Oak Ridge Natl Lab, Climate Change Sci Inst, Oak Ridge, TN 37831 USA. [Preston, Benjamin L.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Maloney, Megan C.] Oak Ridge Natl Lab, Geog Informat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Nalau, J (reprint author), Griffith Univ, Griffith Inst Tourism GIFT, GCCRP, Gold Coast Campus G01,2-25, Nathan, Qld 4222, Australia. EM j.nalau@griffith.edu.au; prestonbl@ornl.gov OI Preston, Benjamin/0000-0002-7966-2386; Nalau, Johanna/0000-0001-6581-3967 NR 69 TC 13 Z9 13 U1 5 U2 20 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1462-9011 EI 1873-6416 J9 ENVIRON SCI POLICY JI Environ. Sci. Policy PD APR PY 2015 VL 48 BP 89 EP 98 DI 10.1016/j.envsci.2014.12.011 PG 10 WC Environmental Sciences SC Environmental Sciences & Ecology GA CF0QA UT WOS:000352248100009 ER PT J AU Sharon, I Kertesz, M Hug, LA Pushkarev, D Blauwkamp, TA Castelle, CJ Amirebrahimi, M Thomas, BC Burstein, D Tringe, SG Williams, KH Banfield, JF AF Sharon, Itai Kertesz, Michael Hug, Laura A. Pushkarev, Dmitry Blauwkamp, Timothy A. Castelle, Cindy J. Amirebrahimi, Mojgan Thomas, Brian C. Burstein, David Tringe, Susannah G. Williams, Kenneth H. Banfield, Jillian F. TI Accurate, multi-kb reads resolve complex populations and detect rare microorganisms SO GENOME RESEARCH LA English DT Article ID SEQUENCING DATA; METAGENOMES; DIVERSITY; SEARCH; RECONSTRUCTION; IDENTIFICATION; METABOLISM; ALIGNMENT; BACTERIA; GENOMES AB Accurate evaluation of microbial communities is essential for understanding global biogeochemical processes and can guide bioremediation and medical treatments. Metagenomics is most commonly used to analyze microbial diversity and metabolic potential, but assemblies of the short reads generated by current sequencing platforms may fail to recover heterogeneous strain populations and rare organisms. Here we used short (150-bp) and long (multi-kb) synthetic reads to evaluate strain heterogeneity and study microorganisms at low abundance in complex microbial communities from terrestrial sediments. The long-read data revealed multiple (probably dozens of) closely related species and strains from previously undescribed Deltaproteobacteria and Aminicenantes (candidate phylum OP8). Notably, these are the most abundant organisms in the communities, yet short-read assemblies achieved only partial genome coverage, mostly in the form of short scaffolds (N50 = similar to 2200 bp). Genome architecture and metabolic potential for these lineages were reconstructed using a new syntenybased method. Analysis of long-read data also revealed thousands of species whose abundances were <0.1% in all samples. Most of the organisms in this "long tail" of rare organisms belong to phyla that are also represented by abundant organisms. Genes encoding glycosyl hydrolases are significantly more abundant than expected in rare genomes, suggesting that rare species may augment the capability for carbon turnover and confer resilience to changing environmental conditions. Overall, the study showed that a diversity of closely related strains and rare organisms account for a major portion of the communities. These are probably common features of many microbial communities and can be effectively studied using a combination of long and short reads. C1 [Sharon, Itai; Hug, Laura A.; Castelle, Cindy J.; Thomas, Brian C.; Burstein, David; Banfield, Jillian F.] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. [Kertesz, Michael] Stanford Univ, Dept Bioengn, Stanford, CA 94305 USA. [Kertesz, Michael] Stanford Univ, Howard Hughes Med Inst, Stanford, CA 94305 USA. [Pushkarev, Dmitry] Stanford Univ, Dept Phys, Stanford, CA 94305 USA. [Blauwkamp, Timothy A.] Illumina Inc, Technol Dev, Hayward, CA 94545 USA. [Amirebrahimi, Mojgan; Tringe, Susannah G.] Joint Genome Inst, Dept Energy, Walnut Creek, CA 94598 USA. [Williams, Kenneth H.; Banfield, Jillian F.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Banfield, JF (reprint author), Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. EM jbanfield@berkeley.edu RI Williams, Kenneth/O-5181-2014; OI Williams, Kenneth/0000-0002-3568-1155; Tringe, Susannah/0000-0001-6479-8427; Sharon, Itai/0000-0003-0705-2316 FU Sustainable Systems Scientific Focus Area - US Department of Energy, Office of Science, Office of Biological and Environmental Research [DE-AC02-05CH11231]; DOE Kbase grant [DE-SC0004918] FX J.F.B., I.S., L.A.H., B.C.T., and C.J.C. were supported as part of the Sustainable Systems Scientific Focus Area funded by the US Department of Energy, Office of Science, Office of Biological and Environmental Research under award number DE-AC02-05CH11231 and DOE Kbase grant DE-SC0004918. Sequencing was performed at the DOE Joint Genome Institute under the CSP Program. The work was conducted in part by the US Department of Energy Joint Genome Institute. NR 38 TC 24 Z9 25 U1 2 U2 25 PU COLD SPRING HARBOR LAB PRESS, PUBLICATIONS DEPT PI COLD SPRING HARBOR PA 1 BUNGTOWN RD, COLD SPRING HARBOR, NY 11724 USA SN 1088-9051 EI 1549-5469 J9 GENOME RES JI Genome Res. PD APR PY 2015 VL 25 IS 4 BP 534 EP 543 DI 10.1101/gr.183012.114 PG 10 WC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Genetics & Heredity SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Genetics & Heredity GA CE9BU UT WOS:000352139200008 PM 25665577 ER PT J AU Silverman, RE Giarra, M Gursoy, D Socha, JJ AF Silverman, R. E. Giarra, M. Gursoy, D. Socha, J. J. TI Using TomoPy to reconstruct synchrotron micro-CT data from organisms SO INTEGRATIVE AND COMPARATIVE BIOLOGY LA English DT Meeting Abstract CT Annual Meeting of the Society-for-Integrative-and-Comparative-Biology (SICB) CY JAN 03-07, 2015 CL West Palm Beach, FL SP Soc Integrat & Comparat Biol C1 Virginia Tech, Blacksburg, VA USA. Argonne Natl Lab, Argonne, IL 60439 USA. EM resilver@vt.edu NR 0 TC 0 Z9 0 U1 5 U2 5 PU OXFORD UNIV PRESS INC PI CARY PA JOURNALS DEPT, 2001 EVANS RD, CARY, NC 27513 USA SN 1540-7063 EI 1557-7023 J9 INTEGR COMP BIOL JI Integr. Comp. Biol. PD APR PY 2015 VL 55 SU 1 MA P1.186 BP E330 EP E330 PG 1 WC Zoology SC Zoology GA CF6HS UT WOS:000352658401600 ER PT J AU Synn, JH Park, C Jung, YB Sunwoo, C Kim, KS Choi, SY Song, MK Shin, IJ Rutqvist, J AF Synn, Joong-Ho Park, Chan Jung, Yong-Bok Sunwoo, Choon Kim, Ki-Seog Choi, Si-Young Song, Myung-Kyu Shin, Ii-Jae Rutqvist, Jonny TI Integrated 3-D stress determination by hydraulic fracturing in multiple inclined boreholes beneath an underground cavern SO INTERNATIONAL JOURNAL OF ROCK MECHANICS AND MINING SCIENCES LA English DT Article DE Hydraulic fracturing; Pre-existing fracture; Multiple inclined boreholes; Integrated 3-D stress inversion; Scatter analysis ID PRINCIPAL STRESS; BREAKDOWN EQUATION; ROCK; SINGAPORE; PRESSURE; GRANITE; TESTS AB This paper presents a complete three-dimensional stress determination using hydraulic fracturing data from three inclined boreholes, drilled from the floor of an underground cavern at a depth of about 100 m. Both conventional hydraulic fracturing (HF) and hydraulic testing of pre-existing fractures (HTPF) were carried out at all test points to acquire reliable data and conduct the integrated stress analysis. We determined 3-D stress states using a numerical inversion code that integrates the entire data set from HE and HTPF methods, and employs a nonlinear least-squares optimization routine based on a modified Levenberg-Marquardt method and a finite-difference Jacobian algorithm. We present the trend of complete three-dimensional stress states, with depth expressed by correlation equations. We compare the 3-D stress inversion result for the integration of all data from the three boreholes with the results determined independently for each individual borehole. The results showed that the maximum principal stress was subhorizontal and oriented approximately NNE-SSW, and the ratio of maximum to minimum principal stress was 2.0 on average. The inverted scatter of misfit remained within 10% for both the integrated analysis of the entire data set and the measurement data for each individual borehole. From these findings, we conclude that the 3-D stress determination made by integration of HF and HTPF data from multiple inclined boreholes resulted in a reliable inversion of the 3-D stress field. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Synn, Joong-Ho; Park, Chan; Jung, Yong-Bok; Sunwoo, Choon] Korea Inst Geosci & Mineral Resources KIGAM, Taejon 305350, South Korea. [Kim, Ki-Seog; Choi, Si-Young] Heesong Geotek Co Ltd, Songnam, Gyeonggi Provin, South Korea. [Song, Myung-Kyu; Shin, Ii-Jae] Hyundai Engn & Construct Co Ltd, Seoul 110920, South Korea. [Synn, Joong-Ho; Rutqvist, Jonny] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Synn, JH (reprint author), Korea Inst Geosci & Mineral Resources, Underground Space Dept, Geol Environm Div, 124 Gwahang No, Taejon 305350, South Korea. EM jhsynn@kigam.re.kr RI Rutqvist, Jonny/F-4957-2015 OI Rutqvist, Jonny/0000-0002-7949-9785 FU Basic Research Project of the Korea Institute of Geoscience and Mineral Resources (KIGAM) from the Ministry of Science, ICT and Future Planning of Korea [GP2012-001]; project of Korea Institute of Geoscience and Mineral Resources (KIGAM) [IP2010-024]; Hyundai Engineering & Construction Co., Ltd., Korea; JTC Corporation, Singapore; KIGAM through the U.S. Department of Energy [DE-AC02-05CH11231] FX This research was supported by the Basic Research Project of the Korea Institute of Geoscience and Mineral Resources (KIGAM, GP2012-001) funded from the Ministry of Science, ICT and Future Planning of Korea and the project of Korea Institute of Geoscience and Mineral Resources (KIGAM, IP2010-024) commissioned by Heesong Geotek Co., funded from Hyundai Engineering & Construction Co., Ltd., Korea. The authors wish to acknowledge the support of the JTC Corporation, Singapore, on the test site and field work. Funding from KIGAM for Jonny Rutqvist was provided through the U.S. Department of Energy Contract No, DE-AC02-05CH11231. Editorial review by Dan Hawkes at Lawrence Berkeley National Laboratory is greatly appreciated. NR 39 TC 0 Z9 0 U1 2 U2 14 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1365-1609 EI 1873-4545 J9 INT J ROCK MECH MIN JI Int. J. Rock Mech. Min. Sci. PD APR PY 2015 VL 75 BP 44 EP 55 DI 10.1019/j.ijrmms.2015.01.012 PG 12 WC Engineering, Geological; Mining & Mineral Processing SC Engineering; Mining & Mineral Processing GA CE8YJ UT WOS:000352129700005 ER PT J AU Ungar, T Holden, TM Joni, B Clausen, B Balogh, L Csiszar, G Brown, DW AF Ungar, Tamas Holden, Thomas M. Joni, Bertalan Clausen, Bjorn Balogh, Levente Csiszar, Gabor Brown, Donald W. TI Dislocation structure in different texture components determined by neutron diffraction line profile analysis in a highly textured Zircaloy-2 rolled plate SO JOURNAL OF APPLIED CRYSTALLOGRAPHY LA English DT Article DE slip systems in individual texture components; dislocation densities in individual texture components; texture-specific substructure of Zircaloy-2; neutron diffraction line profile analysis ID X-RAY-DIFFRACTION; UNIAXIAL DEFORMATION; TENSILE DEFORMATION; STRESSES; MICROSTRUCTURE; EVOLUTION; STRAINS; ALLOYS AB A novel diffraction-based method has been developed to determine the substructure in terms of the fraction of prevailing slip systems and dislocation densities in multiple individual texture components of strongly textured materials. The method was applied to a strongly textured cold-rolled Zircaloy-2 sample, compressed along the normal direction of the rolled plate. Fourteen diffraction patterns were collected by time-of-flight neutron diffraction experiments at seven different purposely selected sample orientations. The diffraction peaks corresponding only to one single texture component out of the four prevailing components were identified and used to construct texture-specific diffraction patterns. The best five such patterns were evaluated by the convolutional multiple whole profile procedure of line profile analysis for the fractions of the prevailing a-, c+a- and c-type slip systems and the corresponding dislocation densities. It is found that in the three texture components with the c axis not parallel to the normal direction of rolling the average dislocation densities and fractions of slip-system types are the same. However, in the texture component with the c axis parallel to the normal direction of rolling the fraction of the a-type slip system is somewhat smaller than in the other components and that of the c-type slip system is somewhat larger than zero. The fractions of the prevailing slip systems are in good correlation with literature data of self-consistent polycrystal plasticity modeling of Zircaloy-2. C1 [Ungar, Tamas; Joni, Bertalan; Csiszar, Gabor] Eotvos Univ Budapest, Dept Mat Phys, H-1518 Budapest, Hungary. [Ungar, Tamas] City Univ Hong Kong, Dept Phys & Mat Sci, Kowloon, Hong Kong, Peoples R China. [Holden, Thomas M.] Northern Stress Technol, Deep River, ON K0J 1P0, Canada. [Clausen, Bjorn; Brown, Donald W.] Los Alamos Natl Lab, Lujan Ctr, Los Alamos, NM 87545 USA. [Balogh, Levente; Brown, Donald W.] Los Alamos Natl Lab, Mat Sci & Technol Div, Los Alamos, NM 87545 USA. [Balogh, Levente] Queens Univ, Dept Mech & Mat Engn, Kingston, ON K7L 3N6, Canada. RP Ungar, T (reprint author), Eotvos Univ Budapest, Dept Mat Phys, POB 32, H-1518 Budapest, Hungary. EM ungar@ludens.elte.hu RI Clausen, Bjorn/B-3618-2015; Balogh, Levente/S-1238-2016 OI Clausen, Bjorn/0000-0003-3906-846X; FU Hungarian project [TAMOP-4.2.2.A-11/1/KONV-2012-0027]; US Department of Energy's Office of Basic Energy Sciences [DE-AC52-06NA25396] FX TU and BJ are grateful for the partial support of the Hungarian TAMOP-4.2.2.A-11/1/KONV-2012-0027 project. This work has benefited from the use of the Manual Lujan Jr Neutron Scattering Center at LANSCE, funded by the US Department of Energy's Office of Basic Energy Sciences, operated by Los Alamos National Security under Department of Energy contract DE-AC52-06NA25396. NR 20 TC 2 Z9 2 U1 0 U2 8 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0021-8898 EI 1600-5767 J9 J APPL CRYSTALLOGR JI J. Appl. Crystallogr. PD APR PY 2015 VL 48 BP 409 EP 417 DI 10.1107/S1600576715001338 PN 2 PG 9 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA CF0JH UT WOS:000352229100012 ER PT J AU Senesi, A Lee, B AF Senesi, Andrew Lee, Byeongdu TI Scattering functions of polyhedra SO JOURNAL OF APPLIED CRYSTALLOGRAPHY LA English DT Article DE polyhedra; subunits; scattering functions; small-angle scattering; form factors ID ANGLE NEUTRON-SCATTERING; NANOSCALE FORCES; BUILDING-BLOCKS; SUPERLATTICES; NANOPARTICLES; NANOCRYSTALS; GOLD AB Herein, a general method to calculate the scattering functions of polyhedra, including both regular and semi-regular polyhedra, is presented. These calculations may be achieved by breaking a polyhedron into sets of congruent pieces, thereby reducing computation time by taking advantage of Fourier transforms and inversion symmetry. Each piece belonging to a set or subunit can be generated by either rotation or translation. Further, general strategies to compute truncated, concave and stellated polyhedra are provided. Using this method, the asymptotic behaviors of the polyhedral scattering functions are compared with that of a sphere. It is shown that, for a regular polyhedron, the form factor oscillation at high q is correlated with the face-to-face distance. In addition, polydispersity affects the Porod constant. The ideas presented herein will be important for the characterization of nanomaterials using small-angle scattering. C1 [Senesi, Andrew; Lee, Byeongdu] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. RP Lee, B (reprint author), Argonne Natl Lab, Xray Sci Div, 9700 South Cass Ave, Argonne, IL 60439 USA. EM blee@anl.gov OI Lee, Byeongdu/0000-0003-2514-8805 FU US DOE [DE-AC02-06CH11357] FX The authors were supported by the US DOE under contract No. DE-AC02-06CH11357. NR 29 TC 5 Z9 5 U1 5 U2 9 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0021-8898 EI 1600-5767 J9 J APPL CRYSTALLOGR JI J. Appl. Crystallogr. PD APR PY 2015 VL 48 BP 565 EP 577 DI 10.1107/S1600576715002964 PN 2 PG 13 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA CF0JH UT WOS:000352229100027 ER PT J AU Hagos, S Leung, LR Yang, Q Zhao, C Lu, J AF Hagos, Samson Leung, L. Ruby Yang, Qing Zhao, Chun Lu, Jian TI Resolution and Dynamical Core Dependence of Atmospheric River Frequency in Global Model Simulations SO JOURNAL OF CLIMATE LA English DT Article ID CENTROIDAL VORONOI TESSELLATIONS; WEST-COAST; AQUAPLANET SIMULATIONS; WINTER PRECIPITATION; NORTH PACIFIC; CALIFORNIA; REANALYSIS; SATELLITE; MOISTURE; IMPACTS AB This study examines the sensitivity of atmospheric river (AR) frequency simulated by a global model with different grid resolutions and dynamical cores. Analysis is performed on aquaplanet simulations using version 4 of the Community Atmosphere Model (CAM4) at 240-, 120-, 60-, and 30-km model resolutions, each with the Model for Prediction Across Scales (MPAS) and High-Order Methods Modeling Environment (HOMME) dynamical cores. The frequency of AR events decreases with model resolution and the HOMME dynamical core produces more AR events than MPAS. Comparing the frequencies determined using absolute and percentile thresholds of large-scale conditions used to define an AR, model sensitivity is found to be related to the overall sensitivity of subtropical westerlies, atmospheric precipitable water content and profile, and to a lesser extent extratropical Rossby wave activity to model resolution and dynamical core. Real-world simulations using MPAS at 120-and 30-km grid resolutions also exhibit a decrease of AR frequency with increasing resolution over the southern east Pacific, but the difference is smaller over the northern east Pacific. This interhemispheric difference is related to the enhancement of convection in the tropics with increased resolution. This anomalous convection sets off Rossby wave patterns that weaken the subtropical westerlies over the southern east Pacific but has relatively little effect on those over the northern east Pacific. In comparison to the NCEP-2 reanalysis, MPAS real-world simulations are found to underestimate AR frequencies at both resolutions likely because of their climatologically drier subtropics and poleward-shifted jets. This study highlights the important links between model climatology of large-scale conditions and extremes. C1 [Hagos, Samson; Leung, L. Ruby; Yang, Qing; Zhao, Chun; Lu, Jian] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Hagos, S (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99352 USA. EM samson.hagos@pnnl.gov RI Yang, Qing/H-3275-2011; Zhao, Chun/A-2581-2012 OI Yang, Qing/0000-0003-2067-5999; Zhao, Chun/0000-0003-4693-7213 FU U.S. Department of Energy Office of Science Biological and Environmental Research as part of the Regional and Global Climate Modeling Program; U.S. Department of Energy [DE-AC05-76RLO1830] FX This research is based on work supported by the U.S. Department of Energy Office of Science Biological and Environmental Research as part of the Regional and Global Climate Modeling Program. Computing resources for the model simulations are provided by the National Energy Research Scientific Computing Center (NERSC). Pacific Northwest National Laboratory is operated by Battelle for the U.S. Department of Energy under Contract DE-AC05-76RLO1830. NR 39 TC 15 Z9 15 U1 1 U2 10 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 0894-8755 EI 1520-0442 J9 J CLIMATE JI J. Clim. PD APR PY 2015 VL 28 IS 7 BP 2764 EP 2776 DI 10.1175/JCLI-D-14-00567.1 PG 13 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA CE6IO UT WOS:000351940300016 ER PT J AU Zarzycki, CM Jablonowski, C Thatcher, DR Taylor, MA AF Zarzycki, Colin M. Jablonowski, Christiane Thatcher, Diana R. Taylor, Mark A. TI Effects of Localized Grid Refinement on the General Circulation and Climatology in the Community Atmosphere Model SO JOURNAL OF CLIMATE LA English DT Article ID LATERAL BOUNDARY-CONDITIONS; SHALLOW-WATER EQUATIONS; SPECTRAL ELEMENT METHOD; DYNAMICAL CORE; HORIZONTAL RESOLUTION; AQUAPLANET SIMULATIONS; GLOBAL CLIMATE; EASTERLY WAVES; VERSION 3; PRECIPITATION AB Using the spectral element (SE) dynamical core within the National Center for Atmospheric Research-Department of Energy Community Atmosphere Model (CAM), a regionally refined nest at 0.25 degrees (similar to 28 km) horizontal resolution located over the North Atlantic is embedded within a global 1 degrees (similar to 111 km) grid. A 23-yr simulation using Atmospheric Model Intercomparison Project (AMIP) protocols and default CAM, version 5, physics is compared to an identically forced run using the global 1 degrees (similar to 111 km) grid without refinement. The addition of a refined patch over the Atlantic basin does not noticeably affect the global circulation. In the area where the refinement is located, large-scale precipitation increases with the higher resolution. This increase is partly offset by a decrease in precipitation resulting from convective parameterizations, although total precipitation is also slightly higher at finer resolutions. Equatorial waves are not significantly impacted when traversing multiple grid spacings. Despite the grid transition region bisecting northern Africa, local zonal jets and African easterly wave activity are highly similar in both simulations. The frequency of extreme precipitation events increases with resolution, although this increase is restricted to the refined patch. Topography is better resolved in the nest as a result of finer grid spacing. The spatial patterns of variables with strong orographic forcing (such as precipitation, cloud, and precipitable water) are improved with local refinement. Additionally, dynamical features, such as wind patterns, associated with steep terrain are improved in the variable-resolution simulation when compared to the uniform coarser run. C1 [Zarzycki, Colin M.; Jablonowski, Christiane; Thatcher, Diana R.] Univ Michigan, Dept Atmospher Ocean & Space Sci, Ann Arbor, MI 48109 USA. [Taylor, Mark A.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Zarzycki, CM (reprint author), Natl Ctr Atmospher Res, POB 3000, Boulder, CO 80307 USA. EM zarzycki@ucar.edu RI Zarzycki, Colin/E-5691-2014; Jablonowski, Christiane/I-9068-2012 OI Jablonowski, Christiane/0000-0003-0407-0092 FU U.S. Department of Energy, Office of Science [DE-SC0003990, DE-SC0006684]; DOE Office of Biological and Environmental Research [12-015334, 11-014996] FX The authors thank Peter Lauritzen for his assistance with topography generation on VR grids, Chris Skinner for providing useful scripts regarding the African wave analysis, and Paul Ullrich for contributing computing time to complete a subset of the simulations. The authors also acknowledge Lucas Harris and two anonymous reviewers for useful comments which improved this manuscript. C.M.Z, C.J., and D.R.T. were supported by the U.S. Department of Energy, Office of Science Awards DE-SC0003990 and DE-SC0006684. M.A.T. was supported by supported by the DOE Office of Biological and Environmental Research, work packages 12-015334 and 11-014996. Some of this work was completed during the "Multiscale Numerics for the Atmosphere and Ocean" program at the Issac Newton Institute for Mathematical Sciences in Cambridge, United Kingdom. TRMM and NCEP Reanalysis data provided by the NOAA/OAR/ESRL PSD, Boulder, Colorado, from their website at www.esrl.noaa.gov/psd/. MERRA data was provided by the Global Modeling and Assimilation Office (GMAO) at NASA Goddard Space Flight Center through the NASA GES DISC online archive. Portions of the data analysis were completed using the Community Earth System Model Atmosphere Model Working Group variability package, available at www.cgd.ucar.edu/amp/amwg/vdiag/index.html. NR 76 TC 10 Z9 10 U1 3 U2 6 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 0894-8755 EI 1520-0442 J9 J CLIMATE JI J. Clim. PD APR PY 2015 VL 28 IS 7 BP 2777 EP 2803 DI 10.1175/JCLI-D-14-00599.1 PG 27 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA CE6IO UT WOS:000351940300017 ER PT J AU Kurt, TD Jiang, L Fernandez-Borges, N Bett, C Liu, J Yang, T Spraker, TR Castilla, J Eisenberg, D Kong, QZ Sigurdson, CJ AF Kurt, Timothy D. Jiang, Lin Fernandez-Borges, Natalia Bett, Cyrus Liu, Jun Yang, Tom Spraker, Terry R. Castilla, Joaquin Eisenberg, David Kong, Qingzhong Sigurdson, Christina J. TI Human prion protein sequence elements impede cross-species chronic wasting disease transmission SO JOURNAL OF CLINICAL INVESTIGATION LA English DT Article ID CREUTZFELDT-JAKOB-DISEASE; TRANSGENIC MICE; NMR STRUCTURE; BETA-2-ALPHA-2 LOOP; CHINESE-HAMSTERS; NATURAL SCRAPIE; SHEEP SCRAPIE; VARIANT CJD; GUINEA-PIGS; IN-VITRO AB Chronic wasting disease (CWD) is a fatal prion disease of North American deer and elk and poses an unclear risk for transmission to humans. Human exposure to CWD occurs through hunting activities and consumption of venison from prion-infected animals. Although the amino acid residues of the prion protein (PrP) that prevent or permit human CWD infection are unknown, NMR-based structural studies suggest that the beta 2-alpha 2 loop (residues 165-175) may impact species barriers. Here we sought to define PrP sequence determinants that affect CWD transmission to humans. We engineered transgenic mice that express human PrP with four amino acid substitutions that result in expression of PrP with a beta 2-alpha 2 loop (residues 165-175) that exactly matches that of elk PrP. Compared with transgenic mice expressing unaltered human PrP, mice expressing the human-elk chimeric PrP were highly susceptible to elk and deer CWD prions but were concurrently less susceptible to human Creutzfeldt-Jakob disease prions. A systematic in vitro survey of amino acid differences between humans and cervids identified two additional residues that impacted CWD conversion of human PrP. This work identifies amino acids that constitute a substantial structural barrier for CWD transmission to humans and helps illuminate the molecular requirements for cross-species prion transmission. C1 [Kurt, Timothy D.; Bett, Cyrus; Liu, Jun; Yang, Tom; Sigurdson, Christina J.] Univ Calif San Diego, Dept Pathol, La Jolla, CA 92093 USA. [Kurt, Timothy D.; Bett, Cyrus; Liu, Jun; Yang, Tom; Sigurdson, Christina J.] Univ Calif San Diego, Dept Med, La Jolla, CA 92093 USA. [Jiang, Lin; Eisenberg, David] Univ Calif Los Angeles, Howard Hughes Med Inst, UCLA DOE Inst, Los Angeles, CA 90024 USA. [Jiang, Lin; Eisenberg, David] Univ Calif Los Angeles, Inst Mol Biol, Los Angeles, CA 90024 USA. [Fernandez-Borges, Natalia; Castilla, Joaquin] CIC BioGUNE, Derio, Spain. [Spraker, Terry R.] Colorado State Univ, Dept Microbiol Immunol & Pathol, Ft Collins, CO 80523 USA. [Castilla, Joaquin] Ikerbasque, Basque Fdn Sci, E-48011 Bilbao, Spain. [Kong, Qingzhong] Case Western Reserve Univ, Dept Pathol, Cleveland, OH 44106 USA. [Kong, Qingzhong] Case Western Reserve Univ, Dept Neurol, Cleveland, OH 44106 USA. [Kong, Qingzhong] Case Western Reserve Univ, Natl Ctr Regenerat Med, Cleveland, OH 44106 USA. [Sigurdson, Christina J.] UCD, Dept Pathol Microbiol & Immunol, Davis, CA USA. RP Sigurdson, CJ (reprint author), Univ Calif San Diego, Dept Pathol, 9500 Gilman Dr, La Jolla, CA 92093 USA. EM csigurdson@ucsd.edu RI Fernandez-Borges, Natalia/H-1875-2012; Castilla, Joaquin/D-5261-2011 OI Castilla, Joaquin/0000-0002-2216-1361 FU NIH [NS055116, NS069566, NS076896, U54AI0359, AG029430]; Morris Animal Foundation [D13ZO-419]; [AGL2012-37988-C04-01]; [CTP2013-P05]; [EFA205/11] FX We thank Michael Oldstone, Edward Hoover, and Steven Gonias for helpful discussions; Gary Landucci, Donald Forthal, and Alan Barbour for biosafety support and discussions; Tran Phan for excellent technical support; and the animal caretakers at UCSD and UC Irvine. We thank Jean Jewell for CWD inocula used in the PMCA experiments. This study was supported by the NIH (NS055116, NS069566, NS076896, and U54AI0359 [to C.J. Sigurdson] and AG029430 [to D.S. Eisenberg]), national grants from Spain (AGL2012-37988-C04-01, CTP2013-P05, and EFA205/11 [to J. Castilla]) and a fellowship from the Morris Animal Foundation (D13ZO-419 to T.D. Kurt). NR 68 TC 9 Z9 9 U1 4 U2 25 PU AMER SOC CLINICAL INVESTIGATION INC PI ANN ARBOR PA 35 RESEARCH DR, STE 300, ANN ARBOR, MI 48103 USA SN 0021-9738 EI 1558-8238 J9 J CLIN INVEST JI J. Clin. Invest. PD APR PY 2015 VL 125 IS 4 BP 1485 EP 1496 DI 10.1172/JCI79408 PG 12 WC Medicine, Research & Experimental SC Research & Experimental Medicine GA CF0QF UT WOS:000352248600015 PM 25705888 ER PT J AU Hsu, SC Moser, AL Merritt, EC Adams, CS Dunn, JP Brockington, S Case, A Gilmore, M Lynn, AG Messer, SJ Witherspoon, FD AF Hsu, S. C. Moser, A. L. Merritt, E. C. Adams, C. S. Dunn, J. P. Brockington, S. Case, A. Gilmore, M. Lynn, A. G. Messer, S. J. Witherspoon, F. D. TI Laboratory plasma physics experiments using merging supersonic plasma jets SO JOURNAL OF PLASMA PHYSICS LA English DT Article ID MAGNETIZED TARGET FUSION; PARAMETER SPACE; SHOCK-WAVE; PENETRATION; FIELD AB We describe a laboratory plasma physics experiment at Los Alamos National Laboratory that uses two merging supersonic plasma jets formed and launched by pulsed-power-driven railguns. The jets can be formed using any atomic species or mixture available in a compressed-gas bottle and have the following nominal initial parameters at the railgun nozzle exit: n(e) approximate to n(i) similar to 10(16) cm(-3), T-e approximate to T-i approximate to 1.4 eV, V-jet approximate to 30-100 km/s, mean charge (Z) over bar approximate to 1, sonic Mach number M-s = V-jet/C-s > 10, jet diameter = 5 cm, and jet length approximate to 20 cm. Experiments to date have focused on the study of merging-jet dynamics and the shocks that form as a result of the interaction, in both collisional and collisionless regimes with respect to the inter-jet classical ion mean free path, and with and without an applied magnetic field. However, many other studies are also possible, as discussed in this paper. C1 [Hsu, S. C.; Moser, A. L.; Merritt, E. C.; Adams, C. S.; Dunn, J. P.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Merritt, E. C.; Adams, C. S.; Gilmore, M.; Lynn, A. G.] Univ New Mexico, Albuquerque, NM 87131 USA. [Brockington, S.; Case, A.; Messer, S. J.; Witherspoon, F. D.] HyperV Technol Corp, Chantilly, VA 20151 USA. RP Hsu, SC (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. EM scotthsu@lanl.gov OI Hsu, Scott/0000-0002-6737-4934 FU Office of Science (Office of Fusion Energy Sciences); LANL Laboratory Directed Research and Development (LDRD) Program under U.S. Department of Energy [DE-AC52-06NA25396] FX We thank Dr. Y. C. F. Thio and Dr. J. T. Cassibry for many useful conversations and Dr. Glen Wurden and Dr. Thomas Intrator for loaning numerous items of laboratory and diagnostic equipment, especially the multiple-frame CCD camera. This work was supported by the Office of Science (Office of Fusion Energy Sciences) and the LANL Laboratory Directed Research and Development (LDRD) Program under U.S. Department of Energy contract no. DE-AC52-06NA25396. NR 45 TC 3 Z9 3 U1 3 U2 17 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0022-3778 EI 1469-7807 J9 J PLASMA PHYS JI J. Plasma Phys. PD APR PY 2015 VL 81 AR 345810201 DI 10.1017/S0022377814001184 PN 2 PG 12 WC Physics, Fluids & Plasmas SC Physics GA CE9WL UT WOS:000352194000025 ER PT J AU Nilson, PM Gao, L Igumenshchev, IV Fiksel, G Yan, R Davies, JR Martinez, D Smalyuk, VA Haines, MG Blackman, EG Froula, DH Betti, R Meyerhofer, DD AF Nilson, Philip M. Gao, L. Igumenshchev, I. V. Fiksel, G. Yan, R. Davies, J. R. Martinez, D. Smalyuk, V. A. Haines, M. G. Blackman, E. G. Froula, D. H. Betti, R. Meyerhofer, D. D. TI Magnetic-field generation by the ablative nonlinear Rayleigh-Taylor instability SO JOURNAL OF PLASMA PHYSICS LA English DT Article ID INERTIAL CONFINEMENT FUSION; SCALING LAWS; OMEGA LASER AB Experiments reporting magnetic-field generation by the ablative nonlinear Rayleigh-Taylor (RT) instability are reviewed. The experiments show how large-scale magnetic fields can, under certain circumstances, emerge and persist in strongly driven laboratory and astrophysical flows at drive pressures exceeding one million times atmospheric pressure. C1 [Nilson, Philip M.; Gao, L.; Igumenshchev, I. V.; Fiksel, G.; Yan, R.; Davies, J. R.; Blackman, E. G.; Froula, D. H.; Betti, R.; Meyerhofer, D. D.] Univ Rochester, Laser Energet Lab, Rochester, NY 14623 USA. [Nilson, Philip M.; Yan, R.; Davies, J. R.; Betti, R.; Meyerhofer, D. D.] Univ Rochester, Fus Sci Ctr, Rochester, NY 14623 USA. [Gao, L.; Yan, R.; Davies, J. R.; Betti, R.; Meyerhofer, D. D.] Univ Rochester, Dept Mech Engn, Rochester, NY 14623 USA. [Martinez, D.; Smalyuk, V. A.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Haines, M. G.] Univ London Imperial Coll Sci Technol & Med, Dept Phys, London SW7 2AZ, England. [Blackman, E. G.; Betti, R.; Meyerhofer, D. D.] Univ Rochester, Dept Phys, Rochester, NY 14623 USA. RP Nilson, PM (reprint author), Univ Rochester, Laser Energet Lab, 250 E River Rd, Rochester, NY 14623 USA. EM pnil@lle.rochester.edu RI Gao, Lan/K-7187-2016 OI Gao, Lan/0000-0002-4119-2825 FU Department of Energy National Nuclear Security Administration [DE-NA0001944]; University of Rochester; New York State Energy Research and Development Authority FX This material is based upon work supported by the Department of Energy National Nuclear Security Administration under Award Number DE-NA0001944, the University of Rochester, and the New York State Energy Research and Development Authority. The support of DOE does not constitute an endorsement by DOE of the views expressed in this article. NR 37 TC 0 Z9 0 U1 2 U2 8 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0022-3778 EI 1469-7807 J9 J PLASMA PHYS JI J. Plasma Phys. PD APR PY 2015 VL 81 AR 365810201 DI 10.1017/S0022377814001093 PN 2 PG 12 WC Physics, Fluids & Plasmas SC Physics GA CE9WL UT WOS:000352194000017 ER PT J AU Duarte, M Almgren, AS Bell, JB AF Duarte, Max Almgren, Ann S. Bell, John B. TI A Low Mach Number Model for Moist Atmospheric Flows SO JOURNAL OF THE ATMOSPHERIC SCIENCES LA English DT Article ID IA SUPERNOVAE; ANELASTIC APPROXIMATION; POTENTIAL TEMPERATURE; SPATIAL DIMENSIONS; SCALE ANALYSIS; CONVECTION; EQUATIONS; DEEP; HYDRODYNAMICS; SIMULATION AB A low Mach number model for moist atmospheric flows is introduced that accurately incorporates reversible moist processes in flows whose features of interest occur on advective rather than acoustic time scales. Total water is used as a prognostic variable, so that water vapor and liquid water are diagnostically recovered as needed from an exact Clausius-Clapeyron formula for moist thermodynamics. Low Mach number models can be computationally more efficient than a fully compressible model, but the low Mach number formulation introduces additional mathematical and computational complexity because of the divergence constraint imposed on the velocity field. Here, latent heat release is accounted for in the source term of the constraint by estimating the rate of phase change based on the time variation of saturated water vapor subject to the thermodynamic equilibrium constraint. The authors numerically assess the validity of the low Mach number approximation for moist atmospheric flows by contrasting the low Mach number solution to reference solutions computed with a fully compressible formulation for a variety of test problems. C1 [Duarte, Max; Almgren, Ann S.; Bell, John B.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Ctr Computat Sci & Engn, Berkeley, CA 94720 USA. RP Duarte, M (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Ctr Computat Sci & Engn, 1 Cyclotron Rd MS 50A-1148, Berkeley, CA 94720 USA. EM mdgonzalez@lbl.gov FU U.S. Department of Energy, Office of Science, Office of Advanced Scientific Computing Research, Applied Mathematics program [DE-AC02005CH11231] FX This material is based upon work supported by the U.S. Department of Energy, Office of Science, Office of Advanced Scientific Computing Research, Applied Mathematics program under contract DE-AC02005CH11231. NR 33 TC 3 Z9 3 U1 0 U2 1 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 0022-4928 EI 1520-0469 J9 J ATMOS SCI JI J. Atmos. Sci. PD APR PY 2015 VL 72 IS 4 BP 1605 EP 1620 DI 10.1175/JAS-D-14-0248.1 PG 16 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA CE8QH UT WOS:000352108200021 ER PT J AU Wong, M Skamarock, WC Lauritzen, PH Klemp, JB Stull, RB AF Wong, May Skamarock, William C. Lauritzen, Peter H. Klemp, Joseph B. Stull, Roland B. TI Testing of a Cell-Integrated Semi-Lagrangian Semi-Implicit Nonhydrostatic Atmospheric Solver (CSLAM-NH) with Idealized Orography SO MONTHLY WEATHER REVIEW LA English DT Article ID SHALLOW-WATER MODEL; MOUNTAIN WAVES; DOWNSLOPE WINDSTORMS; TRACER TRANSPORT; PART I; SCHEME; EQUATIONS; ADVECTION; FLOW; SIMULATION AB A recently developed cell-integrated semi-Lagrangian (CISL) semi-implicit nonhydrostatic atmospheric solver that uses the conservative semi-Lagrangian multitracer (CSLAM) transport scheme is extended to include orographic influences. With the introduction of a new semi-implicit CISL discretization of the continuity equation, the nonhydrostatic solver, called CSLAM-NH, has been shown to ensure inherently conservative and numerically consistent transport of air mass and other scalar variables, such as moisture and passive tracers. The extended CSLAM-NH presented here includes two main modifications: transformation of the equation set to a terrain-following height coordinate to incorporate orography and an iterative centered-implicit time-stepping scheme to enhance the stability of the scheme associated with gravity wave propagation at large time steps. CSLAM-NH is tested for a suite of idealized 2D flows, including linear mountain waves (dry), a downslope windstorm (dry), and orographic cloud formation. C1 [Wong, May; Stull, Roland B.] Univ British Columbia, Vancouver, BC V5Z 1M9, Canada. [Skamarock, William C.; Lauritzen, Peter H.; Klemp, Joseph B.] Natl Ctr Atmospher Res, Boulder, CO 80307 USA. RP Wong, M (reprint author), Pacific NW Natl Lab, Atmospher Sci & Global Change Div, 902 Battelle Blvd,POB 999,MSIN K9-24, Richland, WA 99352 USA. EM may.wong@pnnl.gov FU Canadian Natural Science and Engineering Research Council FX The initial research of this work was done during the first author's visits to the National Center for Atmospheric Research through the Graduate Visitor Advanced Study Program. The authors thank Dr. James Doyle for providing the sounding data used in the initialization of the 11 January 1972 Boulder windstorm case. This research is funded by the Canadian Natural Science and Engineering Research Council via a Discovery Grant to the last author. NR 44 TC 0 Z9 0 U1 1 U2 2 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 0027-0644 EI 1520-0493 J9 MON WEATHER REV JI Mon. Weather Rev. PD APR PY 2015 VL 143 IS 4 BP 1382 EP 1398 DI 10.1175/MWR-D-14-00059.1 PG 17 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA CE8PR UT WOS:000352106400022 ER PT J AU Kohler, A Kuo, A Nagy, LG Morin, E Barry, KW Buscot, F Canback, B Choi, C Cichocki, N Clum, A Colpaert, J Copeland, A Costa, MD Dore, J Floudas, D Gay, G Girlanda, M Henrissat, B Herrmann, S Hess, J Hogberg, N Johansson, T Khouja, HR LaButti, K Lahrmann, U Levasseur, A Lindquist, EA Lipzen, A Marmeisse, R Martino, E Murat, C Ngan, CY Nehls, U Plett, JM Pringle, A Ohm, RA Perotto, S Peter, M Riley, R Rineau, F Ruytinx, J Salamov, A Shah, F Sun, H Tarkka, M Tritt, A Veneault-Fourrey, C Zuccaro, A Tunlid, A Grigoriev, IV Hibbett, DS Martin, F AF Kohler, Annegret Kuo, Alan Nagy, Laszlo G. Morin, Emmanuelle Barry, Kerrie W. Buscot, Francois Canback, Bjorn Choi, Cindy Cichocki, Nicolas Clum, Alicia Colpaert, Jan Copeland, Alex Costa, Mauricio D. Dore, Jeanne Floudas, Dimitrios Gay, Gilles Girlanda, Mariangela Henrissat, Bernard Herrmann, Sylvie Hess, Jaqueline Hogberg, Nils Johansson, Tomas Khouja, Hassine-Radhouane LaButti, Kurt Lahrmann, Urs Levasseur, Anthony Lindquist, Erika A. Lipzen, Anna Marmeisse, Roland Martino, Elena Murat, Claude Ngan, Chew Y. Nehls, Uwe Plett, Jonathan M. Pringle, Anne Ohm, Robin A. Perotto, Silvia Peter, Martina Riley, Robert Rineau, Francois Ruytinx, Joske Salamov, Asaf Shah, Firoz Sun, Hui Tarkka, Mika Tritt, Andrew Veneault-Fourrey, Claire Zuccaro, Alga Tunlid, Anders Grigoriev, Igor V. Hibbett, David S. Martin, Francis CA Mycorrhizal Genomics Initiative Co TI Convergent losses of decay mechanisms and rapid turnover of symbiosis genes in mycorrhizal mutualists SO NATURE GENETICS LA English DT Article ID LACCARIA-BICOLOR; BOREAL FOREST; CARBON; GENOME; FUNGI; PROTEIN; INSIGHTS; ORIGINS; LITTER; ROOTS AB To elucidate the genetic bases of mycorrhizal lifestyle evolution, we sequenced new fungal genomes, including 13 ectomycorrhizal (ECM), orchid (ORM) and ericoid (ERM) species, and five saprotrophs, which we analyzed along with other fungal genomes. Ectomycorrhizal fungi have a reduced complement of genes encoding plant cell wall-degrading enzymes (PCWDEs), as compared to their ancestral wood decayers. Nevertheless, they have retained a unique array of PCWDEs, thus suggesting that they possess diverse abilities to decompose lignocellulose. Similar functional categories of nonorthologous genes are induced in symbiosis. Of induced genes, 7-38% are orphan genes, including genes that encode secreted effector-like proteins. Convergent evolution of the mycorrhizal habit in fungi occurred via the repeated evolution of a 'symbiosis toolkit', with reduced numbers of PCWDEs and lineage-specific suites of mycorrhiza-induced genes. C1 [Kohler, Annegret; Morin, Emmanuelle; Cichocki, Nicolas; Martino, Elena; Murat, Claude; Plett, Jonathan M.; Veneault-Fourrey, Claire; Martin, Francis] INRA, Lab Excellence Adv Res Biol Tree & Forest Ecosyst, UMR 1136, Champenoux, France. [Kohler, Annegret; Kuo, Alan; Morin, Emmanuelle; Cichocki, Nicolas; Murat, Claude; Plett, Jonathan M.; Veneault-Fourrey, Claire; Martin, Francis] Univ Lorraine, Lab Excellence ARBRE, UMR 1136, Champenoux, France. [Kuo, Alan; Barry, Kerrie W.; Choi, Cindy; Clum, Alicia; Copeland, Alex; LaButti, Kurt; Lindquist, Erika A.; Lipzen, Anna; Ngan, Chew Y.; Ohm, Robin A.; Riley, Robert; Salamov, Asaf; Sun, Hui; Tritt, Andrew; Grigoriev, Igor V.] US DOE, JGI, Walnut Creek, CA USA. [Nagy, Laszlo G.; Floudas, Dimitrios; Hibbett, David S.] Clark Univ, Dept Biol, Worcester, MA 01610 USA. [Nagy, Laszlo G.] Hungarian Acad Sci, Biol Res Ctr, Inst Biochem, Synthet & Syst Biol Unit, H-6701 Szeged, Hungary. [Buscot, Francois; Herrmann, Sylvie; Tarkka, Mika] Helmholtz Zentrum Umweltforsch, Helmholtz Ctr Environm Res, Dept Soil Ecol, Halle, Germany. [Buscot, Francois; Herrmann, Sylvie; Tarkka, Mika] German Ctr Integrat Biodivers Res iDiv, Leipzig, Germany. [Canback, Bjorn; Shah, Firoz; Tunlid, Anders] Lund Univ, Microbial Ecol Grp, Dept Biol, Lund, Sweden. [Colpaert, Jan; Johansson, Tomas; Rineau, Francois; Ruytinx, Joske] Hasselt Univ, Ctr Environm Sci, Diepenbeek, Belgium. [Costa, Mauricio D.] Univ Fed Vicosa, Bolsista Conselho Nacl Desenvolvimento Cient & Te, Dept Microbiol, Vicosa, MG, Brazil. [Dore, Jeanne; Gay, Gilles; Marmeisse, Roland] Univ Lyon 1, Univ Lyon, Unite Contrat INRA 1364, UMR CNRS 5557, F-69622 Villeurbanne, France. [Girlanda, Mariangela; Khouja, Hassine-Radhouane; Martino, Elena; Perotto, Silvia] Univ Turin, Dipartimento Sci Vita & Biol Sistemi, Turin, Italy. [Henrissat, Bernard; Levasseur, Anthony] Aix Marseille Univ, CNRS, UMR 7257, Marseille, France. [Henrissat, Bernard] Aix Marseille Univ, Architecture Fonct Macromol Biol, UMR 7257, Marseille, France. [Henrissat, Bernard] King Abdulaziz Univ, Dept Biol Sci, Jeddah 21413, Saudi Arabia. [Hess, Jaqueline] Univ Oslo, Dept Biosci, Oslo, Norway. [Hogberg, Nils] Swedish Univ Agr Sci, Dept Forest Mycol & Pathol, Uppsala, Sweden. [Lahrmann, Urs; Zuccaro, Alga] Max Planck Inst Terr Microbiol, Dept Organism Interact, D-35043 Marburg, Germany. [Nehls, Uwe] Univ Bremen, Dept Ecol Biol Chem Bot, D-28359 Bremen, Germany. [Pringle, Anne] Harvard Univ, Harvard Forest, Petersham, MA USA. [Peter, Martina] Swiss Fed Inst Forest Snow & Landscape Res, Forest Dynam, WSL, CH-8903 Birmensdorf, Switzerland. [Zuccaro, Alga] Univ Cologne, Inst Bot, Cluster Excellence Plant Sci CEPLAS, D-50931 Cologne, Germany. RP Martin, F (reprint author), INRA, Lab Excellence Adv Res Biol Tree & Forest Ecosyst, UMR 1136, Champenoux, France. EM DHibbett@clarku.edu; fmartin@nancy.inra.fr RI iDiv, Deutsches Zentrum/B-5164-2016; Ohm, Robin/I-6689-2016; Zuccaro, Alga/Q-2450-2015; Tarkka, Mika/G-4374-2013; Fac Sci, KAU, Biol Sci Dept/L-4228-2013; OI Colpaert, Jan V/0000-0003-1610-1861; Zuccaro, Alga/0000-0002-8026-0114; Tarkka, Mika/0000-0003-4630-351X; Hess, Jaqueline/0000-0003-3281-5434; Plett, Jonathan/0000-0003-0514-8146 FU US Department of Energy Joint Genome Institute, a DOE Office of Science User Facility [DE-AC02-05CH11231]; Laboratory of Excellence ARBRE [ANR-11-LABX-0002-01]; Genomic Science Program (Plant-Microbe Interactions project) - US Department of Energy, Office of Science, Biological and Environmental Research [DE-AC05-00OR22725]; Lorraine Region Council; US National Science Foundation [DEB-1208719, DEB-0933081, DEB-1021606]; German Centre for Integrative Biodiversity Research (iDiv) Halle-Jena-Leipzig [DFG FTZ 118]; German Science Foundation (DFG) [BU941/20-1]; Swedish Research Council; Laboratory of Excellence TULIP [ANR-10-LABX-41, ANR-11-IDEX-0002-02] FX This material is based on work conducted by the US Department of Energy Joint Genome Institute, a DOE Office of Science User Facility, supported under contract no. DE-AC02-05CH11231. This work was also supported by the Laboratory of Excellence ARBRE (ANR-11-LABX-0002-01), the Genomic Science Program (Plant-Microbe Interactions project) funded by the US Department of Energy, Office of Science, Biological and Environmental Research (contract DE-AC05-00OR22725), the Lorraine Region Council (to F.M.), US National Science Foundation grants DEB-1208719 and DEB-0933081 (both to D.S.H. and DEB-1021606 (to A.P.)), the German Centre for Integrative Biodiversity Research (iDiv) Halle-Jena-Leipzig (DFG FTZ 118) and the German Science Foundation (DFG, grant BU941/20-1) (to F.B.) and the Swedish Research Council (to A. Tunlid). This work was partly supported by the Laboratory of Excellence TULIP (ANR-10-LABX-41 and ANR-11-IDEX-0002-02). F.M. would like to acknowledge M.A. Selosse and B. Lindahl for helpful discussions. NR 24 TC 110 Z9 110 U1 35 U2 177 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 1061-4036 EI 1546-1718 J9 NAT GENET JI Nature Genet. PD APR PY 2015 VL 47 IS 4 BP 410 EP U176 DI 10.1038/ng.3223 PG 7 WC Genetics & Heredity SC Genetics & Heredity GA CE6CH UT WOS:000351922900020 PM 25706625 ER PT J AU Dennis, BS Haftel, MI Czaplewski, DA Lopez, D Blumberg, G Aksyuk, VA AF Dennis, B. S. Haftel, M. I. Czaplewski, D. A. Lopez, D. Blumberg, G. Aksyuk, V. A. TI Compact nanomechanical plasmonic phase modulators SO NATURE PHOTONICS LA English DT Article ID WAVE-GUIDES; SURFACE; INTEGRATION; PLANAR; MODES; MEMS; SLOT; SI AB Highly confined optical energy in plasmonic devices is advancing miniaturization in photonics. However, for mode sizes approaching approximate to 10 nm, the energy increasingly shifts into the metal, raising losses and hindering active phase modulation. Here, we propose a nanoelectromechanical phase-modulation principle exploiting the extraordinarily strong dependence of the phase velocity of metal-insulator-metal gap plasmons on dynamically variable gap size. We experimentally demonstrate a 23-mu m-long non-resonant modulator having a 1.5 pi rad range, with 1.7 dB excess loss at 780 nm. Analysis shows that by simultaneously decreasing the gap, length and width, an ultracompact-footprint pi rad phase modulator can be realized. This is achieved without incurring the extra loss expected for plasmons confined in a decreasing gap, because the increasing phase-modulation strength from a narrowing gap offsets rising propagation losses. Such small, high-density electrically controllable components may find applications in optical switch fabrics and reconfigurable plasmonic optics. C1 [Dennis, B. S.; Blumberg, G.] Rutgers State Univ, Dept Phys & Astron, Piscataway, NJ 08854 USA. [Haftel, M. I.] Univ Colorado, Dept Phys, Colorado Springs, CO 80918 USA. [Czaplewski, D. A.; Lopez, D.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [Aksyuk, V. A.] NIST, Ctr Nanoscale Sci & Technol, Gaithersburg, MD 20899 USA. RP Aksyuk, VA (reprint author), NIST, Ctr Nanoscale Sci & Technol, Gaithersburg, MD 20899 USA. EM vladimir.aksyuk@nist.gov OI Aksyuk, Vladimir/0000-0002-9653-4722 FU National Institute of Standards and Technology [70NANB14H259, 70NANB14H030]; Air Force Office of Scientific Research [FA9550-09-1-0698]; Center for Nanoscale Materials, a US Department of Energy, Office of Science, Office of Basic Energy Sciences User Facility [DE-AC02-06CH11357] FX The authors acknowledge support from the Measurement Science and Engineering Research Grant Program of the National Institute of Standards and Technology (award nos. 70NANB14H259 and 70NANB14H030) and the Air Force Office of Scientific Research (grant no. FA9550-09-1-0698). The authors thank A. Agrawal and H. Lezec for their technical suggestions and insightful comments on the manuscript, G. Holland and A. Band for their technical help with the experimental set-up and P. Lubik for his programming assistance. Computational support from the Department of Defense High Performance Computation Modernization project is acknowledged. This work was performed, in part, at the Center for Nanoscale Materials, a US Department of Energy, Office of Science, Office of Basic Energy Sciences User Facility (contract no. DE-AC02-06CH11357). NR 51 TC 23 Z9 23 U1 10 U2 45 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1749-4885 EI 1749-4893 J9 NAT PHOTONICS JI Nat. Photonics PD APR PY 2015 VL 9 IS 4 BP 267 EP 273 DI 10.1038/NPHOTON.2015.40 PG 7 WC Optics; Physics, Applied SC Optics; Physics GA CE8HW UT WOS:000352083700016 ER PT J AU Fletcher, LB Lee, HJ Doppner, T Galtier, E Nagler, B Heimann, P Fortmann, C LePape, S Ma, T Millot, M Pak, A Turnbull, D Chapman, DA Gericke, DO Vorberger, J White, T Gregori, G Wei, M Barbrel, B Falcone, RW Kao, CC Nuhn, H Welch, J Zastrau, U Neumayer, P Hastings, JB Glenzer, SH AF Fletcher, L. B. Lee, H. J. Doeppner, T. Galtier, E. Nagler, B. Heimann, P. Fortmann, C. LePape, S. Ma, T. Millot, M. Pak, A. Turnbull, D. Chapman, D. A. Gericke, D. O. Vorberger, J. White, T. Gregori, G. Wei, M. Barbrel, B. Falcone, R. W. Kao, C. -C. Nuhn, H. Welch, J. Zastrau, U. Neumayer, P. Hastings, J. B. Glenzer, S. H. TI Ultrabright X-ray laser scattering for dynamic warm dense matter physics SO NATURE PHOTONICS LA English DT Article ID INITIO MOLECULAR-DYNAMICS; TOTAL-ENERGY CALCULATIONS; SHOCK-COMPRESSED MATTER; AUGMENTED-WAVE METHOD; FREE-ELECTRON LASER; BASIS-SET; PRESSURES; TEMPERATURES; TRANSITION; SIMULATION AB In megabar shock waves, materials compress and undergo a phase transition to a dense charged-particle system that is dominated by strong correlations and quantum effects. This complex state, known as warm dense matter, exists in planetary interiors and many laboratory experiments (for example, during high-power laser interactions with solids or the compression phase of inertial confinement fusion implosions). Here, we apply record peak brightness X-rays at the Linac Coherent Light Source to resolve ionic interactions at atomic (angstrom) scale lengths and to determine their physical properties. Our in situ measurements characterize the compressed lattice and resolve the transition to warm dense matter, demonstrating that short-range repulsion between ions must be accounted for to obtain accurate structure factor and equation of state data. In addition, the unique properties of the X-ray laser provide plasmon spectra that yield the temperature and density with unprecedented precision at micrometre-scale resolution in dynamic compression experiments. C1 [Fletcher, L. B.; Lee, H. J.; Galtier, E.; Nagler, B.; Heimann, P.; Kao, C. -C.; Nuhn, H.; Welch, J.; Hastings, J. B.; Glenzer, S. H.] SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA. [Fletcher, L. B.; Millot, M.; Barbrel, B.; Falcone, R. W.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Doeppner, T.; LePape, S.; Ma, T.; Millot, M.; Pak, A.; Turnbull, D.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Fortmann, C.] QuantumWise AS, Plasma Phys Grp, DK-2100 Copenhagen, Denmark. [Chapman, D. A.] AWE Plc, Reading RG7 4PR, Berks, England. [Chapman, D. A.; Gericke, D. O.] Univ Warwick, Dept Phys, Ctr Fus Space & Astrophys, Coventry CV4 7AL, W Midlands, England. [Vorberger, J.] Max Planck Inst Phys Komplexer Syst, D-01187 Dresden, Germany. [White, T.; Gregori, G.] Univ Oxford, Oxford OX1 3PU, England. [Wei, M.] Gen Atom Co, San Diego, CA 92121 USA. [Zastrau, U.] Univ Jena, Inst Opt & Quantum Elect, D-07743 Jena, Germany. [Neumayer, P.] GSI Helmholtzzentrum Schwerionenforsch GmbH, D-64291 Darmstadt, Germany. RP Fletcher, LB (reprint author), SLAC Natl Accelerator Lab, 2575 Sand Hill Rd,MS 19, Menlo Pk, CA 94025 USA. EM lbfletch@slac.stanford.edu; glenzer@slac.stanford.edu RI lepape, sebastien/J-3010-2015; Vorberger, Jan/D-9162-2015; OI Millot, Marius/0000-0003-4414-3532 FU DOE Office of Science, Fusion Energy Science [SF00515, FWP 100182]; DOE Office of Basic Energy Sciences, Materials Sciences and Engineering Division [DE-AC02-76SF00515]; US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Laboratory Directed Research and Development grant [11-ERD-050]; VolkswagenStiftung FX This work was performed at the Matter at Extreme Conditions (MEC) instrument of the LCLS, supported by the DOE Office of Science, Fusion Energy Science (contract no. SF00515). This work was supported by the DOE Office of Science, Fusion Energy Science (FWP 100182) and partially supported by the DOE Office of Basic Energy Sciences, Materials Sciences and Engineering Division (contract no. DE-AC02-76SF00515). Part of this work was performed with the assistance of the US Department of Energy by Lawrence Livermore National Laboratory (contract no. DE-AC52-07NA27344). This work was also supported by a Laboratory Directed Research and Development grant (11-ERD-050) and the Peter-Paul-Ewald Fellowship of the VolkswagenStiftung. NR 48 TC 38 Z9 38 U1 9 U2 61 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1749-4885 EI 1749-4893 J9 NAT PHOTONICS JI Nat. Photonics PD APR PY 2015 VL 9 IS 4 BP 274 EP 279 DI 10.1038/NPHOTON.2015.41 PG 6 WC Optics; Physics, Applied SC Optics; Physics GA CE8HW UT WOS:000352083700017 ER PT J AU Mony, L Berger, TK Isacoff, EY AF Mony, Laetitia Berger, Thomas K. Isacoff, Ehud Y. TI A specialized molecular motion opens the Hv1 voltage-gated proton channel SO NATURE STRUCTURAL & MOLECULAR BIOLOGY LA English DT Article ID SHAKER K+ CHANNEL; SENSOR-DOMAIN; SUPEROXIDE-PRODUCTION; BIMANE FLUORESCENCE; POTASSIUM CHANNEL; CRYSTAL-STRUCTURE; CHARGE MOVEMENT; SODIUM-CHANNELS; NADPH OXIDASE; RESTING STATE AB The Hv1 proton channel is unique among voltage-gated channels for containing the pore and gate within its voltage-sensing domain. Pore opening has been proposed to include assembly of the selectivity filter between an arginine (R3) of segment S4 and an aspartate (D1) of segment S1. We determined whether gating involves motion of S1, using Ciona intestinalis Hv1. We found that channel opening is concomitant with solution access to the pore-lining face of S1, from the cytoplasm to deep inside the pore. Voltage-and patch-clamp fluorometry showed that this involves a motion of S1 relative to its surroundings. S1 motion and the S4 motion that precedes it are each influenced by residues on the other helix, thus suggesting a dynamic interaction between S1 and S4. Our findings suggest that the S1 of Hv1 has specialized to function as part of the channel's gate. C1 [Mony, Laetitia; Berger, Thomas K.; Isacoff, Ehud Y.] Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. [Berger, Thomas K.] Ctr Adv European Studies & Res, Dept Mol Sensory Syst, Bonn, Germany. [Isacoff, Ehud Y.] Univ Calif Berkeley, Helen Wills Neurosci Inst, Berkeley, CA 94720 USA. [Isacoff, Ehud Y.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Isacoff, EY (reprint author), Univ Calif Berkeley, Dept Mol & Cell Biol, 229 Stanley Hall, Berkeley, CA 94720 USA. EM ehud@berkeley.edu RI Mony, Laetitia/F-3790-2017 OI Mony, Laetitia/0000-0001-7753-6231 FU Swiss National Science Foundation (SNSF) [PA00P3_134163]; US National Institutes of Health [R01 NS35549] FX We are grateful to Y. Okamura (Osaka University) for the cDNA of CiHv1 and to Y. Okamura and A. Nakagawa (Osaka University) for very generously sharing their crystal-structure data. We would like to thank H. Otsuki-Okada (University of California, Berkeley) for help with the cloning and the members of the Isacoff laboratory for discussion. This work was supported by a postdoctoral fellowship for advanced researchers from the Swiss National Science Foundation (SNSF; PA00P3_134163 to T.K.B.) and by a grant from the US National Institutes of Health (R01 NS35549 to E.Y.I.). NR 55 TC 7 Z9 7 U1 3 U2 11 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 1545-9993 EI 1545-9985 J9 NAT STRUCT MOL BIOL JI Nat. Struct. Mol. Biol. PD APR PY 2015 VL 22 IS 4 BP 282 EP U26 DI 10.1038/nsmb.2978 PG 10 WC Biochemistry & Molecular Biology; Biophysics; Cell Biology SC Biochemistry & Molecular Biology; Biophysics; Cell Biology GA CF1OU UT WOS:000352317000005 ER PT J AU In, Y Park, JK Jeon, JM Kim, J Okabayashi, M AF In, Y. Park, J. K. Jeon, J. M. Kim, J. Okabayashi, M. TI Extremely low intrinsic non-axisymmetric field in KSTAR and its implications SO NUCLEAR FUSION LA English DT Article DE intrinsic error field; mode-locking; non-axisymmetric field; tokamak; RMP ELM suppression ID MODE; PERTURBATIONS; INSTABILITY; TOKAMAKS AB A surprisingly low level of intrinsic non-axisymmetric field (called 'error field') has been measured in KSTAR, suggesting at least an order of magnitude lower than in other major tokamaks. Specifically, the KSTAR was found to have an extremely low level of pitch resonant intrinsic error field at the m/n = 2/1 surface in the order of 10(-5) of the magnetic field at the geometric centre, instead of 10(-4) typically observed in other devices. Using a single array of in-vessel control coils (IVCCs) at the outboard midplane, the n = 1 intrinsic error field was diagnosed. Such a low level of intrinsic non-axisymmetric field as measured in KSTAR is less than or comparable to the Earth's magnetic field or a remanent field in the KSTAR plasma chamber. Considering that a very low level of n = 1 intrinsic error field (mostly associated with kink-resonance) helps the plasma to be less vulnerable to mode-locking, this might have allowed the n = 1 resonant magnetic perturbation (RMP) currents (configured to be dominantly pitch-resonant for edge localized mode (ELM) suppression) to increase without invoking a kink-resonant mode-locking, consistent with experimental observation and poloidal mode spectra calculations in KSTAR. Further clarification of the influence of the intrinsic error field in terms of a 3D structure is expected to provide a solid foundation to understand the n = 1 RMP-driven ELM suppression uniquely observed in KSTAR. C1 [In, Y.; Jeon, J. M.; Kim, J.] Natl Fus Res Inst, Taejon, South Korea. [Park, J. K.; Okabayashi, M.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP In, Y (reprint author), Natl Fus Res Inst, Taejon, South Korea. EM yongkyoon@nfri.re.kr FU Korean Ministry of Science, ICT and Future Planning FX This work was supported by the Korean Ministry of Science, ICT and Future Planning and has been under active collaboration with PPPL. The authors are grateful to Dr Y.U. Nam for density measurements, and to Dr K.I. You for equilibrium calculation supports. The author (YI) also appreciates the supportive encouragements from Dr Jin-Soo Kim, FAR-TECH. We thank all the KSTAR Team members that have led the successful operations for the multi-day experiments. NR 15 TC 13 Z9 13 U1 3 U2 7 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0029-5515 EI 1741-4326 J9 NUCL FUSION JI Nucl. Fusion PD APR PY 2015 VL 55 IS 4 AR 043004 DI 10.1088/0029-5515/55/4/043004 PG 9 WC Physics, Fluids & Plasmas SC Physics GA CE8SB UT WOS:000352113300005 ER PT J AU Spizzo, G Pucella, G Tudisco, O Zuin, M Agostini, M Alessi, E Auriemma, F Bin, W Buratti, P Carraro, L Cavazzana, R Ciaccio, G De Masi, G Esposito, B Galperti, C Garavaglia, S Granucci, G Marinucci, M Marrelli, L Martines, E Mazzotta, C Minelli, D Moro, A Puiatti, ME Scarin, P Sozzi, C Spolaore, M Schmitz, O Vianello, N White, RB AF Spizzo, G. Pucella, G. Tudisco, O. Zuin, M. Agostini, M. Alessi, E. Auriemma, F. Bin, W. Buratti, P. Carraro, L. Cavazzana, R. Ciaccio, G. De Masi, G. Esposito, B. Galperti, C. Garavaglia, S. Granucci, G. Marinucci, M. Marrelli, L. Martines, E. Mazzotta, C. Minelli, D. Moro, A. Puiatti, M. E. Scarin, P. Sozzi, C. Spolaore, M. Schmitz, O. Vianello, N. White, R. B. TI Density limit studies in the tokamak and the reversed-field pinch SO NUCLEAR FUSION LA English DT Article DE theory, design, and computerized simulation; particle orbits; two-fluid and multi-fluid plasmas; particle orbit and trajectory; plasma-material interactions; boundary layer effects ID RADIAL ELECTRIC-FIELD; RFX-MOD; PARTICLE-TRANSPORT; ASDEX UPGRADE; PLASMA; MARFE; CONFINEMENT; DISCHARGES; TURBULENCE AB The ITER scenarios and the project of DEMO involve stable operation above the Greenwald density, which justifies efforts to understand and overcome the density limit, this last observed as a disruptive termination of tokamak discharges and a thermal crash (with no disruption) of stellarator and reversed-field pinch (RFP) ones. Both in the tokamak and the RFP, new findings show that the high density limit is not governed by a unique, theoretically well-determined physical phenomenon, but by a combination of complex mechanisms involving two-fluid effects, electrostatic plasma response to magnetic islands and plasma-wall interaction. In this paper we will show new evidence challenging the traditional picture of the 'Greenwald limit', in particular with reference to the role of thermal instabilities and the edge radial electric field Er in the development of this limit. C1 [Spizzo, G.; Zuin, M.; Agostini, M.; Auriemma, F.; Carraro, L.; Cavazzana, R.; Ciaccio, G.; De Masi, G.; Marrelli, L.; Martines, E.; Puiatti, M. E.; Scarin, P.; Spolaore, M.; Vianello, N.] Consorzio RFX, Padua, Italy. [Pucella, G.; Tudisco, O.; Buratti, P.; Esposito, B.; Marinucci, M.; Mazzotta, C.] ENEA, Ctr Ric Frascati, Rome, Italy. [Alessi, E.; Bin, W.; Galperti, C.; Garavaglia, S.; Granucci, G.; Minelli, D.; Moro, A.; Sozzi, C.] CNR, IFP, I-20125 Milan, Italy. [Schmitz, O.] Univ Wisconsin, Dept Engn Phys, Madison, WI USA. [White, R. B.] Princeton Univ, Plasma Phys Lab, Princeton, NJ 08543 USA. RP Spizzo, G (reprint author), Consorzio RFX, Padua, Italy. EM gianluca.spizzo@igi.cnr.it RI Spizzo, Gianluca/B-7075-2009; Martines, Emilio/B-1418-2009; Vianello, Nicola/B-6323-2008; White, Roscoe/D-1773-2013; Marrelli, Lionello/G-4451-2013; OI Spizzo, Gianluca/0000-0001-8586-2168; Martines, Emilio/0000-0002-4181-2959; Vianello, Nicola/0000-0003-4401-5346; White, Roscoe/0000-0002-4239-2685; Marrelli, Lionello/0000-0001-5370-080X; GARAVAGLIA, SAUL FRANCESCO/0000-0002-8433-1901 FU European Union [633053, CfP-WP14-ER-01/ENEA RFX-01] FX The authors would like to thank Dr David Terranova for calculating the toroidal equilibrium in the NCT code, and Dr Samuele Dal Bello, chief engineer in charge of the RFX-mod machine operation. This work has received funding from the European Union's Horizon 2020 research and innovation programme under grant agreement number 633053 as Enabling Research Project CfP-WP14-ER-01/ENEA RFX-01. NR 71 TC 3 Z9 3 U1 1 U2 24 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0029-5515 EI 1741-4326 J9 NUCL FUSION JI Nucl. Fusion PD APR PY 2015 VL 55 IS 4 AR 043007 DI 10.1088/0029-5515/55/4/043007 PG 10 WC Physics, Fluids & Plasmas SC Physics GA CE8SB UT WOS:000352113300008 ER PT J AU Prasciolu, M Leontowich, AFG Krzywinski, J Andrejczuk, A Chapman, HN Bajt, S AF Prasciolu, M. Leontowich, A. F. G. Krzywinski, J. Andrejczuk, A. Chapman, H. N. Bajt, S. TI Fabrication of wedged multilayer Laue lenses SO OPTICAL MATERIALS EXPRESS LA English DT Article ID FREE-ELECTRON LASER; ZONE PLATES; OPTICS AB We present a new method to fabricate wedged multilayer Laue lenses, in which the angle of diffracting layers smoothly varies in the lens to achieve optimum diffracting efficiency across the entire pupil of the lens. This was achieved by depositing a multilayer onto a flat substrate placed in the penumbra of a straight-edge mask. The distance between the mask and the substrate was calibrated and the multilayer Laue lens was cut in a position where the varying layer thickness and the varying layer tilt simultaneously satisfy the Fresnel zone plate condition and Bragg's law for all layers in the stack. This method can be used to extend the achievable numerical aperture of multilayer Laue lenses to reach considerably smaller focal spot sizes than achievable with lenses composed of parallel layers. (C) 2015 Optical Society of America C1 [Prasciolu, M.; Leontowich, A. F. G.; Bajt, S.] DESY, Photon Sci, D-22607 Hamburg, Germany. [Krzywinski, J.] SLAC, Menlo Pk, CA 94025 USA. [Andrejczuk, A.] Univ Bialystok, Fac Phys, PL-15245 Bialystok, Poland. [Chapman, H. N.] DESY, Ctr Free Electron Laser Sci, D-22607 Hamburg, Germany. [Chapman, H. N.] Univ Hamburg, D-22761 Hamburg, Germany. RP Prasciolu, M (reprint author), DESY, Photon Sci, Notkestr 85, D-22607 Hamburg, Germany. EM sasa.bajt@desy.de RI Bajt, Sasa/G-2228-2010; Andrejczuk, Andrzej/B-4031-2013; Chapman, Henry/G-2153-2010 OI Andrejczuk, Andrzej/0000-0001-9736-6321; Chapman, Henry/0000-0002-4655-1743 FU Helmholtz Association FX We acknowledge discussions with Andrew Morgan of DESY and would like to thank Sabrina Bolmer and Andrej Berg (DESY) for technical assistance. Funding for this project was provided by the Helmholtz Association through program-oriented funds. NR 23 TC 4 Z9 4 U1 0 U2 11 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 2159-3930 J9 OPT MATER EXPRESS JI Opt. Mater. Express PD APR 1 PY 2015 VL 5 IS 4 BP 748 EP 755 DI 10.1364/OME.5.000748 PG 8 WC Materials Science, Multidisciplinary; Optics SC Materials Science; Optics GA CF1GS UT WOS:000352293100009 ER PT J AU Schaibley, JR Karin, T Yu, HY Ross, JS Rivera, P Jones, AM Scott, ME Yan, JQ Mandrus, DG Yao, W Fu, KM Xu, XD AF Schaibley, John R. Karin, Todd Yu, Hongyi Ross, Jason S. Rivera, Pasqual Jones, Aaron M. Scott, Marie E. Yan, Jiaqiang Mandrus, D. G. Yao, Wang Fu, Kai-Mei Xu, Xiaodong TI Population Pulsation Resonances of Excitons in Monolayer MoSe2 with Sub-1 mu eV Linewidths SO PHYSICAL REVIEW LETTERS LA English DT Article ID QUANTUM-WELL STRUCTURES; SINGLE-LAYER MOS2; MOLYBDENUM-DISULFIDE; VALLEY POLARIZATION; BLOCH EQUATIONS; SEMICONDUCTOR; SPECTROSCOPY; STATES AB Monolayer transition metal dichalcogenides, a new class of atomically thin semiconductors, possess optically coupled 2D valley excitons. The nature of exciton relaxation in these systems is currently poorly understood. Here, we investigate exciton relaxation in monolayer MoSe2 using polarization-resolved coherent nonlinear optical spectroscopy with high spectral resolution. We report strikingly narrow population pulsation resonances with two different characteristic linewidths of 1 and <0.2 mu eV at low temperature. These linewidths are more than 3 orders of magnitude narrower than the photoluminescence and absorption linewidth, and indicate that a component of the exciton relaxation dynamics occurs on time scales longer than 1 ns. The ultranarrow resonance (<0.2 mu eV) emerges with increasing excitation intensity, and implies the existence of a long-lived state whose lifetime exceeds 6 ns. C1 [Schaibley, John R.; Karin, Todd; Rivera, Pasqual; Jones, Aaron M.; Scott, Marie E.; Fu, Kai-Mei; Xu, Xiaodong] Univ Washington, Dept Phys, Seattle, WA 98195 USA. [Yu, Hongyi; Yao, Wang] Univ Hong Kong, Dept Phys, Hong Kong, Hong Kong, Peoples R China. [Yu, Hongyi; Yao, Wang] Univ Hong Kong, Ctr Theoret & Computat Phys, Hong Kong, Hong Kong, Peoples R China. [Ross, Jason S.; Xu, Xiaodong] Univ Washington, Dept Mat Sci & Engn, Seattle, WA 98195 USA. [Yan, Jiaqiang; Mandrus, D. G.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Yan, Jiaqiang; Mandrus, D. G.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Mandrus, D. G.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Fu, Kai-Mei] Univ Washington, Dept Elect Engn, Seattle, WA 98195 USA. RP Xu, XD (reprint author), Univ Washington, Dept Phys, Seattle, WA 98195 USA. EM xuxd@uw.edu RI Yao, Wang/C-1353-2008 OI Yao, Wang/0000-0003-2883-4528 FU DOE BES [DE-SC0008145, DE-SC0012509]; NSF Grant [DGE-0718124, DGE-1256082, 1150647]; Croucher Foundation (Croucher Innovation Award); RGC of Hong Kong [HKU705513P, HKU9/CRF/13G]; US DOE, BES, Materials Sciences and Engineering Division; Cottrell Scholar Award FX We would like to acknowledge useful discussions with D. G. Steel, H. Wang, and Xiaoqin Li. This work is mainly supported by the DOE BES (No. DE-SC0008145 and No. DE-SC0012509). A. M. J. is partially supported by NSF Grant No. DGE-0718124. J. R. is partially supported by NSF Grant No. DGE-1256082. T. K. and K. F. were supported by NSF Grant No. DGE-1256082 and NSF Grant No. 1150647. H. Y. and W. Y. are supported by the Croucher Foundation (Croucher Innovation Award), and the RGC of Hong Kong (HKU705513P, HKU9/CRF/13G). J. Y. and D. M. are supported by US DOE, BES, Materials Sciences and Engineering Division. X. X. thanks the support from the Cottrell Scholar Award. Device fabrication was performed at the University of Washington Nanofabrication Facility and Nanotech User Facility, both members of the NSF National Nanotechnology Infrastructure Network. NR 40 TC 11 Z9 11 U1 4 U2 57 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 1 PY 2015 VL 114 IS 13 AR 137402 DI 10.1103/PhysRevLett.114.137402 PG 6 WC Physics, Multidisciplinary SC Physics GA CE8ZK UT WOS:000352132600007 PM 25884137 ER PT J AU Trumbo, JL Zhang, BH Stewart, CN AF Trumbo, Jennifer Lynn Zhang, Baohong Stewart, Charles Neal, Jr. TI Manipulating microRNAs for improved biomass and biofuels from plant feedstocks SO PLANT BIOTECHNOLOGY JOURNAL LA English DT Review DE gene; expression; development; stress; recalcitrance; characterization ID STRESS-RESPONSIVE MICRORNAS; SPL TRANSCRIPTION FACTORS; ARABIDOPSIS-THALIANA; BRACHYPODIUM-DISTACHYON; EXPRESSION ANALYSIS; SMALL RNAS; POPULUS-TRICHOCARPA; FLOWER DEVELOPMENT; DROUGHT STRESS; SWEET SORGHUM AB Petroleum-based fuels are nonrenewable and unsustainable. Renewable sources of energy, such as lignocellulosic biofuels and plant metabolite-based drop-in fuels, can offset fossil fuel use and reverse environmental degradation through carbon sequestration. Despite these benefits, the lignocellulosic biofuels industry still faces many challenges, including the availability of economically viable crop plants. Cell wall recalcitrance is a major economic barrier for lignocellulosic biofuels production from biomass crops. Sustainability and biomass yield are two additional, yet interrelated, foci for biomass crop improvement. Many scientists are searching for solutions to these problems within biomass crop genomes. MicroRNAs (miRNAs) are involved in almost all biological and metabolic process in plants including plant development, cell wall biosynthesis and plant stress responses. Because of the broad functions of their targets (e.g. auxin response factors), the alteration of plant miRNA expression often results in pleiotropic effects. A specific miRNA usually regulates a biologically relevant bioenergy trait. For example, relatively low miR156 overexpression leads to a transgenic feedstock with enhanced biomass and decreased recalcitrance. miRNAs have been overexpressed in dedicated bioenergy feedstocks such as poplar and switchgrass yielding promising results for lignin reduction, increased plant biomass, the timing of flowering and response to harsh environments. In this review, we present the status of miRNA-related research in several major biofuel crops and relevant model plants. We critically assess published research and suggest next steps for miRNA manipulation in feedstocks for increased biomass and sustainability for biofuels and bioproducts. C1 [Trumbo, Jennifer Lynn; Stewart, Charles Neal, Jr.] Univ Tennessee, Bredesen Ctr Interdisciplinary Res & Grad Educ, Knoxville, TN 37996 USA. [Trumbo, Jennifer Lynn; Stewart, Charles Neal, Jr.] Univ Tennessee, Dept Plant Sci, Knoxville, TN USA. [Zhang, Baohong] East Carolina State Univ, Dept Biol, Greenville, NC USA. [Stewart, Charles Neal, Jr.] Oak Ridge Natl Lab, BioEnergy Sci Ctr, Oak Ridge, TN USA. RP Stewart, CN (reprint author), Univ Tennessee, Bredesen Ctr Interdisciplinary Res & Grad Educ, Knoxville, TN 37996 USA. EM nealstewart@utk.edu RI Zhou, Man/S-4256-2016 FU University of Tennessee AgResearch, Racheff Endowment; Bredesen Center for Interdisciplinary Research and Graduate Education, East Carolina University; BioEnergy Science Center, which is a U.S. Department of Energy Bioenergy Research Center - Office of Biological and Environmental Research in the DOE Office of Science FX We thank the reviewers for their valuable comments, which have greatly improved the manuscript. We appreciate funding from the University of Tennessee AgResearch, Racheff Endowment, the Bredesen Center for Interdisciplinary Research and Graduate Education, East Carolina University, and also the BioEnergy Science Center, which is a U.S. Department of Energy Bioenergy Research Center supported by the Office of Biological and Environmental Research in the DOE Office of Science. NR 167 TC 2 Z9 2 U1 7 U2 53 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1467-7644 EI 1467-7652 J9 PLANT BIOTECHNOL J JI Plant Biotechnol. J. PD APR PY 2015 VL 13 IS 3 BP 337 EP 354 DI 10.1111/pbi.12319 PG 18 WC Biotechnology & Applied Microbiology; Plant Sciences SC Biotechnology & Applied Microbiology; Plant Sciences GA CF5GX UT WOS:000352586600007 PM 25707745 ER PT J AU Park, S Lee, CM Doherty, CJ Gilmour, SJ Kim, Y Thomashow, MF AF Park, Sunchung Lee, Chin-Mei Doherty, Colleen J. Gilmour, Sarah J. Kim, YongSig Thomashow, Michael F. TI Regulation of the Arabidopsis CBF regulon by a complex low-temperature regulatory network SO PLANT JOURNAL LA English DT Article DE CBF regulatory pathway; low-temperature regulatory network; freezing tolerance; Arabidopsis thaliana ID COLD RESPONSE PATHWAY; FALSE DISCOVERY RATE; FREEZING TOLERANCE; GENE-EXPRESSION; TRANSCRIPTION FACTORS; CIRCADIAN CLOCK; PROBE LEVEL; ACCLIMATION; DOMAIN; THALIANA AB Exposure of Arabidopsis thaliana plants to low non-freezing temperatures results in an increase in freezing tolerance that involves action of the C-repeat binding factor (CBF) regulatory pathway. CBF1, CBF2 and CBF3, which are rapidly induced in response to low temperature, encode closely related AP2/ERF DNA-binding proteins that recognize the C-repeat (CRT)/dehydration-responsive element (DRE) DNA regulatory element present in the promoters of CBF-regulated genes. The CBF transcription factors alter the expression of more than 100 genes, known as the CBF regulon, which contribute to an increase in freezing tolerance. In this study, we investigated the extent to which cold induction of the CBF regulon is regulated by transcription factors other than CBF1, CBF2 and CBF3, and whether freezing tolerance is dependent on a functional CBF-CRT/DRE regulatory module. To address these issues we generated transgenic lines that constitutively overexpressed a truncated version of CBF2 that had dominant negative effects on the function of the CBF-CRT/DRE regulatory module, and 11 transcription factors encoded by genes that were rapidly cold-induced in parallel with the first-wave' CBF genes, and determined the effects that overexpressing these proteins had on global gene expression and freezing tolerance. Our results indicate that cold regulation of the CBF regulon involves extensive co-regulation by other first-wave transcription factors; that the low-temperature regulatory network beyond the CBF pathway is complex and highly interconnected; and that the increase in freezing tolerance that occurs with cold acclimation is only partially dependent on the CBF-CRT/DRE regulatory module. Significance Statement Evidence is presented indicating that cold-regulation of the CBF regulon, which includes genes that impart freezing tolerance, is more complex than previously thought, involving extensive co-regulation by CBF1, CBF2, CBF3 and other first-wave' transcription factors encoded by genes induced in parallel with the CBF genes. C1 [Park, Sunchung; Lee, Chin-Mei; Doherty, Colleen J.; Gilmour, Sarah J.; Kim, YongSig; Thomashow, Michael F.] Michigan State Univ, MSU DOE Plant Res Lab, E Lansing, MI 48824 USA. [Lee, Chin-Mei; Doherty, Colleen J.] Michigan State Univ, Dept Biochem, E Lansing, MI 48824 USA. [Thomashow, Michael F.] Michigan State Univ, Dept Plant Soil & Microbial Sci, E Lansing, MI 48824 USA. RP Thomashow, MF (reprint author), Michigan State Univ, MSU DOE Plant Res Lab, E Lansing, MI 48824 USA. EM thomash6@msu.edu FU NSF [DBI 0110124, DBI 0701709]; Department of Energy [DE-FG02-91ER20021] FX We thank Susan Myers, Laura Stewart, Megan Sargent, Kelly McRay and Catherine Le for excellent technical help in conducting many of the experiments. We are also grateful to one of the anonymous referees for insightful comments that significantly improved the manuscript, and to Annette Thelen and Jeff Landgraf of the MSU Research Technology Support Facility for help with the Affymetrix GeneChip experiments. This research was primarily supported by grants to MFT from the NSF Plant Genome Project (DBI 0110124 and DBI 0701709) with infrastructure support from the Department of Energy (DE-FG02-91ER20021) and MSU AgBioResearch. NR 48 TC 40 Z9 48 U1 11 U2 93 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0960-7412 EI 1365-313X J9 PLANT J JI Plant J. PD APR PY 2015 VL 82 IS 2 BP 193 EP 207 DI 10.1111/tpj.12796 PG 15 WC Plant Sciences SC Plant Sciences GA CF5FG UT WOS:000352581600002 PM 25736223 ER PT J AU Kim, SJ Held, MA Zemelis, S Wilkerson, C Brandizzi, F AF Kim, Sang-Jin Held, Michael A. Zemelis, Starla Wilkerson, Curtis Brandizzi, Federica TI CGR2 and CGR3 have critical overlapping roles in pectin methylesterification and plant growth in Arabidopsis thaliana SO PLANT JOURNAL LA English DT Article DE pectin; methyltransferases; Golgi; methylesterification; Arabidopsis; cell wall ID POLLEN-TUBE GROWTH; BIOSYNTHETIC HOMOGALACTURONAN GALACTURONOSYLTRANSFERASE; GOLGI-LOCALIZED PROTEIN; CELL-WALL; PUTATIVE METHYLTRANSFERASE; METHYLESTERASE GENE; FLOWERING PLANTS; APPARATUS; ADHESION; CLONING AB Pectins are critical polysaccharides of the cell wall that are involved in key aspects of a plant's life, including cell-wall stiffness, cell-to-cell adhesion, and mechanical strength. Pectins undergo methylesterification, which affects their cellular roles. Pectin methyltransferases are believed to methylesterify pectins in the Golgi, but little is known about their identity. To date, there is only circumstantial evidence to support a role for QUASIMODO2 (QUA2)-like proteins and an unrelated plant-specific protein, cotton Golgi-related 3 (CGR3), in pectin methylesterification. To add to the knowledge of pectin biosynthesis, here we characterized a close homolog of CGR3, named CGR2, and evaluated the effect of loss-of-function mutants and over-expression lines of CGR2 and CGR3 in planta. Our results show that, similar to CGR3, CGR2 is a Golgi protein whose enzyme active site is located in the Golgi lumen where pectin methylesterification occurs. Through phenotypical analyses, we also established that simultaneous loss of CGR2 and CGR3 causes severe defects in plant growth and development, supporting critical but overlapping functional roles of these proteins. Qualitative and quantitative cell-wall analytical assays of the double knockout mutant demonstrated reduced levels of pectin methylesterification, coupled with decreased microsomal pectin methyltransferase activity. Conversely, CGR2 and CGR3 over-expression lines have markedly opposite phenotypes to the double knockout mutant, with increased cell-wall methylesterification levels and microsomal pectin methyltransferase activity. Based on these findings, we propose that CGR2 and CGR3 are critical proteins in plant growth and development that act redundantly in pectin methylesterification in the Golgi apparatus. Significance Statement Pectins are essential polysaccharides of the cell wall but only a handful of proteins involved in their biosynthesis have been identified to date. Pectins are secreted as highly methylesterified polymers but the enzymes involved in methylesterification processes are largely unknown. In this work we report on the characterization of two proteins for which we show largely overlapping roles in pectin methylesterification in the model plant species Arabidopsis thaliana. C1 [Kim, Sang-Jin; Zemelis, Starla; Wilkerson, Curtis; Brandizzi, Federica] Michigan State Univ, Great Lakes Bioenergy Res Ctr, E Lansing, MI 48824 USA. [Held, Michael A.] Ohio Univ, Dept Chem & Biochem, Athens, OH 45701 USA. [Wilkerson, Curtis] Michigan State Univ, Dept Biochem & Mol Biol, E Lansing, MI 48824 USA. [Brandizzi, Federica] Michigan State Univ, Dept Energy Plant Res Lab, E Lansing, MI 48824 USA. RP Brandizzi, F (reprint author), Michigan State Univ, Great Lakes Bioenergy Res Ctr, E Lansing, MI 48824 USA. EM fb@msu.edu FU Department of Energy Great Lakes Bioenergy Research Center (Department of Energy Office of Science) [BER DE-FC02-07ER64494]; Chemical Sciences, Geosciences and Biosciences Division, Office of Basic Energy Sciences, US Department of Energy [DE-FG02-91ER20021] FX We would like to thank Cliff Foster from the Great Lakes Bioenergy Research Center Cell-Wall Analytical Platform, Linda Danhof from the Great Lakes Bioenergy Research Center Arabidopsis Service Center, Alicia Pastor and Melinda Frame for the immunocytochemical analysis, and Jordan Bushman for genotyping the cgr2-1 cgr3-1 mutant. We acknowledge support from the Department of Energy Great Lakes Bioenergy Research Center (Department of Energy Office of Science, BER DE-FC02-07ER64494) and the Chemical Sciences, Geosciences and Biosciences Division, Office of Basic Energy Sciences, US Department of Energy (award number DE-FG02-91ER20021). NR 52 TC 10 Z9 10 U1 4 U2 15 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0960-7412 EI 1365-313X J9 PLANT J JI Plant J. PD APR PY 2015 VL 82 IS 2 BP 208 EP 220 DI 10.1111/tpj.12802 PG 13 WC Plant Sciences SC Plant Sciences GA CF5FG UT WOS:000352581600003 PM 25704846 ER PT J AU Dent, RM Sharifi, MN Malnoe, A Haglund, C Calderon, RH Wakao, S Niyogi, KK AF Dent, Rachel M. Sharifi, Marina N. Malnoe, Alizee Haglund, Cat Calderon, Robert H. Wakao, Setsuko Niyogi, Krishna K. TI Large-scale insertional mutagenesis of Chlamydomonas supports phylogenomic functional prediction of photosynthetic genes and analysis of classical acetate-requiring mutants SO PLANT JOURNAL LA English DT Article DE Chlamydomonas reinhardtii; photosynthesis; oxidative stress; genomics; insertion mutant; GreenCut; PDH2 ID ARABIDOPSIS-THALIANA; REVERSE GENETICS; REINHARDTII; DNA; GENOMICS; PROTEINS; ACCUMULATION; CHLOROPLAST; EXPRESSION; COMPLEX AB Chlamydomonas reinhardtii is a unicellular green alga that is a key model organism in the study of photosynthesis and oxidative stress. Here we describe the large-scale generation of a population of insertional mutants that have been screened for phenotypes related to photosynthesis and the isolation of 459 flanking sequence tags from 439 mutants. Recent phylogenomic analysis has identified a core set of genes, named GreenCut2, that are conserved in green algae and plants. Many of these genes are likely to be central to the process of photosynthesis, and they are over-represented by sixfold among the screened insertional mutants, with insertion events isolated in or adjacent to 68 of 597 GreenCut2 genes. This enrichment thus provides experimental support for functional assignments based on previous bioinformatic analysis. To illustrate one of the uses of the population, a candidate gene approach based on genome position of the flanking sequence of the insertional mutant CAL027_01_20 was used to identify the molecular basis of the classical C.reinhardtii mutation ac17. These mutations were shown to affect the gene PDH2, which encodes a subunit of the plastid pyruvate dehydrogenase complex. The mutants and associated flanking sequence data described here are publicly available to the research community, and they represent one of the largest phenotyped collections of algal insertional mutants to date. Significance Statement We describe the large-scale isolation of flanking sequence tags from Chlamydomonas reinhardtii insertional mutants that were screened for defects in photoautotrophic growth. Insertion sites were found preferentially in genes that, based on phylogenomic analysis, are likely to encode photosynthesis-related proteins, as well as in several genes related to acetyl-CoA metabolism. C1 [Dent, Rachel M.; Sharifi, Marina N.; Malnoe, Alizee; Haglund, Cat; Calderon, Robert H.; Wakao, Setsuko; Niyogi, Krishna K.] Univ Calif Berkeley, Howard Hughes Med Inst, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA. [Dent, Rachel M.; Malnoe, Alizee; Niyogi, Krishna K.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Niyogi, KK (reprint author), Univ Calif Berkeley, Howard Hughes Med Inst, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA. EM niyogi@berkeley.edu FU National Science Foundation [MCB-0235878]; Simon Family Fund; Philomathia Foundation; US Department of Energy, Office of Science, Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division [449B]; Gordon and Betty Moore Foundation [GBMF3070] FX We thank Preeti Dave, Zoe Doyle, Monica Chen, Victoria Chu, Jason Liu and Bing Xia for technical assistance during the generation and screening of insertional mutants, Brian Chin for construction of pBC1, and Weihong Yan and Sabeeha Merchant for uploading the flanking sequence data to the UCLA MCDB/MBI UCSC Genome Browser. This research was supported in part by the National Science Foundation (grant no. MCB-0235878), the Simon Family Fund, and the Philomathia Foundation. The analysis of insertion sites by RMD and AM was supported by the US Department of Energy, Office of Science, Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division under fieldwork proposal 449B. KKN is an investigator of the Howard Hughes Medical Institute and the Gordon and Betty Moore Foundation (through grant GBMF3070). NR 66 TC 9 Z9 9 U1 0 U2 14 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0960-7412 EI 1365-313X J9 PLANT J JI Plant J. PD APR PY 2015 VL 82 IS 2 BP 337 EP 351 DI 10.1111/tpj.12806 PG 15 WC Plant Sciences SC Plant Sciences GA CF5FG UT WOS:000352581600013 PM 25711437 ER PT J AU Shi, YJ Lyu, B Wang, FD Bitter, M Hill, KW Ye, MY AF Shi Yuejiang Lyu Bo Wang Fudi Bitter, M. Hill, K. W. Ye Minyou TI A New Method for Measurements of the Poloidal Rotation Velocities and Wavelength Calibration of X-ray Imaging Crystal Spectrometer in Magnetic Fusion Devices SO PLASMA SCIENCE & TECHNOLOGY LA English DT Article DE X-ray imaging crystal spectrometer; wavelength calibration; poloidal rotation velocity ID TEMPERATURE; TOKAMAKS AB A new simple method is presented for the wavelength calibration and measurement of poloidal rotation velocities with X-ray imaging crystal spectrometer (XICS) in magnetic fusion devices. In this method, the toroidal rotation of plasma is applied for high precise alignment and wavelength calibration of the poloidal XICS. The measurement threshold of poloidal rotation velocity can be lowered to 1-3 km/s with this method. C1 [Shi Yuejiang; Ye Minyou] Univ Sci & Technol China, Hefei 230026, Peoples R China. [Lyu Bo; Wang Fudi] Chinese Acad Sci, Inst Plasma Phys, Hefei 230031, Peoples R China. [Bitter, M.; Hill, K. W.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Shi, YJ (reprint author), Univ Sci & Technol China, Hefei 230026, Peoples R China. FU National Natural Science Foundation of China [11175208, 11305212, 11405212]; National Magnetic Confinement Fusion Science Program of China [2013GB112004]; JSPS-NRF-NSFC A3 Foresight Program in Plasma Physics [11261140328] FX supported by National Natural Science Foundation of China (Nos. 11175208, 11305212 and 11405212), the National Magnetic Confinement Fusion Science Program of China (No. 2013GB112004), and JSPS-NRF-NSFC A3 Foresight Program in Plasma Physics (No. 11261140328) NR 15 TC 1 Z9 1 U1 3 U2 16 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1009-0630 J9 PLASMA SCI TECHNOL JI Plasma Sci. Technol. PD APR PY 2015 VL 17 IS 4 BP 265 EP 267 DI 10.1088/1009-0630/17/4/01 PG 3 WC Physics, Fluids & Plasmas SC Physics GA CE8YV UT WOS:000352131000001 ER PT J AU Cheng, MN Lu, CS Liu, YG AF Cheng, Muning Lu, Chunsong Liu, Yangang TI Variation in entrainment rate and relationship with cloud microphysical properties on the scale of 5 m SO SCIENCE BULLETIN LA English DT Article DE Entrainment rate; Shallow cumulus; Aircraft observations; Probability density functions; Microphysics ID TRADE-WIND CUMULUS; SHALLOW CUMULUS; WEATHER-MODIFICATION; SIZE DISTRIBUTIONS; MIXING PROCESSES; DIURNAL CYCLE; PARAMETERIZATION; CONVECTION; AEROSOL; PHYSICS AB This paper focuses on the variability in entrainment rate in individual cumulus clouds using the entrainment rate estimated on the scale of 5 m in 186 shallow cumulus clouds from eight aircraft flights, using in situ observations from the RACORO field campaign (the routine atmospheric radiation measurement aerial facility clouds with low optical water depths optical radiative observations) over the atmospheric radiation measurement Southern Great Plains site, USA. The result shows that the mean entrainment rate of all the 186 clouds systematically decreases from the cloud edge to the cloud center. Further analysis of the fluctuation of entrainment rate shows that the probability density function of entrainment rate in each flight can be fitted by the lognormal, gamma, or Weibull distributions virtually equally well, with the Weibull distribution being the best. The parameter "standard deviation" in the lognormal distribution is weakly negatively correlated, and the other parameters in the three distributions are positively correlated with relative humidity in the entrained dry air and dilution effect, respectively. Entrainment rate is negatively correlated with droplet concentration, droplet size, and liquid water content, but positively correlated with relative dispersion. The effect of entrainment rate on the spectral shape of cloud droplet size distribution is examined and linked to the systems theory on the cloud droplet size distribution. C1 [Cheng, Muning] Jiangsu Prov Acad Environm Sci, Jiangsu Prov Key Lab Environm Engn, Nanjing 210036, Jiangsu, Peoples R China. [Cheng, Muning; Lu, Chunsong] Chinese Acad Meteorol Sci, State Key Lab Severe Weather, Beijing 100081, Peoples R China. [Lu, Chunsong] Nanjing Univ Informat Sci & Technol, Collaborat Innovat Ctr Forecast & Evaluat Meteoro, Key Lab Meteorol Disaster,Minist Educ, Key Lab Aerosol Cloud Precipitat,China Meteorol A, Nanjing 210044, Jiangsu, Peoples R China. [Liu, Yangang] Brookhaven Natl Lab, Biol Environm & Climate Sci Dept, Upton, NY 11973 USA. RP Lu, CS (reprint author), Nanjing Univ Informat Sci & Technol, Collaborat Innovat Ctr Forecast & Evaluat Meteoro, Key Lab Meteorol Disaster,Minist Educ, Key Lab Aerosol Cloud Precipitat,China Meteorol A, Nanjing 210044, Jiangsu, Peoples R China. EM clu@nuist.edu.cn RI Liu, Yangang/H-6154-2011; Lu, Chunsong/K-7124-2013 OI Lu, Chunsong/0000-0002-8967-0371 FU National Natural Science Foundation of China [41305120, 91337215]; Research Foundation for Environmental Protection of Jiangsu Province [2013042]; Natural Science Foundation of Jiangsu Province, China [BK20130988]; Specialized Research Foundation for the Doctoral Program of Higher Education [20133228120002]; Natural Science Foundation of the Higher Education Institutions of Jiangsu Province, China [13KJB170014]; China Meteorological Administration Special Public Welfare Research Foundation [GYHY201406007]; Open Funding from State Key Laboratory of Severe Weather [2013LASW-B06]; Open Funding from Key Laboratory of Meteorological Disaster of Ministry of Education, China [KLME1305]; Qing Lan Project; Priority Academic Program Development of Jiangsu Higher Education Institutions; US Department of Energy's (DOE) Earth System Modeling (ESM) program via the FASTER project; Atmospheric System Research (ASR) Program FX This work was supported by the National Natural Science Foundation of China (41305120, 91337215); the Research Foundation for Environmental Protection of Jiangsu Province (2013042); the Natural Science Foundation of Jiangsu Province, China (BK20130988); the Specialized Research Foundation for the Doctoral Program of Higher Education (20133228120002); the Natural Science Foundation of the Higher Education Institutions of Jiangsu Province, China (13KJB170014); China Meteorological Administration Special Public Welfare Research Foundation (GYHY201406007); the Open Funding from State Key Laboratory of Severe Weather (2013LASW-B06); the Open Funding from Key Laboratory of Meteorological Disaster of Ministry of Education, China (KLME1305); the Qing Lan Project; a Project Funded by the Priority Academic Program Development of Jiangsu Higher Education Institutions; the US Department of Energy's (DOE) Earth System Modeling (ESM) program via the FASTER project (www.bnl.gov/faster) and Atmospheric System Research (ASR) Program. Data used in this article are from the US Department of Energy ARM Aerial Facility's RACORO Campaign. We appreciate the helpful discussions about the data with Drs. Andrew Vogelmann, Gunnar Senum, Seong Soo Yum, Haf Jonsson, Greg McFarquhar, and Hee-Jung Yang. We also appreciate Dr. Glenn Diskin's help on the data from DLH. NR 58 TC 1 Z9 1 U1 2 U2 8 PU SCIENCE PRESS PI BEIJING PA 16 DONGHUANGCHENGGEN NORTH ST, BEIJING 100717, PEOPLES R CHINA SN 2095-9273 EI 2095-9281 J9 SCI BULL JI Sci. Bull. PD APR PY 2015 VL 60 IS 7 BP 707 EP 717 DI 10.1007/s11434-015-0737-8 PG 11 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CF0FG UT WOS:000352217800006 ER PT J AU Tu, QC Yuan, MT He, ZL Deng, Y Xue, K Wu, LY Hobbie, SE Reich, PB Zhou, JZ AF Tu, Qichao Yuan, Mengting He, Zhili Deng, Ye Xue, Kai Wu, Liyou Hobbie, Sarah E. Reich, Peter B. Zhou, Jizhong TI Fungal Communities Respond to Long-Term CO2 Elevation by Community Reassembly SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID ARBUSCULAR MYCORRHIZAL FUNGI; SOIL MICROBIAL COMMUNITIES; ATMOSPHERIC CO2; CARBON-DIOXIDE; NITROGEN-FERTILIZATION; ECOSYSTEM RESPONSES; FOREST PRODUCTIVITY; NETWORK ANALYSIS; DIVERSITY; GRASSLAND AB Fungal communities play a major role as decomposers in the Earth's ecosystems. Their community-level responses to elevated CO2 (eCO(2)), one of the major global change factors impacting ecosystems, are not well understood. Using 28S rRNA gene amplicon sequencing and co-occurrence ecological network approaches, we analyzed the response of soil fungal communities in the BioCON (biodiversity, CO2, and N deposition) experimental site in Minnesota, USA, in which a grassland ecosystem has been exposed to eCO(2) for 12 years. Long-term eCO(2) did not significantly change the overall fungal community structure and species richness, but significantly increased community evenness and diversity. The relative abundances of 119 operational taxonomic units (OTU; similar to 27% of the total captured sequences) were changed significantly. Significantly changed OTU under eCO(2) were associated with decreased overall relative abundance of Ascomycota, but increased relative abundance of Basidiomycota. Co-occurrence ecological network analysis indicated that eCO(2) increased fungal community network complexity, as evidenced by higher intermodular and intramodular connectivity and shorter geodesic distance. In contrast, decreased connections for dominant fungal species were observed in the eCO(2) network. Community reassembly of unrelated fungal species into highly connected dense modules was observed. Such changes in the co-occurrence network topology were significantly associated with altered soil and plant properties under eCO(2), especially with increased plant biomass and NH4+ availability. This study provided novel insights into how eCO(2) shapes soil fungal communities in grassland ecosystems. C1 [Tu, Qichao; Yuan, Mengting; He, Zhili; Xue, Kai; Wu, Liyou; Zhou, Jizhong] Univ Oklahoma, Inst Environm Genom, Norman, OK 73019 USA. [Tu, Qichao; Yuan, Mengting; He, Zhili; Xue, Kai; Wu, Liyou; Zhou, Jizhong] Univ Oklahoma, Dept Microbiol & Plant Biol, Norman, OK 73019 USA. [Deng, Ye] Chinese Acad Sci, Res Ctr Ecoenvironm Sci, CAS Key Lab Environm Biotechnol, Beijing, Peoples R China. [Hobbie, Sarah E.; Reich, Peter B.] Univ Minnesota, Dept Forest Resources, St Paul, MN 55108 USA. [Reich, Peter B.] Univ Western Sydney, Hawkesbury Inst Environm, Richmond, NSW, Australia. [Zhou, Jizhong] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Zhou, Jizhong] Tsinghua Univ, Sch Environm, State Key Joint Lab Environm Simulat & Pollut Con, Beijing 100084, Peoples R China. RP Zhou, JZ (reprint author), Univ Oklahoma, Inst Environm Genom, Norman, OK 73019 USA. EM jzhou@ou.edu OI ?, ?/0000-0002-7584-0632; Hobbie, Sarah/0000-0001-5159-031X FU U.S. Department of Agriculture [2007-35319-18305]; Department of Energy through the Genomics: GTL Foundational Science, Office of Biological and Environmental Research [DE-SC0004601]; National Science Foundation [DEB-0716587, DEB-0620652]; Cedar Creek Long Term Ecological Research project [DEB0322057, DEB-0080382]; BioComplexity, LTER and LTREB projects [DEB-0716587, DEB-0218039, DEB-0219104, DEB-0217631]; DOE Program for Ecosystem Research; Minnesota Environment and Natural Resources Trust Fund FX This study is supported by the U.S. Department of Agriculture (project 2007-35319-18305) through the NSF-USDA Microbial Observatories Program, by the Department of Energy under contract DE-SC0004601 through the Genomics: GTL Foundational Science, Office of Biological and Environmental Research, and by National Science Foundation grants DEB-0716587 and DEB-0620652, as well as grants DEB0322057, DEB-0080382 (the Cedar Creek Long Term Ecological Research project), DEB-0218039, DEB-0219104, DEB-0217631, and DEB-0716587 (BioComplexity, LTER and LTREB projects), the DOE Program for Ecosystem Research, and the Minnesota Environment and Natural Resources Trust Fund. NR 72 TC 6 Z9 6 U1 5 U2 59 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0099-2240 EI 1098-5336 J9 APPL ENVIRON MICROB JI Appl. Environ. Microbiol. PD APR PY 2015 VL 81 IS 7 BP 2445 EP 2454 DI 10.1128/AEM.04040-14 PG 10 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA CE5AL UT WOS:000351842000019 PM 25616796 ER PT J AU Peet, KC Freedman, AJE Hernandez, HH Britto, V Boreham, C Ajo-Franklin, JB Thompson, JR AF Peet, Kyle C. Freedman, Adam J. E. Hernandez, Hector H. Britto, Vanya Boreham, Chris Ajo-Franklin, Jonathan B. Thompson, Janelle R. TI Microbial Growth under Supercritical CO2 SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID PRESSURE CARBON-DIOXIDE; BACILLUS-SUBTILIS; SP-NOV.; INDIGENOUS MICROORGANISMS; REDUCING BACTERIUM; SUBSURFACE; DEEP; TEMPERATURE; SEQUESTRATION; INACTIVATION AB Growth of microorganisms in environments containing CO2 above its critical point is unexpected due to a combination of deleterious effects, including cytoplasmic acidification and membrane destabilization. Thus, supercritical CO2 (scCO(2)) is generally regarded as a sterilizing agent. We report isolation of bacteria from three sites targeted for geologic carbon dioxide sequestration (GCS) that are capable of growth in pressurized bioreactors containing scCO(2). Analysis of 16S rRNA genes from scCO(2) enrichment cultures revealed microbial assemblages of varied complexity, including representatives of the genus Bacillus. Propagation of enrichment cultures under scCO(2) headspace led to isolation of six strains corresponding to Bacillus cereus, Bacillus subterraneus, Bacillus amyloliquefaciens, Bacillus safensis, and Bacillus megaterium. Isolates are spore-forming, facultative anaerobes and capable of germination and growth under an scCO(2) headspace. In addition to these isolates, several Bacillus type strains grew under scCO(2), suggesting that this may be a shared feature of spore-forming Bacillus spp. Our results provide direct evidence of microbial activity at the interface between scCO(2) and an aqueous phase. Since microbial activity can influence the key mechanisms for permanent storage of sequestered CO2 (i.e., structural, residual, solubility, and mineral trapping), our work suggests that during GCS microorganisms may grow and catalyze biological reactions that influence the fate and transport of CO2 in the deep subsurface. C1 [Peet, Kyle C.; Freedman, Adam J. E.; Hernandez, Hector H.; Britto, Vanya; Thompson, Janelle R.] MIT, Dept Civil & Environm Engn, Cambridge, MA 02139 USA. [Boreham, Chris] Geosci Australia, Canberra, ACT, Australia. [Boreham, Chris] CO2CRC, Canberra, ACT, Australia. [Ajo-Franklin, Jonathan B.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Thompson, JR (reprint author), MIT, Dept Civil & Environm Engn, 77 Massachusetts Ave, Cambridge, MA 02139 USA. EM jrthompson114@gmail.com RI Ajo-Franklin, Jonathan/G-7169-2015; OI Hernandez, Hector/0000-0001-7173-1829 FU Department of Energy Office of Fossil Energy [DE-FE0002128]; MIT Energy Initiative; U.S. Department of Energy [DE-AC02-05CH11231]; Center for Nanoscale Control of Geologic CO2, an Energy Frontier Research Center - U.S. Department of Energy [DE-AC02-05CH11231]; agency of the United States Government FX Funding for experimental work was provided to J.R.T. by the Department of Energy Office of Fossil Energy under award number DE-FE0002128 and by the MIT Energy Initiative. C.B. published with the permission of the CEO, Geoscience Australia. Drilling and coring activities were carried out through the Frio-2 project (U.S. Department of Energy), CO2CRC project (Australian Government), and the WESTCARB project at King Island (U.S. Department of Energy, under contract number DE-AC02-05CH11231; secondary sampling supported by the Center for Nanoscale Control of Geologic CO2, an Energy Frontier Research Center, funded by the U.S. Department of Energy under award number DE-AC02-05CH11231).; This publication was prepared as an account of work sponsored by an agency of the United States Government. Neither the United States Government nor any agency thereof, nor any of their employees, makes any warranty, express or implied, or assumes any legal liability or 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 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. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States Government or any agency thereof. NR 64 TC 3 Z9 3 U1 4 U2 24 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0099-2240 EI 1098-5336 J9 APPL ENVIRON MICROB JI Appl. Environ. Microbiol. PD APR PY 2015 VL 81 IS 8 BP 2881 EP 2892 DI 10.1128/AEM.03162-14 PG 12 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA CE5BE UT WOS:000351843900024 PM 25681188 ER PT J AU Parworth, C Fast, J Mei, F Shippert, T Sivaraman, C Tilp, A Watson, T Zhang, Q AF Parworth, Caroline Fast, Jerome Mei, Fan Shippert, Tim Sivaraman, Chitra Tilp, Alison Watson, Thomas Zhang, Qi TI Long-term measurements of submicrometer aerosol chemistry at the Southern Great Plains (SGP) using an Aerosol Chemical Speciation Monitor (ACSM) SO ATMOSPHERIC ENVIRONMENT LA English DT Article DE Aerodyne aerosol mass spectrometer (AMS); Rural; Organic aerosols; Back-trajectory analysis; Biomass burning ID SECONDARY ORGANIC AEROSOL; POSITIVE MATRIX FACTORIZATION; MASS-SPECTROMETER; ATMOSPHERIC RADIATION; SOURCE APPORTIONMENT; OPTICAL-PROPERTIES; GLOBAL-MODELS; EMISSIONS; URBAN; VARIABILITY AB In this study the long-term trends of non-refractory submicrometer aerosol (NR-PM1) composition and mass concentration measured by an Aerosol Chemical Speciation Monitor (ACSM) at the Atmospheric Radiation Measurement (ARM) program's Southern Great Plains (SGP) site are discussed. NR-PM1 data was recorded at similar to 30 min intervals over a period of 19 months between November 2010 and June 2012. Positive Matrix Factorization (PMF) was performed on the measured organic mass spectral matrix using a rolling window technique to derive factors associated with distinct sources, evolution processes, and physiochemical properties. The rolling window approach also allows us to capture the dynamic variations of the chemical properties in the organic aerosol (OA) factors over time. Three OA factors were obtained including two oxygenated OA (OOA) factors, differing in degrees of oxidation, and a biomass burning OA (BBOA) factor. Back trajectory analyses were performed to investigate possible sources of major NR-PM1 species at the SGP site. Organics dominated NR-PM1 mass concentration for the majority of the study with the exception of winter, when ammonium nitrate increases due to transport of precursor species from surrounding urban and agricultural areas and also due to cooler temperatures. Sulfate mass concentrations have little seasonal variation with mixed regional and local sources. In the spring BBOA emissions increase and are mainly associated with local fires. Isoprene and carbon monoxide emission rates were obtained by the Model of Emissions of Gases and Aerosols from Nature (MEGAN) and the 2011 U.S. National Emissions Inventory to represent the spatial distribution of biogenic and anthropogenic sources, respectively. The combined spatial distribution of isoprene emissions and air mass trajectories suggest that biogenic emissions from the southeast contribute to SOA formation at the SGP site during the summer. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Parworth, Caroline; Zhang, Qi] Univ Calif Davis, Dept Environm Toxicol, Davis, CA 95616 USA. [Fast, Jerome; Mei, Fan; Shippert, Tim; Sivaraman, Chitra] Pacific Northwest Natl Lab, Richland, WA 99354 USA. [Tilp, Alison; Watson, Thomas] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Zhang, Q (reprint author), Univ Calif Davis, Dept Environm Toxicol, 1 Shields Ave, Davis, CA 95616 USA. EM dkwzhang@ucdavis.edu RI Zhang, Qi/F-9653-2010; OI Mei, Fan/0000-0003-4285-2749; Zhang, QI/0000-0002-5203-8778 FU U.S. Department of Energy, the Office of Science, Atmospheric System Research Program [DE-FG02-11ER65293]; National Science Foundation (NSF) [DGE-1148897]; DOE Atmospheric Radiation Measurement (ARM); Battelle Memorial Institute [DE-AC05-76RL01830] FX This research was supported by the U.S. Department of Energy, the Office of Science, Atmospheric System Research Program, grant No. DE-FG02-11ER65293 and the National Science Foundation (NSF) Graduate Research Fellowship under grant No. DGE-1148897. Data from the SGP site was supported by the DOE Atmospheric Radiation Measurement (ARM) program. The authors gratefully acknowledge the NOAA Air Resources Laboratory (ARL) for the provision of the HYSPLIT transport and dispersion model and/or READY website (http://www.ready.noaa.gov) used in this publication. PNNL is operated for the US DOE by Battelle Memorial Institute under contract DE-AC05-76RL01830. NR 45 TC 14 Z9 14 U1 5 U2 56 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1352-2310 EI 1873-2844 J9 ATMOS ENVIRON JI Atmos. Environ. PD APR PY 2015 VL 106 BP 43 EP 55 DI 10.1016/j.atmosenv.2015.01.060 PG 13 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA CE6RR UT WOS:000351966200005 ER PT J AU Lyra, S Wilde, B Kolla, H Seitzman, JM Lieuwen, TC Chen, JH AF Lyra, Sgouria Wilde, Benjamin Kolla, Hemanth Seitzman, Jerry M. Lieuwen, Timothy C. Chen, Jacqueline H. TI Structure of hydrogen-rich transverse jets in a vitiated turbulent flow SO COMBUSTION AND FLAME LA English DT Article DE DNS; Experiment; Transverse jet; Vitiated crossflow ID DIRECT NUMERICAL-SIMULATION; SHEAR-LAYER INSTABILITIES; CROSS-FLOW; ABSOLUTE INSTABILITY; DIFFUSION FLAMES; HEATED COFLOW; PART 1; DENSITY; STABILIZATION; STABILITY AB This paper reports the results of a joint experimental and numerical study of the flow characteristics and flame structure of a hydrogen rich jet injected normal to a turbulent, vitiated crossflow of lean methane combustion products. Simultaneous high-speed stereoscopic Ply and OH PLIF measurements were obtained and analyzed alongside three-dimensional direct numerical simulations of inert and reacting JICF with detailed H-2/CO chemistry. Both the experiment and the simulation reveal that, contrary to most previous studies of reacting JICF stabilized in low-to-moderate temperature air crossflow, the present conditions lead to a burner-attached flame that initiates uniformly around the burner edge. Significant asymmetry is observed, however, between the reaction zones located on the windward and leeward sides of the jet, due to the substantially different scalar dissipation rates. The windward reaction zone is much thinner in the near field, while also exhibiting significantly higher local and global heat release than the much broader reaction zone found on the leeward side of the jet. The unsteady dynamics of the windward shear layer, which largely control the important jet/crossflow mixing processes in that region, are explored in order to elucidate the important flow stability implications arising in the inert and reacting JICF. The paper concludes with an analysis of the ignition, flame characteristics, and global structure of the burner-attached flame. Chemical explosive mode analysis (CEMA) shows that the entire windward shear layer, and a large region on the leeward side of the jet, are highly explosive prior to ignition and are dominated by non-premixed flame structures after ignition. The predominantly mixing limited nature of the flow after ignition is examined by computing the Takeno flame index, which shows that similar to 70% of the heat release occurs in non-premixed regions. (C) 2014 The Combustion Institute. Published by Elsevier Inc. All rights reserved. C1 [Lyra, Sgouria; Kolla, Hemanth; Chen, Jacqueline H.] Sandia Natl Labs, Combust Res Facil, Reacting Flow Res Dept, Livermore, CA 94551 USA. [Wilde, Benjamin] Georgia Inst Technol, Sch Mech Engn, Atlanta, GA 30332 USA. [Seitzman, Jerry M.; Lieuwen, Timothy C.] Georgia Inst Technol, Sch Aerosp Engn, Atlanta, GA 30332 USA. RP Lyra, S (reprint author), Sandia Natl Labs, Combust Res Facil, Reacting Flow Res Dept, Livermore, CA 94551 USA. FU US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences; Air Force Office of Scientific Research [FA9550-12-1-0107/RC657]; National Science Foundation [CBET-1235779] FX The work at Sandia National Laboratories was sponsored by the US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. The research used computing resources of the OLCF at Oak Ridge National Laboratory under the DOE INCITE program and the National Energy Research Scientific Computing Center. The work at Georgia Tech was partially supported by the Air Force Office of Scientific Research (contract #FA9550-12-1-0107/RC657, contract monitor Dr. Chiping Lee) and the National Science Foundation (contract CBET-1235779, contract monitor, Professor Ruey-Hung Chen). The authors would also like to thank Prof. Ann Karagozian for generously sharing the contoured nozzle profile used in this work. The authors are grateful for the assistance of lanko Chterev during setup of the diagnostic hardware. NR 54 TC 3 Z9 3 U1 5 U2 19 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0010-2180 EI 1556-2921 J9 COMBUST FLAME JI Combust. Flame PD APR PY 2015 VL 162 IS 4 BP 1234 EP 1248 DI 10.1016/j.combustflame.2014.10.014 PG 15 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA CE4IK UT WOS:000351794100029 ER PT J AU Nakamura, H Curran, HJ Cordoba, AP Pitz, WJ Dagaut, P Togbe, C Sarathy, SM Mehl, M Agudelo, JR Bustamante, F AF Nakamura, Hisashi Curran, Henry J. Cordoba, Angel Polo Pitz, William J. Dagaut, Philippe Togbe, Casimir Sarathy, S. Mani Mehl, Marco Agudelo, John R. Bustamante, Felipe TI An experimental and modeling study of diethyl carbonate oxidation SO COMBUSTION AND FLAME LA English DT Article DE Ignition delay time; Oxidation; Shock tube; Rapid compression machine; Diethyl carbonate; Jet-stirred reactor ID RAPID COMPRESSION MACHINE; JET-STIRRED REACTOR; ATOM ABSTRACTION REACTIONS; ETHYLENE-AIR MIXTURES; FLOW DIFFUSION FLAME; SHOCK-TUBE; RATE CONSTANTS; ELEVATED PRESSURES; THERMAL-DECOMPOSITION; DIMETHYL CARBONATE AB Diethyl carbonate (DEC) is an attractive biofuel that can be used to displace petroleum-derived diesel fuel, thereby reducing CO2 and particulate emissions from diesel engines. A better understanding of DEC combustion characteristics is needed to facilitate its use in internal combustion engines. Toward this goal, ignition delay times for DEC were measured at conditions relevant to internal combustion engines using a rapid compression machine (RCM) and a shock tube. The experimental conditions investigated covered a wide range of temperatures (660-1300 K), a pressure of 30 bar, and equivalence ratios of 0.5, 1.0 and 2.0 in air. To provide further understanding of the intermediates formed in DEC oxidation, species concentrations were measured in a jet-stirred reactor at 10 atm over a temperature range of 500-1200 K and at equivalence ratios of 0.5, 1.0 and 2.0. These experimental measurements were used to aid the development and validation of a chemical kinetic model for DEC. The experimental results for ignition in the RCM showed near negative temperature coefficient (NTC) behavior. Six-membered alkylperoxy radical (R(O) over dot(2)) isomerizations are conventionally thought to initiate low-temperature branching reactions responsible for NTC behavior, but DEC has no such possible 6- and 7-membered ring isomerizations. However, its molecular structure allows for 5-, 8- and 9-membered ring R(O) over dot(2) isomerizations. To provide accurate rate constants for these ring structures, ab initio computations for R(O) over dot(2) reversible arrow (Q) over dot OOH isomerization reactions were performed. These new R(O) over dot(2) isomerization rate constants have been implemented in a chemical kinetic model for DEC oxidation. The model simulations have been compared with ignition delay times measured in the RCM near the NTC region. Results of the simulation were also compared with experimental results for ignition in the high-temperature region and for species concentrations in the jet-stirred reactor. Chemical kinetic insights into the oxidation of DEC were made using these experimental and modeling results. (C) 2014 The Combustion Institute. Published by Elsevier Inc. All rights reserved. C1 [Nakamura, Hisashi; Curran, Henry J.] Natl Univ Ireland, Combust Chem Ctr, Galway, Ireland. [Nakamura, Hisashi] Tohoku Univ, Inst Fluid Sci, Sendai, Miyagi 9808577, Japan. [Cordoba, Angel Polo; Pitz, William J.; Mehl, Marco] Lawrence Livermore Natl Lab, Livermore, CA USA. [Cordoba, Angel Polo; Agudelo, John R.; Bustamante, Felipe] Univ Antioquia, Medellin, Colombia. [Dagaut, Philippe; Togbe, Casimir] CNRS INSIS, Orleans, France. [Sarathy, S. Mani] King Abdullah Univ Sci & Technol, Clean Combust Res Ctr, Thuwal, Saudi Arabia. RP Nakamura, H (reprint author), Tohoku Univ, Inst Fluid Sci, Aoba Ku, 2-1-1 Katahira, Sendai, Miyagi 9808577, Japan. EM nakamura@edyn.ifs.tohoku.ac.jp RI Nakamura, Hisashi/D-9595-2012; Dagaut, Philippe/C-1709-2008; Sarathy, S. Mani/M-5639-2015; Mehl, Marco/A-8506-2009; OI Nakamura, Hisashi/0000-0002-3158-370X; Dagaut, Philippe/0000-0003-4825-3288; Sarathy, S. Mani/0000-0002-3975-6206; Mehl, Marco/0000-0002-2227-5035; Curran, Henry/0000-0002-5124-8562; AGUDELO, JOHN/0000-0003-1304-9375 FU US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; US Department of Energy, Office of Vehicle Technologies; Office of Basic Energy Sciences; ERC Advanced Grant "2G-CSafe: Combustion of Sustainable Alternative Fuels for Engines used in aeronautics and automotives" [291049]; NSERC of Canada; KAUST Clean Combustion Research Center; Ministry of Agriculture; Government of Cesar; Colciencias; Popular University of Cesar; University of Antioquia in Colombia; "Young Researcher Overseas Visits Program for Vitalizing Brain Circulation" from Japan Society for the Promotion of Science. FX This work was performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. The work at LLNL work was supported by the US Department of Energy, Office of Vehicle Technologies and the Office of Basic Energy Sciences, and the authors thank program managers Gurpreet Singh, Kevin Stork, and Wade Sisk. The work performed at CNRS was funded via the ERC Advanced Grant "2G-CSafe: Combustion of Sustainable Alternative Fuels for Engines used in aeronautics and automotives", Grant Agreement Number 291049 (PI Philippe Dagaut). Co-author SMS acknowledges fellowship support from NSERC of Canada and from the KAUST Clean Combustion Research Center. Co-author ADPC acknowledges the Ministry of Agriculture, the Government of Cesar, Colciencias, Popular University of Cesar and the University of Antioquia in Colombia, for the doctoral scholarship received. Co-author HN acknowledges the financial support "Young Researcher Overseas Visits Program for Vitalizing Brain Circulation" from Japan Society for the Promotion of Science. NR 56 TC 4 Z9 4 U1 2 U2 28 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0010-2180 EI 1556-2921 J9 COMBUST FLAME JI Combust. Flame PD APR PY 2015 VL 162 IS 4 BP 1395 EP 1405 DI 10.1016/j.combustflame.2014.11.002 PG 11 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA CE4IK UT WOS:000351794100042 ER PT J AU Collins, ES Skelton, BR Pantoya, ML Irin, F Green, MJ Daniels, MA AF Collins, Eric S. Skelton, Brandon R. Pantoya, Michelle L. Irin, Fahmida Green, Micah J. Daniels, Michael A. TI Ignition sensitivity and electrical conductivity of an aluminum fluoropolymer reactive material with carbon nanofillers SO COMBUSTION AND FLAME LA English DT Article DE Aluminum; Ignition sensitivity; Carbon nanotubes; Electrostatic discharge; Graphene ID PERCOLATION-THRESHOLD; NANOTUBES; COMPOSITES AB The safe handling of powdered energetic material composites requires an understanding of their response to electrostatic discharge (ESD) ignition stimuli. In this study, a binary composite of aluminum (Al) and polytetrafluoroethylene (PTFE) is tailored for ESD ignition sensitivity by varying the concentration of highly electrically conductive nanofillers. The goal is to understand ESD ignition response of Al + PTFE when nanofiller loadings are added to the base mixture that negligibly affect combustion but significantly alter ignition and the electrical conductivity of the mixture. Previous work has shown a correlation between electrical conductivity and ESD ignition sensitivity. The nanofillers examined include carbon nanotubes (CNT), graphene nano platelets (GNP), and combinations of CNT and GNP. Adding CNT creates an electrical conductivity percolation threshold at a lower volume fraction compared to GNP. Hence, CNT are the controlling nanofiller that creates a percolating network when a combination of CNT and GNP are used. Various mixing methods are examined including sonication techniques and dry mixing. Results show that a composition insensitive to ESD ignition became sensitive by controlling its electrical conductivity through nanofiller addition. (C) 2014 The Combustion Institute. Published by Elsevier Inc. All rights reserved. C1 [Collins, Eric S.; Skelton, Brandon R.; Pantoya, Michelle L.] Texas Tech Univ, Dept Mech Engn, Lubbock, TX 79409 USA. [Irin, Fahmida] Texas Tech Univ, Dept Chem Engn, Lubbock, TX 79409 USA. [Green, Micah J.] Texas A&M Univ, Dept Chem Engn, College Stn, TX 77843 USA. [Daniels, Michael A.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Pantoya, ML (reprint author), Texas Tech Univ, Dept Mech Engn, Lubbock, TX 79409 USA. FU Army Research Office [W911NF-11-1-0439]; Idaho National Laboratory; LDRD program FX The authors M. Pantoya, E. Collins, and B. Skelton are grateful for support from the Army Research Office contract number W911NF-11-1-0439 and encouragement from our program manager, Dr. Ralph Anthenien. They are also grateful for Evan Vargas who provided all SEM images. Idaho National Laboratory is also gratefully acknowledged for supporting this collaborative work with internal funds via the LDRD program. NR 20 TC 6 Z9 6 U1 6 U2 34 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0010-2180 EI 1556-2921 J9 COMBUST FLAME JI Combust. Flame PD APR PY 2015 VL 162 IS 4 BP 1417 EP 1421 DI 10.1016/j.combustflame.2014.11.008 PG 5 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA CE4IK UT WOS:000351794100044 ER PT J AU Scholtissek, A Chan, WL Xu, HB Hunger, F Kolla, H Chen, JH Ihme, M Hasse, C AF Scholtissek, Arne Chan, Wai Lee Xu, Hongbin Hunger, Franziska Kolla, Hemanth Chen, Jacqueline H. Ihme, Matthias Hasse, Christian TI A multi-scale asymptotic scaling and regime analysis of flamelet equations including tangential diffusion effects for laminar and turbulent flames SO COMBUSTION AND FLAME LA English DT Article DE Non-premixed flamelet; Differential diffusion; Curvature; Tangential diffusion; Multi-dimensional effects; Asymptotic scaling analysis ID DIRECT NUMERICAL-SIMULATION; HYDROGEN JET FLAME; DIFFERENTIAL DIFFUSION; GENERATED MANIFOLDS; PREMIXED COMBUSTION; HEATED COFLOW; FLOW; MODEL; EXTINCTION; CURVATURE AB Recently, the relevance of tangential diffusion effects has been identified for laminar flames. These effects are not considered in the classical flamelet equations. In the present work, flamelet equations including these effects are derived, and their relevance is investigated by a multi-scale asymptotic scaling analysis. The analysis yields characteristic ratios dependent on the local curvature of the mixture fraction field, the scalar dissipation rate, and the flame thickness, which indicate whether tangential diffusion effects become important. By comparing relevant scales, a regime diagram is developed and three different flamelet regimes are identified. In regime I, the classical flamelet equations are valid. In regime II, differential diffusion of species and temperature in flame-tangential direction becomes relevant. In regime III, additional transport along mixture fraction isosurfaces exhibits an influence on the flame structure. In the latter case it is not sufficient to condition species mass fractions and temperature on the mixture fraction alone since these quantities are not represented by a one-dimensional structure. The asymptotic scaling is verified against fully resolved numerical data of a laminar non-premixed methane-air flame and a turbulent lifted hydrogen jet flame. Budgets of different flamelet solutions of the laminar flame reveal that tangential diffusion effects are dominant over the classical flamelet terms near the flame centerline, while in regions away from it, standard flamelet terms are prevailing. For the turbulent flame, the results show that tangential diffusion effects are more localized and can exceed flame-normal transport, although, unsteadiness is more likely the key factor of the configuration. While the classical flamelet model is applicable for certain flames, this study shows that tangential diffusion effects may require consideration for general flame configurations. (C) 2014 The Combustion Institute. Published by Elsevier Inc. All rights reserved. C1 [Scholtissek, Arne; Xu, Hongbin; Hunger, Franziska; Hasse, Christian] Tech Univ Bergakad Freiberg, ZIK Virtuhcon, Chair Numer Thermofluid Dynam, D-09596 Freiberg, Germany. [Chan, Wai Lee] Univ Michigan, Dept Aerosp Engn, Ann Arbor, MI 48109 USA. [Ihme, Matthias] Stanford Univ, Dept Mech Engn, Stanford, CA 94305 USA. [Kolla, Hemanth; Chen, Jacqueline H.] Combust Res Facil, Sandia Natl Labs, Livermore, CA 94550 USA. RP Scholtissek, A (reprint author), Tech Univ Bergakad Freiberg, ZIK Virtuhcon, Chair Numer Thermofluid Dynam, D-09596 Freiberg, Germany. RI Hasse, Christian/A-3587-2011; Chan, Wai Lee/L-8281-2016; OI Hasse, Christian/0000-0001-9333-0911; Chan, Wai Lee/0000-0002-3692-7604; Xu, Hongbin/0000-0002-2688-839X FU German Research Foundation (DFG) [HA 4367/3-1]; Federal Ministry of Education and Research of Germany [03Z2FN11]; Air Force Office of Scientific Research - United States [FA9550-11-1-0031] FX The authors acknowledge the financial support by the German Research Foundation (DFG) in the project "Multi-Dimensional Flamelet Modeling for LES of Pulverized Coal Flames" (project number HA 4367/3-1) and by the Federal Ministry of Education and Research of Germany in the framework of Virtuhcon (project number 03Z2FN11). Wai Lee Chan and Matthias Ihme gratefully acknowledge financial support through the Air Force Office of Scientific Research - United States under the Award No. FA9550-11-1-0031. NR 31 TC 5 Z9 5 U1 1 U2 12 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0010-2180 EI 1556-2921 J9 COMBUST FLAME JI Combust. Flame PD APR PY 2015 VL 162 IS 4 BP 1507 EP 1529 DI 10.1016/j.combustflame.2014.11.016 PG 23 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA CE4IK UT WOS:000351794100053 ER PT J AU Liere, H Kim, TN Werling, BP Meehan, TD Landis, DA Gratton, C AF Liere, Heidi Kim, Tania N. Werling, Benjamin P. Meehan, Timothy D. Landis, Douglas A. Gratton, Claudio TI Trophic cascades in agricultural landscapes: indirect effects of landscape composition on crop yield SO ECOLOGICAL APPLICATIONS LA English DT Article DE aphids; Aphis glycines; Glycine max; landscape context; pest control; soybean; structural equation modeling (SEM) ID SOYBEAN APHID; BIOLOGICAL-CONTROL; NATURAL ENEMIES; GENERALIST PREDATORS; BIOCONTROL SERVICES; COMMUNITY STRUCTURE; ECOSYSTEM SERVICES; PEST SUPPRESSION; INSECTICIDE USE; UNITED-STATES AB The strength and prevalence of trophic cascades, defined as positive, indirect effects of natural enemies (predatory and parasitic arthropods) on plants, is highly variable in agroecosystems. This variation may in part be due to the spatial or landscape context in which these trophic cascades occur. In 2011 and 2012, we conducted a natural enemy exclusion experiment in soybean fields along a gradient of landscape composition across southern Wisconsin and Michigan, USA. We used structural equation modeling to ask (1) whether natural enemies influence biocontrol of soybean aphids (SBA) and soybean yield and (2) whether landscape effects on natural enemies influence the strength of the trophic cascades. We found that natural enemies (NE) suppressed aphid populations in both years of our study, and, in 2011, the yield of soybean plants exposed to natural enemies was 37% higher than the yield of plants with aphid populations protected from natural enemies. The strength of the trophic cascade was also influenced by landscape context. We found that landscapes with a higher proportion of soybean and higher diversity habitats resulted in more NE, fewer aphids, and, in some cases, a trend toward greater soybean yield. These results indicate that landscape context is important for understanding spatial variability in biocontrol and yield, but other factors, such as environmental variability and compensatory growth, might overwhelm the beneficial effects of biocontrol on crop yield. C1 [Liere, Heidi; Kim, Tania N.; Meehan, Timothy D.; Gratton, Claudio] Univ Wisconsin, Great Lakes Bioenergy Res Ctr, Madison, WI 53706 USA. [Liere, Heidi; Kim, Tania N.; Meehan, Timothy D.; Gratton, Claudio] Univ Wisconsin, Dept Entomol, Madison, WI 53706 USA. [Liere, Heidi] Reed Coll, Dept Biol, Portland, OR 97202 USA. [Werling, Benjamin P.] Michigan State Univ Extens, Hart, MI 49420 USA. [Landis, Douglas A.] Michigan State Univ, Dept Entomol, E Lansing, MI 48824 USA. RP Liere, H (reprint author), Reed Coll, Dept Biol, 3203 SE Woodstock Blvd, Portland, OR 97202 USA. EM heliere@reed.edu FU Department of Energy (DOE) Great Lakes Bioenergy Research Center (Office of Science) [DE-FC02- 07ER64494]; Department of Energy (DOE) Great Lakes Bioenergy Research Center (DOE Office of the Biomass Program, Office of Energy Efficiency and Renewable Energy) [DE-AC05-76RL01830]; National Science Foundation Long-Term Ecological Research Program; USDA Agriculture and Food Research Initiative [2011-67009-30022] FX We thank many state and private landowners for land access. Field and lab assistants at the University of Wisconsin in Madison (A. Nelson, G. Jones, C. Schwantes, C. Fritz, A. Rudie, A. Snow, A. Wenninger, C. Bergstrom, F. Howk, B. Khang, and L. Wood) and Michigan State University (G. Hirzel, J. Perrone, J. Kalin, A. Donovan, J. Busken, S. Valko, E. Luu, and L. Lindemann). This research was funded in part by the Department of Energy (DOE) Great Lakes Bioenergy Research Center (Office of Science DE-FC02- 07ER64494 and DOE Office of the Biomass Program, Office of Energy Efficiency and Renewable Energy DE-AC05-76RL01830), the National Science Foundation Long-Term Ecological Research Program, and a USDA Agriculture and Food Research Initiative Competitive Grant 2011-67009-30022. NR 70 TC 7 Z9 7 U1 8 U2 55 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1051-0761 EI 1939-5582 J9 ECOL APPL JI Ecol. Appl. PD APR PY 2015 VL 25 IS 3 BP 652 EP 661 DI 10.1890/14-0570.1 PG 10 WC Ecology; Environmental Sciences SC Environmental Sciences & Ecology GA CE5DE UT WOS:000351849700006 PM 26214911 ER PT J AU Taylor, AJ Lai, CT Hopkins, FM Wharton, S Bible, K Xu, XM Phillips, C Bush, S Ehleringer, JR AF Taylor, Adam J. Lai, Chun-Ta Hopkins, Francesca M. Wharton, Sonia Bible, Ken Xu, Xiaomei Phillips, Claire Bush, Susan Ehleringer, James R. TI Radiocarbon-Based Partitioning of Soil Respiration in an Old-Growth Coniferous Forest SO ECOSYSTEMS LA English DT Article DE soil CO2 flux; radiocarbon; root respiration; residence time of soil carbon; stored carbon; photosynthates ID BLACK SPRUCE FOREST; DOUGLAS-FIR; TEMPERATE FOREST; MICROBIAL CONTRIBUTIONS; PACIFIC-NORTHWEST; RESIDENCE TIMES; CARBON BUDGET; UNITED-STATES; FINE ROOTS; CO2 EFFLUX AB Temperate forests play an important role in the global carbon cycle, and are thought to currently be a sink for atmospheric CO2. However, we lack understanding of the drivers of forest carbon accumulation and loss, hampering our ability to predict carbon cycle responses to global change. In this study, we used CO2 flux and radiocarbon (C-14) measurements to investigate the role of seasonal drivers on soil respiration. Radiocarbon measurements of CO2 evolved during incubation of fine roots and root-free soils at the beginning and end of the growing season (April and August) showed that these two soil respiration sources (fine roots vis-A -vis soils) have different mean residence times that stayed constant between seasons. Radiocarbon measurements show that root respiration was made up of carbon fixed 3-5 years prior to sampling, and that heterotrophic respiration was made up of carbon fixed 7-10 years prior. The difference in radiocarbon signature between the two sources allowed us to partition autotrophic and heterotrophic respiration sources for soil respiration measurements in the field. We observed a small but significant increase in a dagger C-14 of soil respiration between April and August, suggesting an increase in heterotrophic respiration sources over the growing season. Using a two end-member mixing model, we estimate that 55 +/- A 22% of soil respiration originated from autotrophic (root) sources in April, but their contribution dropped to 38 +/- A 21% in August. These findings suggest that the contribution of root respiration increases at a time of high productivity and/or as a result of relatively low microbial respiration in the early spring in this old-growth coniferous forest. C1 [Taylor, Adam J.; Lai, Chun-Ta] San Diego State Univ, Dept Biol, San Diego, CA 92182 USA. [Hopkins, Francesca M.; Xu, Xiaomei] Univ Calif Irvine, Dept Earth Syst Sci, Irvine, CA 92697 USA. [Wharton, Sonia] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Bible, Ken] Univ Washington, Wind River Field Stn, Carson, WA 98610 USA. [Phillips, Claire] Oregon State Univ, Dept Crops & Soil Sci, Corvallis, OR 97331 USA. [Bush, Susan; Ehleringer, James R.] Univ Utah, Dept Biol, Salt Lake City, UT 84112 USA. RP Lai, CT (reprint author), San Diego State Univ, Dept Biol, San Diego, CA 92182 USA. EM chun-ta.lai@mail.sdsu.edu FU US Department of Energy's Office of Science (BER) [DE-SC0005266] FX The authors would like to thank James T. Randerson for his comments. This study was supported by US Department of Energy's Office of Science (BER) under Grant No. DE-SC0005266. NR 50 TC 1 Z9 2 U1 4 U2 35 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1432-9840 EI 1435-0629 J9 ECOSYSTEMS JI Ecosystems PD APR PY 2015 VL 18 IS 3 BP 459 EP 470 DI 10.1007/s10021-014-9839-4 PG 12 WC Ecology SC Environmental Sciences & Ecology GA CE1XE UT WOS:000351605400008 ER PT J AU Wang, LP Greenberg, S AF Wang, Liping Greenberg, Steve TI Window operation and impacts on building energy consumption SO ENERGY AND BUILDINGS LA English DT Article DE Window operation; Natural ventilation; Mixed-mode; HVAC system; EnergyPlus ID MIXED-MODE BUILDINGS; PREDICTIVE CONTROL; HYBRID VENTILATION; OFFICE OCCUPANTS; BEHAVIOR; ADAPTATION; COMFORT AB Operable windows provide occupants with the ability to control local environments and satisfy human expectation to access outdoor environments. Operation behaviors or strategies for operable windows have substantial impacts on the indoor environment and building energy consumption. Facility managers complain about operable windows left open in buildings with conventional HVAC systems. However, optimum control strategies of window operation reduce energy consumption for buildings via natural ventilation or mixed-mode ventilation. This study focuses on the investigation of the impacts of window operation on building performance for different types of ventilation systems including natural ventilation, mixed-mode ventilation, and conventional VAV systems in a medium-size reference office building. A building performance simulation tool-EnergyPlus-is used to simulate window operation for each system type. Various control strategies of window operation, simulated using the energy management system feature (EMS) in EnergyPlus, are evaluated based on the criteria of thermal comfort and energy consumption. The investigation included the interaction between conventional VAV systems and window operation as well as control strategies for natural ventilation and mixed-mode ventilation. The results highlighted the impacts of window operation on energy use and comfort and identified HVAC energy savings of 17-47% with mixed-mode ventilation during summer for various climates. (C) 2015 Elsevier B.V. All rights reserved. C1 [Wang, Liping] Univ Wyoming, Dept Civil & Environm Engn, Laramie, WY 82071 USA. [Greenberg, Steve] Lawrence Berkeley Natl Lab, Dept Bldg Technol & Urban Syst, Berkeley, CA 94720 USA. RP Wang, LP (reprint author), Univ Wyoming, Dept Civil & Environm Engn, 1000 E Univ Dr, Laramie, WY 82071 USA. EM lwang12@uwyo.edu NR 27 TC 9 Z9 9 U1 3 U2 23 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0378-7788 EI 1872-6178 J9 ENERG BUILDINGS JI Energy Build. PD APR 1 PY 2015 VL 92 BP 313 EP 321 DI 10.1016/j.enbuild.2015.01.060 PG 9 WC Construction & Building Technology; Energy & Fuels; Engineering, Civil SC Construction & Building Technology; Energy & Fuels; Engineering GA CE4FQ UT WOS:000351786900028 ER PT J AU Khatiwada, D Venkatesan, S Chen, JH Chen, QL Adhikari, N Dubey, A Mitul, A Mohammad, L Sun, JY Zhang, C Luo, LB Qiao, QQ AF Khatiwada, Devendra Venkatesan, Swaminathan Chen, Jihua Chen, Qiliang Adhikari, Nirmal Dubey, Ashish Mitul, Abu Farzan Mohammad, Lal Sun, Jianyuan Zhang, Cheng Luo, Linbao Qiao, Qiquan TI Morphological Evolution and Its Impacts on Performance of Polymer Solar Cells SO IEEE TRANSACTIONS ON ELECTRON DEVICES LA English DT Article DE Donor-acceptor ratio; morphology; polymer solar cell; solvent additive ID OPEN-CIRCUIT VOLTAGE; PHOTOVOLTAIC PERFORMANCE; RECOMBINATION DYNAMICS; CHARGE-TRANSPORT; FILM MORPHOLOGY; DOMAIN PURITY; EFFICIENCY; BLENDS; NANOMORPHOLOGY; SIZE AB In this paper, the role of fullerene loading on the nanomorphology and photovoltaic performance of alternating copolymer poly{2-octyldodecyloxy-benzo[1,2-b; 3,4-b] dithiophene-alt-5,6-bis(dodecyloxy)-4,7bis(thiophen-2-yl)-benzo[c] [1,2,5]-thiadiazole} (PBDT-ABT-1) blend films was investigated. The morphology of blend films with different Phenyl C-60-butyric acid methyl ester (PCBM) mixing ratios and solvent additives was studied using atomic force microscopy (AFM) and energy-filtered transmission electron microscopy (EFTEM). AFM and EFTEM images showed difference in the intermixing of polymer with fullerene between 1:1, 1:2, and 1:3 weight ratios. Polymer/PCBM intermixed domain size increases with higher PCBM weight ratios. X-ray diffraction measurements on the pristine polymer and blend films cast without additives did not show any peaks, suggesting an amorphous nature of PBDT-ABT1. EFTEM images from the donor/acceptor composite showed intermixed polymer-PCBM domains separated by the polymer boundary. Furthermore, EFTEM images for di-iodooctane (DIO) additive cast film revealed purer polymer domain. Photo-charge extraction by linearly increasing voltage measurement exhibited that charge extraction is highest in the nanomorphology sample with a weight ratio of 1:2, corresponding to the lowest bimolecular recombination and the highest charge carrier mobility. C1 [Khatiwada, Devendra; Venkatesan, Swaminathan; Chen, Qiliang; Adhikari, Nirmal; Dubey, Ashish; Mitul, Abu Farzan; Mohammad, Lal; Sun, Jianyuan; Zhang, Cheng; Qiao, Qiquan] S Dakota State Univ, Brookings, SD 57006 USA. [Chen, Jihua] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Luo, Linbao] Hefei Univ Technol, Hefei 230000, Peoples R China. RP Khatiwada, D (reprint author), S Dakota State Univ, Brookings, SD 57006 USA. EM devendra.khatiwada@jacks.sdstate.edu; swaminathan.venkatesan@sdstate.edu; chenj1@ornl.gov; chenj1@ornl.gov; nirmal.adhikari@sdstate.edu; ashish.dubey@sdstate.edu; abu.mitul@sdstate.edu; lal.mohammad@sdstate.edu; jianyuan.sun@sdstate.edu; cheng.zhang@sdstate.edu; luolb@hfut.edu.cn; qiquan.qiao@sdstate.edu RI Dubey, Ashish/E-8631-2015; Chen, Jihua/F-1417-2011; Venkatesan, Swaminathan/D-8809-2014; OI Dubey, Ashish/0000-0003-1955-2537; Chen, Jihua/0000-0001-6879-5936; Venkatesan, Swaminathan/0000-0003-2213-0255; Zhang, Cheng/0000-0001-8206-5171 FU National Aeronautics and Space Administration through the Experimental Program to Stimulate Competitive Research [NNX13AD31A]; National Science Foundation (NSF) [ECCS-0950731]; NSF Major Research Instrumentation [1229577]; Oak Ridge National Laboratory through the Division of Scientific User Facilities-Office of Basic Energy Sciences-U.S. Department of Energy FX This work was supported in part by the National Aeronautics and Space Administration through the Experimental Program to Stimulate Competitive Research under Grant NNX13AD31A, in part by the National Science Foundation (NSF) CAREER under Grant ECCS-0950731, and in part by the NSF Major Research Instrumentation under Grant 1229577. TEM experiments were conducted at the Center for Nanophase Materials Sciences, which was supported by the Oak Ridge National Laboratory through the Division of Scientific User Facilities-Office of Basic Energy Sciences-U.S. Department of Energy. The review of this paper was arranged by Editor A. G. Aberle. NR 33 TC 7 Z9 7 U1 1 U2 14 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9383 EI 1557-9646 J9 IEEE T ELECTRON DEV JI IEEE Trans. Electron Devices PD APR PY 2015 VL 62 IS 4 BP 1284 EP 1290 DI 10.1109/TED.2015.2402092 PG 7 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA CE3UF UT WOS:000351753900031 ER PT J AU Bacelli, G Ringwood, JV AF Bacelli, Giorgio Ringwood, John V. TI Numerical Optimal Control of Wave Energy Converters SO IEEE TRANSACTIONS ON SUSTAINABLE ENERGY LA English DT Article DE Control systems; direct transcription; wave energy AB Energy maximizing control for wave energy converters (WECs) is a nonstandard optimal control problem. While the constrained optimal control problem for WECs has been addressed by model-predictive control strategies, such strategies need to employ cost function modifications due to convexity problems and the algorithms are computationally complex, making real-time implementation difficult. The recently developed family of direct transcription methods offer a promising alternative, since they are computationally efficient and a convex problem results. Moreover, constraints on both the device displacement and velocity, and power take off force, are easily incorporated. Both single-body and multibody device models can be used, as well as arrays of single-body or multibody devices. C1 [Bacelli, Giorgio] Sandia Natl Labs, Water Power Technol Dept, Albuquerque, NM 87123 USA. [Ringwood, John V.] Maynooth Univ, Ctr Ocean Energy Res, Maynooth, Kildare, Ireland. RP Bacelli, G (reprint author), Sandia Natl Labs, Water Power Technol Dept, POB 5800, Albuquerque, NM 87123 USA. EM gbacelli@sandia.gov; john.ringwood@eeng.nuim.ie OI Ringwood, John/0000-0003-0395-7943 FU Enterprise Ireland [EI/TD/2009/0331] FX This work was supported in part by Enterprise Ireland under Grant EI/TD/2009/0331. This work was completed while G. Bacelli was affiliated with the Centre for Ocean Energy Research at Maynooth University. Paper no. TSTE-00220-2014. NR 16 TC 9 Z9 9 U1 3 U2 12 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1949-3029 J9 IEEE T SUSTAIN ENERG JI IEEE Trans. Sustain. Energy PD APR PY 2015 VL 6 IS 2 BP 294 EP 302 DI 10.1109/TSTE.2014.2371536 PG 9 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering, Electrical & Electronic SC Science & Technology - Other Topics; Energy & Fuels; Engineering GA CE4WG UT WOS:000351830300001 ER PT J AU Cui, MJ Ke, DP Sun, YZ Gan, D Zhang, J Hodge, BM AF Cui, Mingjian Ke, Deping Sun, Yuanzhang Gan, Di Zhang, Jie Hodge, Bri-Mathias TI Wind Power Ramp Event Forecasting Using a Stochastic Scenario Generation Method SO IEEE TRANSACTIONS ON SUSTAINABLE ENERGY LA English DT Article DE Genetic algorithm (GA); neural networks (NNs); stochastic process model; stochastic scenario generation; wind power; wind power ramp events (WPREs) ID NEURAL-NETWORKS; PREDICTION AB Wind power ramp events (WPREs) have received increasing attention in recent years as they have the potential to impact the reliability of power grid operations. In this paper, a novel WPRE forecasting method is proposed which is able to estimate the probability distributions of three important properties of the WPREs. To do so, a neural network (NN) is first proposed to model the wind power generation (WPG) as a stochastic process so that a number of scenarios of the future WPG can be generated (or predicted). Each possible scenario of the future WPG generated in this manner contains the ramping information, and the distributions of the designated WPRE properties can be stochastically derived based on the possible scenarios. Actual wind power data from a wind power plant in the Bonneville Power Administration (BPA) were selected for testing the proposed ramp forecasting method. Results showed that the proposed method effectively forecasted the probability of ramp events. C1 [Cui, Mingjian; Ke, Deping; Sun, Yuanzhang; Gan, Di] Wuhan Univ, Sch Elect Engn, Wuhan 430072, Peoples R China. [Zhang, Jie; Hodge, Bri-Mathias] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Ke, DP (reprint author), Wuhan Univ, Sch Elect Engn, Wuhan 430072, Peoples R China. EM mj_cui@whu.edu.cn; kedeping@whu.edu.cn; yzsun@mail.tsinghua.edu.cn; hubeigandi@whu.edu.cn; jie.zhang@nrel.gov; bri.mathias.hodge@nrel.gov FU National Basic Research Program of China [2012CB215101] FX This work was supported by the National Basic Research Program of China under Grant 2012CB215101. NR 32 TC 14 Z9 15 U1 2 U2 15 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1949-3029 J9 IEEE T SUSTAIN ENERG JI IEEE Trans. Sustain. Energy PD APR PY 2015 VL 6 IS 2 BP 422 EP 433 DI 10.1109/TSTE.2014.2386870 PG 12 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering, Electrical & Electronic SC Science & Technology - Other Topics; Energy & Fuels; Engineering GA CE4WG UT WOS:000351830300013 ER PT J AU Wu, HY Shahidehpour, M Alabdulwahab, A Abusorrah, A AF Wu, Hongyu Shahidehpour, Mohammad Alabdulwahab, Ahmed Abusorrah, Abdullah TI Demand Response Exchange in the Stochastic Day-Ahead Scheduling With Variable Renewable Generation SO IEEE TRANSACTIONS ON SUSTAINABLE ENERGY LA English DT Article DE Day-ahead scheduling; demand response exchange; energy storage; ISO's stochastic SCUC; Monte Carlo simulation; renewable energy sources ID CONSTRAINED UNIT COMMITMENT; ELECTRICITY MARKETS; POWER-GENERATION; WIND POWER; SECURITY; SCUC; OPTIMIZATION; ENERGY; MODEL AB This paper proposes a pool-based demand response exchange (DRX) model in which economic demand response (DR) is traded among DR participants as an alternative for managing the variability of renewable energy sources (RES). Load curtailment bids are provided by individual DRX participants and the DRX is cleared by maximizing the total social welfare, which is subject to supply-demand balance and individual bidders' inter-temporal operation constraints. The proposed DRX model is further integrated in the current context of the ISO's day-ahead scheduling in electricity markets. A two-step sequential market clearing framework is presented in which the ISO's stochastic day-ahead scheduling is simulated first for calculating the expected locational marginal prices (LMPs) and then, the proposed DRX is cleared successively using the expected LMPs. The simulation of the ISO's stochastic day-ahead scheduling incorporates random outages of system components and forecast errors for hourly renewable generation and loads. The decomposition-based method is employed to solve the ISO's day-ahead scheduling in the base case and scenarios. Numerical tests are performed for a 6-bus system and an IEEE 118-bus system. The results demonstrate the benefit of utilizing the DRX model for customer market participation in the ISO's day-ahead market scheduling. C1 [Wu, Hongyu] Natl Renewable Energy Lab, Power Syst Engn Ctr, Golden, CO 80401 USA. [Shahidehpour, Mohammad] IIT, Robert W Galvin Ctr Elect, Chicago, IL 60616 USA. [Alabdulwahab, Ahmed; Abusorrah, Abdullah] King Abdulaziz Univ, Dept Elect & Comp Engn, Renewable Energy Res Grp, Jeddah 21589, Saudi Arabia. RP Wu, HY (reprint author), Natl Renewable Energy Lab, Power Syst Engn Ctr, Golden, CO 80401 USA. EM hongyu.wu@nrel.gov; ms@iit.edu OI Wu, Hongyu/0000-0002-5223-6635 FU NSTIP Strategic Technologies Program in the Kingdom of Saudi Arabia [13-ENE2264-03-R] FX This work, titled "VERSES: Optimal Operation of Variable Energy Resources in Stochastic Electric Systems," was supported by the NSTIP Strategic Technologies Program in the Kingdom of Saudi Arabia under Project number 13-ENE2264-03-R. NR 43 TC 9 Z9 10 U1 0 U2 10 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1949-3029 J9 IEEE T SUSTAIN ENERG JI IEEE Trans. Sustain. Energy PD APR PY 2015 VL 6 IS 2 BP 516 EP 525 DI 10.1109/TSTE.2015.2390639 PG 10 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering, Electrical & Electronic SC Science & Technology - Other Topics; Energy & Fuels; Engineering GA CE4WG UT WOS:000351830300023 ER PT J AU Fansler, TD Wagner, RM AF Fansler, Todd D. Wagner, Robert M. TI Cyclic dispersion in engine combustion-Introduction by the special issue editors SO INTERNATIONAL JOURNAL OF ENGINE RESEARCH LA English DT Editorial Material ID DIRECT-INJECTION C1 [Fansler, Todd D.] Univ Wisconsin, Madison, WI 53718 USA. [Wagner, Robert M.] Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Fansler, TD (reprint author), Univ Wisconsin, Madison, WI 53718 USA. NR 28 TC 1 Z9 2 U1 0 U2 5 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 1468-0874 EI 2041-3149 J9 INT J ENGINE RES JI Int. J. Engine Res. PD APR PY 2015 VL 16 IS 3 SI SI BP 255 EP 259 DI 10.1177/1468087415572740 PG 5 WC Thermodynamics; Engineering, Mechanical; Transportation Science & Technology SC Thermodynamics; Engineering; Transportation GA CE3TJ UT WOS:000351751500001 ER PT J AU Fansler, TD Reuss, DL Sick, V Dahms, RN AF Fansler, Todd D. Reuss, David L. Sick, Volker Dahms, Rainer N. TI Combustion instability in spray-guided stratified-charge engines: A review SO INTERNATIONAL JOURNAL OF ENGINE RESEARCH LA English DT Review DE Direct injection; stratified charge; spark ignition; optical diagnostics; numerical simulation; cyclic dispersion; cyclic variation; piezo-electric injectors; multi-hole injectors; spark ignited direct injection; direct injection spark ignition; gasoline direct injection; ethanol-gasoline blends ID SPARK-IGNITION ENGINE; INJECTION GASOLINE-ENGINES; FLAME FRONT PROPAGATION; MIXTURE PREPARATION; DISI ENGINE; FLOW; OPERATION; SOOT; TEMPERATURE; DIAGNOSTICS AB This article reviews systematic research on combustion instabilities (principally rare, random misfires and partial burns) in spray-guided stratified-charge (SGSC) engines operated at part load with highly stratified fuel -air -residual mixtures. Results from high-speed optical imaging diagnostics and numerical simulation provide a conceptual framework and quantify the sensitivity of ignition and flame propagation to strong, cyclically varying temporal and spatial gradients in the flow field and in the fuel -air -residual distribution. For SGSC engines using multi-hole injectors, spark stretching and locally rich ignition are beneficial. Combustion instability is dominated by convective flow fluctuations that impede motion of the spark or flame kernel toward the bulk of the fuel, coupled with low flame speeds due to locally lean mixtures surrounding the kernel. In SGSC engines using outwardly opening piezo-electric injectors, ignition and early flame growth are strongly influenced by the spray's characteristic recirculation vortex. For both injection systems, the spray and the intake/compression-generated flow field influence each other. Factors underlying the benefits of multi-pulse injection are identified. Unresolved questions include (1) the extent to which piezo-SGSC misfires are caused by failure to form a flame kernel rather than by flame-kernel extinction (as in multi-hole SGSC engines); (2) the relative contributions of partially premixed flame propagation and mixing-controlled combustion under the exceptionally late-injection conditions that permit SGSC operation on E85-like fuels with very low NOx and soot emissions; and (3) the effects of flow-field variability on later combustion, where fuel-air-residual mixing within the piston bowl becomes important. C1 [Fansler, Todd D.] Univ Wisconsin, Engine Res Ctr, Madison, WI 53706 USA. [Reuss, David L.; Sick, Volker] Univ Michigan, Dept Mech Engn, Ann Arbor, MI 48109 USA. [Reuss, David L.; Dahms, Rainer N.] Sandia Natl Labs, Combust Res Facil, Livermore, CA USA. RP Fansler, TD (reprint author), Univ Wisconsin, Engine Res Ctr, 1500 Engn Dr, Madison, WI 53706 USA. EM tfansler@wisc.edu FU General Motors Company through the GM-UM Collaborative Research Laboratory in Engine Systems Research; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The UM research described here was carried out with financial support from General Motors Company through the GM-UM Collaborative Research Laboratory in Engine Systems Research. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 118 TC 18 Z9 19 U1 5 U2 41 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 1468-0874 EI 2041-3149 J9 INT J ENGINE RES JI Int. J. Engine Res. PD APR PY 2015 VL 16 IS 3 SI SI BP 260 EP 305 DI 10.1177/1468087414565675 PG 46 WC Thermodynamics; Engineering, Mechanical; Transportation Science & Technology SC Thermodynamics; Engineering; Transportation GA CE3TJ UT WOS:000351751500002 ER PT J AU Zeng, W Sjoberg, M Reuss, DL AF Zeng, Wei Sjoeberg, Magnus Reuss, David L. TI PIV examination of spray-enhanced swirl flow for combustion stabilization in a spray-guided stratified-charge direct-injection spark-ignition engine SO INTERNATIONAL JOURNAL OF ENGINE RESEARCH LA English DT Article DE Stratified direct-injection spark-ignition engine; swirl-flow redistribution by spray-swirl interaction; cycle-to-cycle variations in flow; combustion stabilization; PIV measurement ID PARTICLE IMAGE VELOCIMETRY AB Practical implementation of spray-guided stratified-charge direct-injection spark-ignition engines can be inhibited by combustion instability, in particular the occurrence of misfire and partial burns. Performance testing in an all-metal spray-guided stratified-charge direct-injection spark-ignition engine shows that increasing the engine speed from 1000 to 2000 r/min can cause a deterioration of the combustion stability for operation without intake-generated swirl. Introducing swirl to the in-cylinder air charge motion maintains combustion stability while the speed is increased. To gain understanding how swirl reduces cycle-to-cycle variability of the flow, two-dimensional Particle Image Velocimetry (PIV) measurements were made in a horizontal swirl plane near the top of the piston bowl and in a central vertical tumble plane. Tests with and without injection were conducted at 1000 and 2000 r/min for operation both with and without swirl. The results demonstrate that the swirl creates flow patterns in each cycle that are more similar to the ensemble-averaged cycle, and with decreased variability. Furthermore, the fuel injection causes a redistribution of angular momentum resulting from spray-swirl interaction. The gas-phase swirl flow is redistributed by the spray to create a very repeatable vortex with enhanced angular momentum close to the spray centerline. This decreases the cycle-to-cycle variability of the flow patterns. Quantified changes in the stability of the flow patterns with swirl and engine speed are consistent with the combustion-instability trends. C1 [Zeng, Wei; Sjoeberg, Magnus; Reuss, David L.] Sandia Natl Labs, Livermore, CA 94551 USA. [Reuss, David L.] Univ Michigan, Ann Arbor, MI 48109 USA. RP Zeng, W (reprint author), Sandia Natl Labs, MS 9053,POB 969, Livermore, CA 94551 USA. EM wzeng@sandia.gov FU U.S. Department of Energy, Office of Vehicle Technologies; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The work was performed at the Combustion Research Facility, Sandia National Laboratories, Livermore, CA, USA. Financial support was provided by the U.S. Department of Energy, Office of Vehicle Technologies. Sandia is a multiprogram laboratory operated by the Sandia Corporation, a Lockheed Martin Company, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 31 TC 11 Z9 11 U1 2 U2 13 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 1468-0874 EI 2041-3149 J9 INT J ENGINE RES JI Int. J. Engine Res. PD APR PY 2015 VL 16 IS 3 SI SI BP 306 EP 322 DI 10.1177/1468087414564605 PG 17 WC Thermodynamics; Engineering, Mechanical; Transportation Science & Technology SC Thermodynamics; Engineering; Transportation GA CE3TJ UT WOS:000351751500003 ER PT J AU Finney, CEA Kaul, BC Daw, CS Wagner, RM Edwards, KD Green, JB AF Finney, Charles E. A. Kaul, Brian C. Daw, C. Stuart Wagner, Robert M. Edwards, K. Dean Green, Johney B., Jr. TI A review of deterministic effects in cyclic variability of internal combustion engines SO INTERNATIONAL JOURNAL OF ENGINE RESEARCH LA English DT Review DE Cyclic variability; dilute combustion; nonlinear dynamics; complex systems ID SPARK-IGNITION ENGINE; NATURAL-GAS ENGINE; NONLINEAR DYNAMICS; RECOMPRESSION HCCI; WIEBE FUNCTION; TRANSITIONS; CHAOS AB We review developments in the understanding of cycle-to-cycle variability in internal combustion engines, with a focus on spark-ignited and premixed combustion conditions. Much of the research on cyclic variability has focused on stochastic aspects, that is, features that can be modeled as inherently random with no short-term predictability. In some cases, models of this type appear to work very well at describing experimental observations, but the lack of predictability limits control options. Also, even when the statistical properties of the stochastic variations are known, it can be very difficult to discern their underlying physical causes and thus mitigate them. Some recent studies have demonstrated that under some conditions, cyclic combustion variations can have a relatively high degree of low-dimensional deterministic structure, which implies some degree of predictability and potential for real-time control. These deterministic effects are typically more pronounced near critical stability limits (e.g. near tipping points associated with ignition or flame propagation) such during highly dilute fueling or near the onset of homogeneous charge compression ignition. We review recent progress in experimental and analytical characterization of cyclic variability where low-dimensional, deterministic effects have been observed. We describe some theories about the sources of these dynamical features and discuss prospects for interactive control and improved engine designs. Taken as a whole, the research summarized here implies that the deterministic component of cyclic variability will become a pivotal issue (and potential opportunity) as engine manufacturers strive to meet aggressive emissions and fuel economy regulations in the coming decades. C1 [Finney, Charles E. A.; Kaul, Brian C.; Daw, C. Stuart; Wagner, Robert M.; Edwards, K. Dean; Green, Johney B., Jr.] Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Finney, CEA (reprint author), 2360 Cherahala Blvd, Knoxville, TN 37932 USA. EM finneyc@ornl.gov RI Kaul, Brian/G-4056-2014; Green, Johney/B-3391-2017 OI Kaul, Brian/0000-0001-8481-3620; Green, Johney/0000-0003-2383-7260 FU Vehicle Technologies Office, Office of Energy Efficiency & Renewable Energy, US Department of Energy; US Department of Energy [DE-AC0500OR22725] FX The aspects of this work have been sponsored over the years by the Vehicle Technologies Office, Office of Energy Efficiency & Renewable Energy, US Department of Energy, Gurpreet Singh, Ken Howden, Leo Breton, managers. This article has been authored by UT-Battelle, LLC, under Contract No. DE-AC0500OR22725 with the US Department of Energy. The US Government retains and the publisher, by accepting the article for publication, acknowledges that the US Government retains a non-exclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this article, or allow others to do so, for the US Government purposes. NR 82 TC 8 Z9 8 U1 1 U2 17 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 1468-0874 EI 2041-3149 J9 INT J ENGINE RES JI Int. J. Engine Res. PD APR PY 2015 VL 16 IS 3 SI SI BP 366 EP 378 DI 10.1177/1468087415572033 PG 13 WC Thermodynamics; Engineering, Mechanical; Transportation Science & Technology SC Thermodynamics; Engineering; Transportation GA CE3TJ UT WOS:000351751500007 ER PT J AU Lo, J Zheng, TY Hon, S Olson, DG Lynd, LR AF Lo, Jonathan Zheng, Tianyong Hon, Shuen Olson, Daniel G. Lynd, Lee R. TI The Bifunctional Alcohol and Aldehyde Dehydrogenase Gene, adhE, Is Necessary for Ethanol Production in Clostridium thermocellum and Thermoanaerobacterium saccharolyticum SO JOURNAL OF BACTERIOLOGY LA English DT Article ID L-LACTATE DEHYDROGENASE; ESCHERICHIA-COLI; ACETALDEHYDE DEHYDROGENASE; ISOPRENOID QUINONE; BUTANOL PRODUCTION; FERMENTATION; CELLULOSE; BACTERIA; YIELDS; NADH AB Thermoanaerobacterium saccharolyticum and Clostridium thermocellum are anaerobic thermophilic bacteria being investigated for their ability to produce biofuels from plant biomass. The bifunctional alcohol and aldehyde dehydrogenase gene, adhE, is present in these bacteria and has been known to be important for ethanol formation in other anaerobic alcohol producers. This study explores the inactivation of the adhE gene in C. thermocellum and T. saccharolyticum. Deletion of adhE reduced ethanol production by >95% in both T. saccharolyticum and C. thermocellum, confirming that adhE is necessary for ethanol formation in both organisms. In both adhE deletion strains, fermentation products shifted from ethanol to lactate production and resulted in lower cell density and longer time to reach maximal cell density. In T. saccharolyticum, the adhE deletion strain lost>85% of alcohol dehydrogenase (ADH) activity. Aldehyde dehydrogenase (ALDH) activity did not appear to be affected, although ALDH activity was low in cell extracts. Adding ubiquinone-0 to the ALDH assay increased activity in the T. saccharolyticum parent strain but did not increase activity in the adhE deletion strain, suggesting that ALDH activity was inhibited. In C. thermocellum, the adhE deletion strain lost>90% of ALDH and ADH activity in cell extracts. The C. thermocellum adhE deletion strain contained a point mutation in the lactate dehydrogenase gene, which appears to deregulate its activation by fructose 1,6-bisphosphate, leading to constitutive activation of lactate dehydrogenase. C1 [Lo, Jonathan; Zheng, Tianyong; Lynd, Lee R.] Dartmouth Coll, Dept Biol Sci, Hanover, NH 03755 USA. [Hon, Shuen; Olson, Daniel G.; Lynd, Lee R.] Dartmouth Coll, Thayer Sch Engn, Hanover, NH 03755 USA. [Lo, Jonathan; Zheng, Tianyong; Hon, Shuen; Olson, Daniel G.; Lynd, Lee R.] BioEnergy Sci Ctr, Oak Ridge, TN USA. RP Lynd, LR (reprint author), Dartmouth Coll, Dept Biol Sci, Hanover, NH 03755 USA. EM Lee.R.Lynd@Dartmouth.edu RI Olson, Daniel/F-2058-2011; OI Olson, Daniel/0000-0001-5393-6302; Hon, Shuen/0000-0003-2146-0105 FU Office of Science of the U.S. Department of Energy [DE-AC02- 05CH11231]; Office of Biological and Environmental Research in the DOE Office of Science; U.S. Department of Energy [DE-AC05-00OR22725, 4000115284] FX The work conducted by the U.S. Department of Energy Joint Genome Institute, a DOE Office of Science User Facility, is supported by the Office of Science of the U.S. Department of Energy under contract no. DE-AC02- 05CH11231. The BioEnergy Science Center is a U.S. Department of Energy Bioenergy Research Center supported by the Office of Biological and Environmental Research in the DOE Office of Science.; This paper was been authored by Dartmouth College under subcontract no. 4000115284 and contract no. DE-AC05-00OR22725 with the U.S. Department of Energy. NR 48 TC 12 Z9 12 U1 4 U2 27 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0021-9193 EI 1098-5530 J9 J BACTERIOL JI J. Bacteriol. PD APR PY 2015 VL 197 IS 8 BP 1386 EP 1393 DI 10.1128/JB.02450-14 PG 8 WC Microbiology SC Microbiology GA CE3PC UT WOS:000351738600009 PM 25666131 ER PT J AU Claure, MT Chai, SH Dai, S Unocic, KA Alamgir, FM Agrawal, PK Jones, CW AF Claure, Micaela Taborga Chai, Song-Hai Dai, Sheng Unocic, Kinga A. Alamgir, Faisal M. Agrawal, Pradeep K. Jones, Christopher W. TI Tuning of higher alcohol selectivity and productivity in CO hydrogenation reactions over K/MoS2 domains supported on mesoporous activated carbon and mixed MgAl oxide SO JOURNAL OF CATALYSIS LA English DT Article DE Syngas; Higher alcohols; Molybdenum sulfide; Potassium; Mixed metal oxide; Activated carbon ID MOLYBDENUM SULFIDE CATALYSTS; RAY-ABSORPTION SPECTROSCOPY; GAS SHIFT CATALYST; AL HYDROTALCITE; RH CATALYSTS; SYNGAS; POTASSIUM; ETHANOL; CONVERSION; MOS2 AB Higher alcohol synthesis from syngas is studied over K/MoS2 domains supported on mesoporous carbon (C), mixed MgAl oxide (MMO), or mixtures thereof. While the carbon support offers high ethanol productivity, the MMO support yields enhanced C3+OH selectivity. MoKMMO-C, whereby Mo is initially contained on MMO then ground with carbon, behaves similar to the parent MoKMMO catalyst, as Mo on MMO has limited mobility during reaction. In contrast, on MoKC-MMO, significant Mo migrates from C to MMO during reaction, giving reactivity associated with Mo species on both supports (high C3+OH selectivity and productivity). MoS2 domain structures are correlated with the selectivity of the catalysts (C3+OH selectivity double MoS2 layers, total hydrocarbon selectivity single MoS2 layers). This study advances the understanding of the support's effect on structure reactivity relationships for this family of catalysts and introduces a new catalyst composition with desirable reactivity. (C) 2015 Elsevier Inc. All rights reserved. C1 [Claure, Micaela Taborga; Agrawal, Pradeep K.; Jones, Christopher W.] Georgia Inst Technol, Sch Chem & Biomol Engn, Atlanta, GA 30332 USA. [Chai, Song-Hai; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Unocic, Kinga A.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Alamgir, Faisal M.] Georgia Inst Technol, Sch Mat Sci & Engn, Atlanta, GA 30332 USA. RP Agrawal, PK (reprint author), Georgia Inst Technol, Sch Chem & Biomol Engn, Atlanta, GA 30332 USA. EM pradeep.agrawal@chbe.gatech.edu; cjones@chbe.gatech.edu RI Chai, Song-Hai/A-9299-2012; Dai, Sheng/K-8411-2015; BM, MRCAT/G-7576-2011 OI Chai, Song-Hai/0000-0002-4152-2513; Dai, Sheng/0000-0002-8046-3931; FU Center for Nanophase Materials Science; U.S. DOE [DE-AC02-06CH11357]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-98CH10886]; U.S. DOE Office of Science as part of the Center for Understanding and Control of Acid Gas Evolution of Materials for Energy, an Energy Frontier Research Center [DE-SC0012577] FX A portion of this research was conducted at the Center for Nanophase Materials Science, which is sponsored at Oak Ridge National Laboratory by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. Use of the Advanced Photon Source, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science by Argonne National Laboratory, was supported by the U.S. DOE under Contract No. DE-AC02-06CH11357. The authors wish to acknowledge the assistance received at 10-BM-A, B and 12-BM-B. The authors wish to express special thanks to 12-BM-B beamline personnel, Dr. Benjamin Reinhart and Dr. Sungsik Lee. Use of the National Synchrotron Light Source, Brookhaven National Laboratory, was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. The authors also wish to express special thanks to the assistance received from X-18B beamline personnel, Dr. Syed Khalid and Dr. Nebojsa Madnkovic. CWJ, MTC, and SD thank the U.S. DOE Office of Science for partial support of this work (travel, coordination, and partial support for MTC) as part of the Center for Understanding and Control of Acid Gas Evolution of Materials for Energy, an Energy Frontier Research Center, via contract DE-SC0012577. NR 74 TC 11 Z9 12 U1 14 U2 105 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9517 EI 1090-2694 J9 J CATAL JI J. Catal. PD APR PY 2015 VL 324 BP 88 EP 97 DI 10.1016/j.jcat.2015.01.015 PG 10 WC Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA CE4OG UT WOS:000351809300011 ER PT J AU Romick, CM Aslam, TD Powers, JM AF Romick, C. M. Aslam, T. D. Powers, J. M. TI Verified and validated calculation of unsteady dynamics of viscous hydrogen-air detonations SO JOURNAL OF FLUID MECHANICS LA English DT Article DE compressible flows; detonation waves; reacting flows ID ONE-DIMENSIONAL DETONATIONS; ADAPTIVE WAVELET METHOD; DETAILED CHEMISTRY; REACTING FLOWS; SIMULATION; INITIATION; ALGORITHM; COMBUSTION; STABILITY; EVOLUTION AB The dynamics of one-dimensional, piston-driven hydrogen-air detonations are predicted in the presence of physical mass, momentum and energy diffusion. The calculations are automatically verified by the use of an adaptive wavelet-based computational method which correlates a user-specified error tolerance to the error in the calculations. The predicted frequency of 0.97 MHz for an overdriven pulsating detonation agrees well with the 1.04 MHz frequency observed by Lehr in a shock-induced combustion experiment around a spherical projectile, thus giving a limited validation for the model. A study is performed in which the supporting piston velocity is varied, and the long time behaviour is examined for an initially stoichiometric mixture at 293.15 K and 1 atm. Several distinct propagation behaviours are predicted: a stable detonation, a high-frequency pulsating detonation, a pulsating detonation with two competing modes, a low-frequency pulsating detonation and a propagating detonation with many active frequencies. In the low-frequency pulsating mode, the long time behaviour undergoes a phenomenon similar to period-doubling. Harmonic analysis is used to examine how the frequency of the pulsations evolves as the supporting piston velocity is varied. It is found that the addition of viscosity shifts the neutral stability boundary by about 2% with respect to the supporting piston velocity. As the supporting piston velocity is lowered, the intrinsic instability grows in strength, and the effect of viscosity is weakened such that the results are indistinguishable from the inviscid predictions. C1 [Romick, C. M.; Powers, J. M.] Univ Notre Dame, Dept Aerosp & Mech Engn, Notre Dame, IN 46556 USA. [Aslam, T. D.] Los Alamos Natl Lab, Weapons Expt Div, Los Alamos, NM 87545 USA. RP Romick, CM (reprint author), Univ Notre Dame, Dept Aerosp & Mech Engn, Notre Dame, IN 46556 USA. EM cromick@nd.edu RI Powers, Joseph/A-7086-2013; OI Powers, Joseph/0000-0001-8694-8369; Aslam, Tariq/0000-0002-4263-0401 FU US Department of Energy FX The authors thank the US Department of Energy for support of this work. NR 58 TC 3 Z9 3 U1 1 U2 15 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0022-1120 EI 1469-7645 J9 J FLUID MECH JI J. Fluid Mech. PD APR PY 2015 VL 769 BP 154 EP 181 DI 10.1017/jfm.2015.114 PG 28 WC Mechanics; Physics, Fluids & Plasmas SC Mechanics; Physics GA CE5JP UT WOS:000351869100009 ER PT J AU Cavalcanti, IFA Carril, AF Penalba, C Grimm, AM Menendez, CG Sanchez, E Cherchi, A Sorensson, A Robledo, F Rivera, J Pantano, V Bettolli, LM Zaninelli, P Zamboni, L Tedeschi, RG Dominguez, M Ruscica, R Flach, R AF Cavalcanti, I. F. A. Carril, A. F. Penalba, C. Grimm, A. M. Menendez, C. G. Sanchez, E. Cherchi, A. Soerensson, A. Robledo, F. Rivera, J. Pantano, V. Bettolli, L. M. Zaninelli, P. Zamboni, L. Tedeschi, R. G. Dominguez, M. Ruscica, R. Flach, R. TI Precipitation extremes over La Plata Basin - Review and new results from observations and climate simulations SO JOURNAL OF HYDROLOGY LA English DT Article DE Precipitation extremes; La Plata Basin; South America; Large-scale features; Soil moisture; Model simulations ID SOUTHEASTERN SOUTH-AMERICA; ATLANTIC CONVERGENCE ZONE; SEA-SURFACE TEMPERATURE; LOW-LEVEL CIRCULATION; DIPOLE MODE EVENTS; EL-NINO; LARGE-SCALE; ATMOSPHERIC CIRCULATION; INTERANNUAL VARIATIONS; RAINFALL EVENTS AB Monthly and daily precipitation extremes over La Plata Basin (LPB) are analyzed in the framework of the CLARIS-LPB Project. A review of the studies developed during the project and results of additional research are presented and discussed. Specific aspects of analysis are focused on large-scale versus local processes impacts on the intensity and frequency of precipitation extremes over LPB, and on the assessment of specific wet and dry spell indices and their changed characteristics in future climate scenarios. The analysis is shown for both available observations of precipitation in the region and ad-hoc global and regional models experiments. The Pacific, Indian and Atlantic Oceans can all impact precipitation intensity and frequency over LPB. In particular, considering the Pacific sector, different types of ENSO events (i.e. canonical vs Modoki or East vs Central) have different influences. Moreover, model projections indicate an increase in the frequency of precipitation extremes over LPB during El Nino and La Nina events in future climate. Local forcings can also be important for precipitation extremes. Here, the feedbacks between soil moisture and extreme precipitation in LPB are discussed based on hydric conditions in the region and model sensitivity experiments. Concerning droughts, it was found that they were more frequent in the western than in the eastern sector of LPB during the period of 1962-2008. On the other hand, observations and model experiments agree in that the monthly wet extremes were more frequent than the dry extremes in the northern and southern LPB sectors during the period 1979-2001, with higher frequency in the south. (C) 2015 Elsevier B.V. All rights reserved. C1 [Cavalcanti, I. F. A.; Tedeschi, R. G.] CPTEC INPE, Sao Paulo, Brazil. [Penalba, C.; Menendez, C. G.; Robledo, F.; Rivera, J.; Pantano, V.; Bettolli, L. M.] UBA, FCEN, Dept Ciencias Atmosfera & Oceanos, Buenos Aires, DF, Argentina. [Penalba, C.; Flach, R.] Univ Fed Parana, BR-80060000 Curitiba, Parana, Brazil. [Sanchez, E.; Dominguez, M.] Univ Castilla La Mancha, E-13071 Ciudad Real, Spain. [Carril, A. F.; Menendez, C. G.; Soerensson, A.; Robledo, F.; Zaninelli, P.; Ruscica, R.] CIMA CONICET UBA, Buenos Aires, DF, Argentina. [Cherchi, A.] Ctr Euro Mediterraneo Cambiamenti Climatici, Bologna, Italy. [Cherchi, A.] Ist Nazl Geofis & Vulcanol, Bologna, Italy. [Zamboni, L.] Argonne Natl Lab, MCS Div, Argonne, IL 60439 USA. [Carril, A. F.; Penalba, C.; Menendez, C. G.; Soerensson, A.; Robledo, F.; Zaninelli, P.; Ruscica, R.] UMI IFAECI CNRS CONICET UBA, Buenos Aires, DF, Argentina. RP Cavalcanti, IFA (reprint author), CPTEC INPE, Rodovia Presidente Dutra,Km 40,Cachoeira Paulista, Sao Paulo, Brazil. EM iracema@cptec.inpe.br RI Sanchez, Enrique/L-5086-2014; Tedeschi, Renata/L-7279-2015; OI Sanchez, Enrique/0000-0002-7720-4437; Tedeschi, Renata/0000-0002-9312-0030; Rivera, Juan/0000-0001-7754-1612 FU European Community's Seventh Framework Programme FP7 [212492: CLARIS LPB]; CNPq; FAPESP FX The research leading to these results received funding from the European Community's Seventh Framework Programme FP7/2007-2013) under Grant Agreement No 212492: CLARIS LPB. A Europe-South America Network for Climate Change Assessment and Impact Studies in La Plata Basin. The first author is also grateful to CNPq and FAPESP for the research support. NR 110 TC 7 Z9 7 U1 0 U2 15 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-1694 EI 1879-2707 J9 J HYDROL JI J. Hydrol. PD APR PY 2015 VL 523 BP 211 EP 230 DI 10.1016/j.jhydrol.2015.01.028 PG 20 WC Engineering, Civil; Geosciences, Multidisciplinary; Water Resources SC Engineering; Geology; Water Resources GA CE6TS UT WOS:000351971700020 ER PT J AU Tran, AP Bogaert, P Wiaux, F Vanclooster, M Lambot, S AF Tran, Anh Phuong Bogaert, Patrick Wiaux, Francois Vanclooster, Mamik Lambot, Sebastien TI High-resolution space-time quantification of soil moisture along a hillslope using joint analysis of ground penetrating radar and frequency domain reflectometry data SO JOURNAL OF HYDROLOGY LA English DT Article DE Soil moisture; Ground-penetrating radar; Space-time variability; Bayesian data fusion; Temporal stability analysis ID WAVE-FORM INVERSION; WATER-CONTENT; NEAR-FIELD; ELECTROMAGNETIC INDUCTION; HYDRAULIC-PROPERTIES; MAXWELLS EQUATIONS; GPR; ANTENNA; RECONSTRUCTION; CONDUCTIVITY AB We combined ground-penetrating radar (GPR) and frequency domain reflectometry (FDR) to assess the space-time variability of soil moisture along a hillslope. Time-lapse GPR and FDR measurements were conducted weekly during the period 23/03-08/06/2011 along a cultivated hillslope in the Belgian loam belt. A full-wave GPR model, a soil dielectric mixing model and the Debye equation were combined to directly estimate soil moisture from GPR measurements. Measured GPR data were well reproduced by the full-wave GPR model, resulting in a relatively good agreement between the GPR and FDR-derived soil moisture. Subsequently, we merged the soil moisture obtained from both techniques in a data fusion framework and we investigated its spatial and temporal variability. The results indicate that there was a high correlation between the spatial variability of soil moisture and topography as well as between its temporal variability and rainfall. A temporal stability analysis showed that soil moisture at the footslope is higher and more stable than that at the summits and backslopes. The proposed approach appears to be promising for assessing soil moisture at the hillslope scale with a relatively high space-time resolution. (C)) 2015 Elsevier B.V. All rights reserved. C1 [Tran, Anh Phuong; Bogaert, Patrick; Wiaux, Francois; Vanclooster, Mamik; Lambot, Sebastien] Catholic Univ Louvain, Earth & Life Inst, Louvain, Belgium. RP Tran, AP (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. EM aptran@lbl.gov RI Tran, Anh Phuong/G-1911-2015 OI Tran, Anh Phuong/0000-0002-7703-6621 FU FNRS (Fonds National de la Recherche Scientifique, Belgium); Belgian Science Policy Office in the frame of the Research Program for Earth Observation Stereo II-project (SENSAR) [SR/00/159]; Universite catholique de Louvain (Belgium) FX This work was funded by the FNRS (Fonds National de la Recherche Scientifique, Belgium), the Belgian Science Policy Office in the frame of the Research Program for Earth Observation Stereo II-project SR/00/159 (SENSAR), and Universite catholique de Louvain (Belgium). NR 51 TC 7 Z9 7 U1 7 U2 36 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-1694 EI 1879-2707 J9 J HYDROL JI J. Hydrol. PD APR PY 2015 VL 523 BP 252 EP 261 DI 10.1016/j.jhydrol.2015.01.065 PG 10 WC Engineering, Civil; Geosciences, Multidisciplinary; Water Resources SC Engineering; Geology; Water Resources GA CE6TS UT WOS:000351971700023 ER PT J AU Song, XM Zhang, JY Zhan, CS Xuan, YQ Ye, M Xu, CG AF Song, Xiaomeng Zhang, Jianyun Zhan, Chesheng Xuan, Yunqing Ye, Ming Xu, Chonggang TI Global sensitivity analysis in hydrological modeling: Review of concepts, methods, theoretical framework, and applications SO JOURNAL OF HYDROLOGY LA English DT Review DE Global method; Hydrological model; Parameter optimization; Sensitivity analysis; Uncertainty analysis ID COMPLEX ENVIRONMENTAL-MODEL; DISTRIBUTED WATERSHED MODELS; ARTIFICIAL NEURAL-NETWORK; GROUNDWATER-FLOW SYSTEM; RAINFALL-RUNOFF MODELS; UNCERTAINTY ANALYSIS; PARAMETER SENSITIVITY; MORRIS METHOD; IDENTIFIABILITY ANALYSIS; CORRELATED PARAMETERS AB Sensitivity analysis (SA) aims to identify the key parameters that affect model performance and it plays important roles in model parameterization, calibration, optimization, and uncertainty quantification. However, the increasing complexity of hydrological models means that a large number of parameters need to be estimated. To better understand how these complex models work, efficient SA methods should be applied before the application of hydrological modeling. This study provides a comprehensive review of global SA methods in the field of hydrological modeling. The common definitions of SA and the typical categories of SA methods are described. A wide variety of global SA methods have been introduced to provide a more efficient evaluation framework for hydrological modeling. We review, analyze, and categorize research into global SA methods and their applications, with an emphasis on the research accomplished in the hydrological modeling field. The advantages and disadvantages are also discussed and summarized. An application framework and the typical practical steps involved in SA for hydrological modeling are outlined. Further discussions cover several important and often overlooked topics, including the relationship between parameter identification, uncertainty analysis, and optimization in hydrological modeling, how to deal with correlated parameters, and time-varying SA. Finally, some conclusions and guidance recommendations on SA in hydrological modeling are provided, as well as a list of important future research directions that may facilitate more robust analyses when assessing hydrological modeling performance. (C) 2015 Elsevier B.V. All rights reserved. C1 [Song, Xiaomeng; Zhang, Jianyun] Nanjing Hydraul Res Inst, State Key Lab Hydrol Water Resources & Hydraul En, Nanjing 210029, Jiangsu, Peoples R China. [Song, Xiaomeng; Zhang, Jianyun] Res Ctr Climate Change, Minist Water Resources, Nanjing 210029, Jiangsu, Peoples R China. [Zhan, Chesheng] Chinese Acad Sci, Inst Geog Sci & Nat Resource Res, Key Lab Water Cycle & Related Land Surface Proc, Beijing 100101, Peoples R China. [Xuan, Yunqing] Swansea Univ, Coll Engn, Swansea SA2 8PP, W Glam, Wales. [Ye, Ming] Florida State Univ, Dept Comp Sci, Tallahassee, FL 32306 USA. [Xu, Chonggang] Los Alamos Natl Lab, Earth & Environm Sci Div, Los Alamos, NM 87545 USA. [Song, Xiaomeng] China Univ Min & Technol, Sch Resources & Geosci, Xuzhou 221116, Peoples R China. RP Song, XM (reprint author), Nanjing Hydraul Res Inst, Hydrol & Water Resources Dept, 225 Guangzhou Rd, Nanjing 210029, Jiangsu, Peoples R China. EM xmsong@nhri.cn; jyzhang@nhri.cn; zhancs2006@gmail.com; Y.Xuan@swansea.ac.uk; mye@fsu.edu; xuchongang@gmail.com RI Ye, Ming/A-5964-2008; OI Xu, Chonggang/0000-0002-0937-5744; Xuan, Yunqing/0000-0003-2736-8625 FU National Natural Science Foundation of China [41330854]; Postgraduate Dissertation Foundation of Nanjing Hydraulic Research Institute [LB51302]; National Basic Research Program of China ("973" Program) [2010CB951103, 2015CB452701]; Los Almas National Laboratory LDRD program FX We thank the editor and associate editor, the two anonymous reviewers for highly constructive comments and suggestions, which contributed significantly to improvement of this manuscript. The work was supported by the National Natural Science Foundation of China (Grant No. 41330854), the Postgraduate Dissertation Foundation of Nanjing Hydraulic Research Institute (LB51302), the National Basic Research Program of China ("973" Program) (Grant Nos. 2010CB951103 and 2015CB452701). We also give our grateful to the International Science Editing Ltd for their language editing. The work was also partly supported by Los Almas National Laboratory LDRD program. NR 197 TC 20 Z9 20 U1 15 U2 95 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-1694 EI 1879-2707 J9 J HYDROL JI J. Hydrol. PD APR PY 2015 VL 523 BP 739 EP 757 DI 10.1016/j.jhydrol.2015.02.013 PG 19 WC Engineering, Civil; Geosciences, Multidisciplinary; Water Resources SC Engineering; Geology; Water Resources GA CE6TS UT WOS:000351971700061 ER PT J AU Landau, SM Fero, A Baker, SL Koeppe, R Mintun, M Chen, KW Reiman, EM Jagust, WJ AF Landau, Susan M. Fero, Allison Baker, Suzanne L. Koeppe, Robert Mintun, Mark Chen, Kewei Reiman, Eric M. Jagust, William J. TI Measurement of Longitudinal beta-Amyloid Change with F-18-Florbetapir PET and Standardized Uptake Value Ratios SO JOURNAL OF NUCLEAR MEDICINE LA English DT Article DE amyloid; Alzheimer's disease; PET imaging ID MILD COGNITIVE IMPAIRMENT; PITTSBURGH COMPOUND-B; FLORBETAPIR F 18; ALZHEIMERS-DISEASE; DEPOSITION; QUANTIFICATION; RADIOTRACERS; DECLINE AB The accurate measurement of beta-amyloid (A beta) change using amyloid PET imaging is important for Alzheimer disease research and clinical trials but poses several unique challenges. In particular, reference region measurement instability may lead to spurious changes in cortical regions of interest. To optimize our ability to measure F-18-florbetapir longitudinal change, we evaluated several candidate regions of interest and their influence on cortical florbetapir change over a 2-y period in participants from the Alzheimer Disease Neuroimaging Initiative (ADNI). Methods: We examined the agreement in cortical florbetapir change detected using 6 candidate reference regions (cerebellar gray matter, whole cerebellum, brain stem/pons, eroded subcortical white matter [WM], and 2 additional combinations of these regions) in 520 ADNI subjects. We used concurrent cerebrospinal fluid A beta(1-42) measurements to identify subgroups of ADNI subjects expected to remain stable over follow-up (stable A beta group; n = 14) and subjects expected to increase (increasing A beta group; n = 91). We then evaluated reference regions according to whether cortical change was minimal in the stable A beta group and cortical retention increased in the increasing A beta group. Results: There was poor agreement across reference regions in the amount of cortical change observed across all 520 ADNI subjects. Within the stable A beta group, however, cortical florbetapir change was 1%-2% across all reference regions, indicating high consistency. In the increasing A beta group, cortical increases were significant with all reference regions. Reference regions containing WM (as opposed to cerebellum or pons) enabled detection of cortical change that was more physiologically plausible and more likely to increase over time. Conclusion: Reference region selection has an important influence on the detection of florbetapir change. Compared with cerebellum or pons alone, reference regions that included subcortical WM resulted in change measurements that are more accurate. In addition, because use of WM-containing reference regions involves dividing out cortical signal contained in the reference region (via partial-volume effects), use of these WM-containing regions may result in more conservative estimates of actual change. Future analyses using different tracers, tracer-kinetic-models, pipelines, and comparisons with other biomarkers will further optimize our ability to accurately measure A beta changes over time. C1 [Landau, Susan M.; Jagust, William J.] Univ Calif Berkeley, Helen Wills Neurosci Inst, Berkeley, CA 94720 USA. [Landau, Susan M.; Fero, Allison; Baker, Suzanne L.; Jagust, William J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. [Koeppe, Robert] Univ Michigan, Dept Radiol, Ann Arbor, MI 48109 USA. [Mintun, Mark] Avid Radiopharmaceut Inc, Philadelphia, PA USA. [Chen, Kewei; Reiman, Eric M.] Banner Alzheimers Inst, Phoenix, AZ USA. RP Landau, SM (reprint author), Univ Calif Berkeley, 118 Barker Hall,MC 3190, Berkeley, CA 94720 USA. EM slandau@berkeley.edu FU ADNI (National Institutes of Health) [U01 AG024904]; DOD ADNI (Department of Defense) [W81XWH-12-2-0012]; National Institute on Aging; National Institute of Biomedical Imaging and Bioengineering; Alzheimer's Association; Alzheimer's Drug Discovery Foundation; Araclon Biotech; BioClinica, Inc.; Biogen Idec Inc.; Bristol-Myers Squibb Company; Eisai Inc.; Elan Pharmaceuticals, Inc.; Eli Lilly and Company; EuroImmun; F. Hoffmann-La Roche Ltd.; Genentech, Inc.; Fujirebio; GE Healthcare; IXICO Ltd.; Janssen Alzheimer Immunotherapy Research & Development, LLC; Johnson & Johnson Pharmaceutical Research & Development LLC; Medpace, Inc.; Merck Co., Inc.; Meso Scale Diagnostics, LLC; NeuroRx Research; Neurotrack Technologies; Novartis Pharmaceuticals Corporation; Pfizer Inc.; Piramal Imaging; Servier; Synarc Inc.; Takeda Pharmaceutical Company; Canadian Institutes of Rev December 5, 2013 Health Research; Avid Radiopharmaceuticals; Genentech; Novartis FX The costs of publication of this article were defrayed in part by the payment of page charges. Therefore, and solely to indicate this fact, this article is hereby marked "advertisement" in accordance with 18 USC section 1734. Data collection and sharing for this project was funded by the ADNI (National Institutes of Health grant U01 AG024904) and DOD ADNI (Department of Defense award number W81XWH-12-2-0012). ADNI is funded by the National Institute on Aging and the National Institute of Biomedical Imaging and Bioengineering and through generous contributions from the following: Alzheimer's Association; Alzheimer's Drug Discovery Foundation; Araclon Biotech; BioClinica, Inc.; Biogen Idec Inc.; Bristol-Myers Squibb Company; Eisai Inc.; Elan Pharmaceuticals, Inc.; Eli Lilly and Company; EuroImmun; F. Hoffmann-La Roche Ltd. and its affiliated company Genentech, Inc.; Fujirebio; GE Healthcare; IXICO Ltd.; Janssen Alzheimer Immunotherapy Research & Development, LLC; Johnson & Johnson Pharmaceutical Research & Development LLC; Medpace, Inc.; Merck & Co., Inc.; Meso Scale Diagnostics, LLC; NeuroRx Research; Neurotrack Technologies; Novartis Pharmaceuticals Corporation; Pfizer Inc.; Piramal Imaging; Servier; Synarc Inc.; and Takeda Pharmaceutical Company. The Canadian Institutes of Rev December 5, 2013 Health Research is providing funds to support ADNI clinical sites in Canada. Private sector contributions are facilitated by the Foundation for the National Institutes of Health (www.fnih.org). The grantee organization is the Northern California Institute for Research and Education, and the study is coordinated by the Alzheimer's Disease Cooperative Study at the University of California, San Diego. ADNI data are disseminated by the Laboratory for Neuro Imaging at the University of Southern California. Susan M. Landau has previously consulted for Genentech, Avid Radiopharmaceuticals, Inc., Janssen Alzheimer Immunotherapy, and Biogen Idec. Allison Fero, Suzanne L. Baker, and Kewei Chen have nothing to declare. Eric M. Reiman has been a paid advisor to AstraZeneca, Cerespir, Eisai, Eli Lilly, Novartis, Sanofie, and Takeda. He and his colleague have received research support from Avid Radiopharmaceuticals, Genentech, and Novartis. Mark Mintun is an employee of Avid Radiopharmaceuticals, Inc. William J. Jagust collaborates with Avid Radiopharmaceuticals, Inc., through participation in the ADNI. He is currently a consultant to Genentech/Banner Alzheimer Institute and Synarc. NR 27 TC 19 Z9 19 U1 1 U2 5 PU SOC NUCLEAR MEDICINE INC PI RESTON PA 1850 SAMUEL MORSE DR, RESTON, VA 20190-5316 USA SN 0161-5505 EI 1535-5667 J9 J NUCL MED JI J. Nucl. Med. PD APR PY 2015 VL 56 IS 4 BP 567 EP 574 DI 10.2967/jnumed.114.148981 PG 8 WC Radiology, Nuclear Medicine & Medical Imaging SC Radiology, Nuclear Medicine & Medical Imaging GA CE9NL UT WOS:000352170600040 PM 25745095 ER PT J AU Biegon, A Alexoff, DL Kim, SW Logan, J Pareto, D Schlyer, D Wang, GJ Fowler, JS AF Biegon, Anat Alexoff, David L. Kim, Sung Won Logan, Jean Pareto, Deborah Schlyer, David Wang, Gene-Jack Fowler, Joanna S. TI Aromatase Imaging with [N-Methyl-C-11]Vorozole PET in Healthy Men and Women SO JOURNAL OF NUCLEAR MEDICINE LA English DT Article DE vorozole; aromatase inhibitors; PET; biodistribution; dosimetry ID IN-VIVO; CYTOCHROME-P450 AROMATASE; BRAIN AROMATASE; CANCER; CYP19; EXPRESSION; INHIBITORS; PROMOTERS; LETROZOLE; GENE AB Aromatase, the last and obligatory enzyme catalyzing estrogen biosynthesis from androgenic precursors, can be labeled in vivo with C-11-vorozole. Aromatase inhibitors are widely used in breast cancer and other endocrine conditions. The present study aimed to provide baseline information defining aromatase distribution in healthy men and women, against which its perturbation in pathologic situations can be studied. Methods: C-11-vorozole (111-296 MBq/subject) was injected intravenously in 13 men and 20 women (age range, 23-67 y). PET data were acquired over a 90-min period. Each subject had 4 scans, 2 per day separated by 2-6 wk, including brain and torso or pelvis scans. Young women were scanned at 2 discrete phases of the menstrual cycle (midcycle and late luteal). Men and postmenopausal women were also scanned after pretreatment with a clinical dose of the aromatase inhibitor letrozole. Time-activity curves were obtained, and standardized uptake values (SUV) were calculated for major organs including brain, heart, lungs, liver, kidneys, spleen, muscle, bone, and male and female reproductive organs (penis, testes, uterus, ovaries). Organ and whole-body radiation exposures were calculated using OLINDA software. Results: Liver uptake was higher than uptake in any other organ but was not blocked by pretreatment with letrozole. Mean SUVs were higher in men than in women, and brain uptake was blocked by letrozole. Male brain SUVs were also higher than SUVs in any other organ (ranging from 0.48 +/- 0.05 in lungs to 1.5 +/- 0.13 in kidneys). Mean ovarian SUVs (3.08 +/- 0.7) were comparable to brain levels and higher than in any other organ. Furthermore, ovarian SUVs in young women around the time of ovulation (midcycle) were significantly higher than those measured in the late luteal phase, whereas aging and cigarette smoking reduced C-11-vorozole uptake. Conclusion: PET with C-11-vorozole is useful for assessing physiologic changes in estrogen synthesis capacity in the human body. Baseline levels in breasts, lungs, and bones are low, supporting further investigation of this tracer as a new tool for detection of aromatase-overexpressing primary tumors or metastases in these organs and optimization of treatment in cancer and other disorders in which aromatase inhibitors are useful. C1 [Biegon, Anat] SUNY Stony Brook, Sch Med, Stony Brook, NY 11794 USA. [Biegon, Anat; Alexoff, David L.; Schlyer, David; Fowler, Joanna S.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Kim, Sung Won; Wang, Gene-Jack] Natl Inst Alcoholism & Alcohol Abuse, Bethesda, MD USA. [Logan, Jean] NYU, Langone Med Ctr, New York, NY USA. [Pareto, Deborah] Univ Autonoma Barcelona, Inst Rec Hosp Univ Vall Hebron, E-08193 Barcelona, Spain. [Fowler, Joanna S.] SUNY Stony Brook, Stony Brook, NY 11794 USA. RP Biegon, A (reprint author), SUNY Stony Brook, Dept Neurol, Stony Brook, NY 11794 USA. EM anat.biegon@stonybrook.edu FU U.S. Department of Energy OBER [DE-AC02-98CH10886]; NIH [K05DA020001, 1R21EB012707]; National Institute of Alcohol Abuse and Alcoholism FX The costs of publication of this article were defrayed in part by the payment of page charges. Therefore, and solely to indicate this fact, this article is hereby marked "advertisement" in accordance with 18 USC section 1734. This study was performed at Brookhaven National Laboratory using the infrastructure support of the U.S. Department of Energy OBER (DE-AC02-98CH10886). The study was supported in part by NIH grants K05DA020001 and 1R21EB012707 and by the National Institute of Alcohol Abuse and Alcoholism. No other potential conflict of interest relevant to this article was reported. NR 35 TC 3 Z9 3 U1 0 U2 8 PU SOC NUCLEAR MEDICINE INC PI RESTON PA 1850 SAMUEL MORSE DR, RESTON, VA 20190-5316 USA SN 0161-5505 EI 1535-5667 J9 J NUCL MED JI J. Nucl. Med. PD APR PY 2015 VL 56 IS 4 BP 580 EP 585 DI 10.2967/jnumed.114.150383 PG 6 WC Radiology, Nuclear Medicine & Medical Imaging SC Radiology, Nuclear Medicine & Medical Imaging GA CE9NL UT WOS:000352170600042 PM 25698781 ER PT J AU Wang, JP Kouznetsova, TB Niu, ZB Ong, MT Klukovich, H Rheingold, AL Martinez, TJ Craig, SL AF Wang, Junpeng Kouznetsova, Tatiana B. Niu, Zhenbin Ong, Mitchell T. Klukovich, Hopem. Rheingold, Arnold L. Martinez, Todd J. Craig, Stephen L. TI Inducing and quantifying forbidden reactivity with single-molecule polymer mechanochemistry SO NATURE CHEMISTRY LA English DT Article ID ORBITAL-SYMMETRY; FORCE; RING; PATHWAYS; KINETICS; STRESS; BOND; STEREOMUTATION; CYCLOBUTENE; PREFERENCE AB Forbidden reactions, such as those that violate orbital symmetry effects as captured in the Woodward-Hoffmann rules, remain an ongoing challenge for experimental characterization, because when the competing allowed pathway is available the reactions are intrinsically difficult to trigger. Recent developments in covalent mechanochemistry have opened the door to activating otherwise inaccessible reactions. Here we report single-molecule force spectroscopy studies of three mechanically induced reactions along both their symmetry-allowed and symmetry-forbidden pathways, which enables us to quantify just how 'forbidden' each reaction is. To induce reactions on the similar to 0.1 s timescale of the experiments, the forbidden ring-opening reactions of benzocyclobutene, gem-difluorocyclopropane and gem-dichlorocyclopropane require approximately 130 pN less, 560 pN more and 1,000 pN more force, respectively, than their corresponding allowed analogues. The results provide the first experimental benchmarks for mechanically induced forbidden reactions, and in some cases suggest revisions to prior computational predictions. C1 [Wang, Junpeng; Kouznetsova, Tatiana B.; Niu, Zhenbin; Klukovich, Hopem.; Craig, Stephen L.] Duke Univ, Dept Chem, Durham, NC 27708 USA. [Ong, Mitchell T.] Lawrence Livermore Natl Lab, Div Mat Sci, Livermore, CA 94550 USA. [Rheingold, Arnold L.] Univ Calif San Diego, Dept Chem, La Jolla, CA 92093 USA. [Martinez, Todd J.] Stanford Univ, Dept Chem, Stanford, CA 94305 USA. RP Craig, SL (reprint author), Duke Univ, Dept Chem, Durham, NC 27708 USA. EM stephen.craig@duke.edu RI Wang, Junpeng/N-8082-2014; Craig, Stephen/D-3484-2011 OI Wang, Junpeng/0000-0002-4503-5026; Craig, Stephen/0000-0002-8810-0369 FU US Army Research Laboratory; US Army Research Office [W911NF-12-1-0337]; National Science Foundation Materials Interdisciplinary Research Teams [DMR-1122483]; US Department of Energy by the Lawrence Livermore National Laboratory [DE-ACS2-07NA27344] FX This material is based on work supported by the US Army Research Laboratory and the US Army Research Office under grant W911NF-12-1-0337. S.L.C. acknowledges partial support from the National Science Foundation Materials Interdisciplinary Research Teams (DMR-1122483). Part of this work was performed under the auspices of the US Department of Energy by the Lawrence Livermore National Laboratory under Contract DE-ACS2-07NA27344. The authors thank B. Akhremitchev for providing the original force-extension modelling code. NR 30 TC 30 Z9 30 U1 14 U2 96 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1755-4330 EI 1755-4349 J9 NAT CHEM JI Nat. Chem. PD APR PY 2015 VL 7 IS 4 BP 323 EP 327 DI 10.1038/NCHEM.2185 PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA CE3UY UT WOS:000351756200012 PM 25803470 ER PT J AU Ansoborlo, E Leggett, RW AF Ansoborlo, Eric Leggett, Richard Wayne TI Quantum caesium SO NATURE CHEMISTRY LA English DT Editorial Material C1 [Ansoborlo, Eric] French Alternat Energies & Atom Energy Commiss, Dept Radiochem & Proc, Marcoule Ctr, F-30207 Bagnols Sur Ceze, France. [Leggett, Richard Wayne] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Ansoborlo, E (reprint author), French Alternat Energies & Atom Energy Commiss, Dept Radiochem & Proc, Marcoule Ctr, F-30207 Bagnols Sur Ceze, France. EM eric.ansoborlo@cea.fr; leggettrw@ornl.gov RI Eric, Ansoborlo/N-1809-2015 OI Eric, Ansoborlo/0000-0003-0523-3738 NR 3 TC 0 Z9 0 U1 5 U2 11 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1755-4330 EI 1755-4349 J9 NAT CHEM JI Nat. Chem. PD APR PY 2015 VL 7 IS 4 BP 360 EP 360 DI 10.1038/nchem.2215 PG 1 WC Chemistry, Multidisciplinary SC Chemistry GA CE3UY UT WOS:000351756200019 PM 25803477 ER PT J AU Smith, SJ Edmonds, J Harlin, CA Mundra, A Calvin, K AF Smith, Steven J. Edmonds, James Harlin, Corinne A. Mundra, Anupriya Calvin, Katherine TI Near-term acceleration in the rate of temperature change SO NATURE CLIMATE CHANGE LA English DT Article ID SULFUR-DIOXIDE EMISSIONS; CLIMATE-CHANGE IMPACTS; MODEL; STABILIZATION; PREDICTION; REASONS AB Anthropogenically driven climate changes, which are expected to impact human and natural systems, are often expressed in terms of global-mean temperature(1). The rate of climate change over multi-decadal scales is also important, with faster rates of change resulting in less time for human and natural systems to adapt(2). We find that present trends in greenhouse-gas and aerosol emissions are now moving the Earth system into a regime in terms of multi-decadal rates of change that are unprecedented for at least the past 1,000 years. The rate of global-mean temperature increase in the CMIP5(ref.3) archive over 40-year periods increases to 0.25 +/- 0.05 degrees C (1 sigma) per decade by 2020, an average greater than peak rates of change during the previous one to two millennia. Regional rates of change in Europe, North America and the Arctic are higher than the global average. Research on the impacts of such near-term rates of change is urgently needed. C1 [Smith, Steven J.; Edmonds, James; Harlin, Corinne A.; Mundra, Anupriya; Calvin, Katherine] Pacific NW Natl Lab, Joint Global Change Res Inst, College Pk, MD 20740 USA. RP Smith, SJ (reprint author), Pacific NW Natl Lab, Joint Global Change Res Inst, 5825 Univ Res Court,Suite 3500, College Pk, MD 20740 USA. EM ssmith@pnnl.gov OI Calvin, Katherine/0000-0003-2191-4189 FU Integrated Assessment Research Program in the Office of Science of the US Department of Energy; PNNL Global Technology Strategy Program; DOE [DE-AC05-76RL01830] FX The authors are grateful for research support provided by the Integrated Assessment Research Program in the Office of Science of the US Department of Energy and the PNNL Global Technology Strategy Program. The Pacific Northwest National Laboratory is operated for DOE by Battelle Memorial Institute under contract DE-AC05-76RL01830. We acknowledge the World Climate Research Programme's Working Group on Coupled Modeling and the climate modelling groups (Supplementary Table 2) for producing and making available their model output. The US Department of Energy's Program for Climate Model Diagnosis and Intercomparison provides coordinating support for CMIP. The views and opinions expressed in this paper are those of the authors. The authors would like to thank J. Dooley and P. Applegate for helpful comments and J. Seibert for data analysis. NR 29 TC 18 Z9 19 U1 4 U2 26 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1758-678X EI 1758-6798 J9 NAT CLIM CHANGE JI Nat. Clim. Chang. PD APR PY 2015 VL 5 IS 4 BP 333 EP 336 PG 4 WC Environmental Sciences; Environmental Studies; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA CE5AM UT WOS:000351842100016 ER PT J AU Anderson, WW AF Anderson, William W. TI PLANETARY SCIENCE Iron fog of accretion SO NATURE GEOSCIENCE LA English DT News Item ID SILICATE; EARTH; METAL C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Anderson, WW (reprint author), Los Alamos Natl Lab, MS P952, Los Alamos, NM 87545 USA. EM wvanderson@lanl.gov NR 9 TC 0 Z9 0 U1 1 U2 3 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 1752-0894 EI 1752-0908 J9 NAT GEOSCI JI Nat. Geosci. PD APR PY 2015 VL 8 IS 4 BP 256 EP 257 DI 10.1038/ngeo2391 PG 3 WC Geosciences, Multidisciplinary SC Geology GA CE8HK UT WOS:000352082300011 ER PT J AU Kraus, RG Root, S Lemke, RW Stewart, ST Jacobsen, SB Mattsson, TR AF Kraus, Richard G. Root, Seth Lemke, Raymond W. Stewart, Sarah T. Jacobsen, Stein B. Mattsson, Thomas R. TI Impact vaporization of planetesimal cores in the late stages of planet formation SO NATURE GEOSCIENCE LA English DT Article ID LATE ACCRETION; THERMOPHYSICAL PROPERTIES; GIANT IMPACT; LIQUID-IRON; EARTH; MOON; CONSTRAINTS; SILICATE; SYSTEM; METAL AB Differentiated planetesimals delivered iron-rich material to the Earth and Moon in high-velocity collisions at the end stages of accretion. The physical process of accreting this late material has implications for the geochemical evolution of the Earth-Moon system and the timing of Earth's core formation(1-3). However, the fraction of a planetesimal's iron core that is vaporized by an impact is not well constrained as a result of iron's poorly understood equation of state. Here we determine the entropy in the shock state of iron using a recently developed shock-and-release experimental technique implemented at the Sandia National Laboratory Z-Machine. We find that the shock pressure required to vaporize iron is 507 (+65, -85) GPa, which is lower than the previous theoretical estimate(4) (887 GPa) and readily achieved by the high velocity impacts at the end stages of accretion. We suggest that impact vaporization of planetesimal cores dispersed iron over the surface of the growing Earth and enhanced chemical equilibration with the mantle. In addition, the comparatively low abundance of highly siderophile elements in the lunar mantle and crust(5-8) can be explained by the retention of a smaller fraction of vaporized planetesimal iron on the Moon, as compared with Earth, due to the Moon's lower escape velocity. C1 [Kraus, Richard G.; Stewart, Sarah T.; Jacobsen, Stein B.] Harvard Univ, Dept Earth & Planetary Sci, Cambridge, MA 02138 USA. [Kraus, Richard G.] Lawrence Livermore Natl Lab, Shock Phys Grp, Livermore, CA 94551 USA. [Root, Seth] Sandia Natl Labs, Dynam Mat Properties Grp, Albuquerque, NM 87185 USA. [Lemke, Raymond W.] Sandia Natl Labs, High Energy Dens Phys Theory, Albuquerque, NM 87185 USA. [Stewart, Sarah T.] Univ Calif Davis, Dept Earth & Planetary Sci, Davis, CA 95616 USA. RP Kraus, RG (reprint author), Harvard Univ, Dept Earth & Planetary Sci, 20 Oxford St, Cambridge, MA 02138 USA. EM kraus4@llnl.gov OI Stewart, Sarah/0000-0001-9606-1593 FU US Department of Energy's National Nuclear Securities Administration [DE-AC04-94AL85000]; Department of Energy National Nuclear Security Administration [DE-NA0001804] FX Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Liockheed Martin Corporation, for the US Department of Energy's National Nuclear Securities Administration under Contract No. DE-AC04-94AL85000. This work was conducted under the Sandia Z Fundamental Science Program and supported by the Department of Energy National Nuclear Security Administration under Award Number DE-NA0001804. This work was improved by helpful discussions with R. Walker, D. Flicker, D. Swift, M. Knudson and M. Desjarlais. We thank S. Raymond, K. Walsh and D. O'Brien for the impact data from their N-body simulations. Iron samples were provided by B. Jensen of Los Alamos National Laboratory. NR 30 TC 14 Z9 14 U1 6 U2 35 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 1752-0894 EI 1752-0908 J9 NAT GEOSCI JI Nat. Geosci. PD APR PY 2015 VL 8 IS 4 BP 269 EP 272 DI 10.1038/NGEO2369 PG 4 WC Geosciences, Multidisciplinary SC Geology GA CE8HK UT WOS:000352082300015 ER PT J AU Wullschleger, SD Warren, JM Thornton, PE AF Wullschleger, Stan D. Warren, Jeffrey M. Thornton, Peter E. TI Leaf respiration (GlobResp) - global trait database supports Earth System Models SO NEW PHYTOLOGIST LA English DT Editorial Material DE covariation; dynamic vegetation; global change; modeling; physiology ID FOLIAR RESPIRATION; VEGETATION MODEL; DARK RESPIRATION; TEMPERATURE; ACCLIMATION; DYNAMICS; TUNDRA C1 [Wullschleger, Stan D.; Warren, Jeffrey M.; Thornton, Peter E.] Oak Ridge Natl Lab, Div Environm Sci, Climate Change Sci Inst, Oak Ridge, TN 37831 USA. RP Wullschleger, SD (reprint author), Oak Ridge Natl Lab, Div Environm Sci, Climate Change Sci Inst, POB 2008, Oak Ridge, TN 37831 USA. EM wullschlegsd@ornl.gov RI Warren, Jeffrey/B-9375-2012; Thornton, Peter/B-9145-2012; Wullschleger, Stan/B-8297-2012 OI Warren, Jeffrey/0000-0002-0680-4697; Thornton, Peter/0000-0002-4759-5158; Wullschleger, Stan/0000-0002-9869-0446 NR 14 TC 1 Z9 1 U1 2 U2 20 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0028-646X EI 1469-8137 J9 NEW PHYTOL JI New Phytol. PD APR PY 2015 VL 206 IS 2 BP 483 EP 485 DI 10.1111/nph.13364 PG 3 WC Plant Sciences SC Plant Sciences GA CE3QD UT WOS:000351742300001 PM 25800614 ER PT J AU Bahn, CB Majumdar, S AF Bahn, Chi Bum Majumdar, Saurin TI Crack growth of throughwall flaw in Alloy 600 tube during leak testing SO NUCLEAR ENGINEERING AND DESIGN LA English DT Article DE Steam generator tube; Throughwall crack; Accident-induced leakage; Fatigue crack growth; Jet/structure interaction ID CONSTANT-PRESSURE; BEHAVIOR; ABNORMALITY; SPECIMENS; CURVES AB We examined the issue of whether crack growth in a full thickness material can occur in a leaking crack. A series of leak tests was conducted at a room temperature and constant pressure (17.3 MPa) with Alloy 600 tube specimens containing a tight rectangular throughwall axial fatigue crack. To exclude a potential pulsation effect by a high pressure pump, the test water was pressurized by using high pressure nitrogen gas. Fractography showed that crack growth in the full thickness material can occur in the leaking crack by two mechanisms: time-dependent plasticity at the crack tip and fatigue induced by jet/structure interaction. The threshold leak rate at which the jet/structure interaction was triggered was between 1.3 and 3.3 L/min for the specific heat of the Alloy 600 tube tested. (C) 2014 Elsevier B.V. All rights reserved. C1 [Bahn, Chi Bum] Pusan Natl Univ, Busan 609735, South Korea. [Majumdar, Saurin] Argonne Natl Lab, Lemont, IL 60439 USA. RP Bahn, CB (reprint author), Pusan Natl Univ, 2 Busandaehak Ro 63beon Gil, Busan 609735, South Korea. EM bahn@pusan.ac.kr FU U.S. Nuclear Regulatory Commission and Electric Power Research Institute; Pusan National University Research Grant; Specialization Project Research Grant by the Pusan National University; International Collaborative Energy Technology R&D Program of the Korea Institute of Energy Technology Evaluation and Planning (KETEP) from the Ministry of Trade Industry & Energy, Republic of Korea [20138530030010] FX The authors are grateful to Dr. Jangyul Park of ANL, to Helen Cothron of Electric Power Research Institute, to Jim Begley, and to Charles Harris of Nuclear Regulatory Commission. The experimental work was supported by U.S. Nuclear Regulatory Commission and Electric Power Research Institute. This work was supported by Pusan National University Research Grant, 2013 and the 2013 Specialization Project Research Grant by the Pusan National University. This work was also supported by the International Collaborative Energy Technology R&D Program of the Korea Institute of Energy Technology Evaluation and Planning (KETEP), granted financial resource from the Ministry of Trade Industry & Energy, Republic of Korea (no. 20138530030010). NR 18 TC 0 Z9 0 U1 1 U2 2 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0029-5493 J9 NUCL ENG DES JI Nucl. Eng. Des. PD APR 1 PY 2015 VL 284 BP 106 EP 114 DI 10.1016/j.nucengdes.2014.12.015 PG 9 WC Nuclear Science & Technology SC Nuclear Science & Technology GA CE6RW UT WOS:000351966800013 ER PT J AU Jiang, R Mou, DX Liu, C Zhao, X Yao, YX Ryu, H Petrovic, C Ho, KM Kaminski, A AF Jiang, Rui Mou, Daixing Liu, Chang Zhao, Xin Yao, Yongxin Ryu, Hyejin Petrovic, C. Ho, Kai-Ming Kaminski, Adam TI Electronic structure of Ce2RhIn8: A two-dimensional heavy-fermion system studied by angle-resolved photoemission spectroscopy SO PHYSICAL REVIEW B LA English DT Article ID AUGMENTED-WAVE METHOD; SUPERCONDUCTIVITY; POINTS AB We use angle-resolved photoemission spectroscopy (ARPES) to study the two-dimensional (2D) heavy-fermion superconductor, Ce2RhIn8. The Fermi surface is rather complicated and consists of several hole and electron pockets with one of the sheets displaying strong nesting properties with a q vector of (0.32, 0.32) pi/a. We do not observe k(z) dispersion of the Fermi sheets, which is consistent with the expected 2D character of the electronic structure. Comparison of the ARPES data to band-structure calculations suggests that a localized picture of the f electrons works best. While there is some agreement in the overall band dispersion and location of the Fermi sheets, the model does not reproduce all observed bands and is not completely accurate for those it does. Our data paves the way for improving the band-structure calculations and the general understanding of the transport and thermodynamical properties of this material. C1 [Jiang, Rui; Mou, Daixing; Zhao, Xin; Yao, Yongxin; Ho, Kai-Ming; Kaminski, Adam] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. [Jiang, Rui; Mou, Daixing; Zhao, Xin; Yao, Yongxin; Ho, Kai-Ming; Kaminski, Adam] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Liu, Chang] South Univ Sci & Technol China, Shenzhen 518055, Peoples R China. [Ryu, Hyejin; Petrovic, C.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. [Ryu, Hyejin; Petrovic, C.] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. RP Jiang, R (reprint author), Iowa State Univ, Ames Lab, Ames, IA 50011 USA. RI Petrovic, Cedomir/A-8789-2009 OI Petrovic, Cedomir/0000-0001-6063-1881 FU US Department of Energy, Office of Science, Basic Energy Sciences, Materials Science and Engineering Division; US Department of Energy (DOE) by Iowa State University [DE-AC02-07CH11358]; Office of Science, Office of Basic Energy Sciences, of the US DOE [DE-AC02-05CH11231]; US DOE [DE-AC02-98CH10886] FX We would like to thank Bruce Harmon for useful discussions. This work was supported by the US Department of Energy, Office of Science, Basic Energy Sciences, Materials Science and Engineering Division. Ames Laboratory is operated for the US Department of Energy (DOE) by Iowa State University under Contract No. DE-AC02-07CH11358 (ARPES measurements and data analysis). The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, of the US DOE under Contract No. DE-AC02-05CH11231. Work at Brookhaven was supported by the US DOE under Contract No. DE-AC02-98CH10886 (sample growth and characterization). NR 22 TC 4 Z9 4 U1 4 U2 21 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD APR 1 PY 2015 VL 91 IS 16 AR 165101 DI 10.1103/PhysRevB.91.165101 PG 5 WC Physics, Condensed Matter SC Physics GA CE8YG UT WOS:000352129400001 ER PT J AU Walton, T Betancourt, M Aliaga, L Altinok, O Bodek, A Bravar, A Budd, H Bustamante, MJ Butkevich, A Caicedo, DAM Carneiro, MF Castromonte, CM Christy, ME Chvojka, J da Motta, H Datta, M Devan, J Dytman, SA Diaz, GA Eberly, B Felix, J Fields, L Fine, R Fiorentini, GA Gago, AM Gallagher, H Gran, R Harris, DA Higuera, A Hurtado, K Kleykamp, J Kordosky, M Kulagin, SA Le, T Maher, E Manly, S Mann, WA Marshall, CM Mari, CM McFarland, KS McGivern, CL McGowan, AM Messerly, B Miller, J Mislivec, A Morfin, JG Mousseau, J Muhlbeier, T Naples, D Nelson, JK Norrick, A Osta, J Paolone, V Park, J Patrick, CE Perdue, GN Rakotondravohitra, L Ransome, RD Ray, H Ren, L Rodrigues, PA Ruterbories, D Schellman, H Schmitz, DW Simon, C Snider, FD Sobczyk, JT Salinas, CJS Tagg, N Tice, BG Valencia, E Wolcott, J Wospakrik, M Zavala, G Zhang, D Ziemer, BP AF Walton, T. Betancourt, M. Aliaga, L. Altinok, O. Bodek, A. Bravar, A. Budd, H. Bustamante, M. J. Butkevich, A. Caicedo, D. A. Martinez Carneiro, M. F. Castromonte, C. M. Christy, M. E. Chvojka, J. da Motta, H. Datta, M. Devan, J. Dytman, S. A. Diaz, G. A. Eberly, B. Felix, J. Fields, L. Fine, R. Fiorentini, G. A. Gago, A. M. Gallagher, H. Gran, R. Harris, D. A. Higuera, A. Hurtado, K. Kleykamp, J. Kordosky, M. Kulagin, S. A. Le, T. Maher, E. Manly, S. Mann, W. A. Marshall, C. M. Mari, C. Martin McFarland, K. S. McGivern, C. L. McGowan, A. M. Messerly, B. Miller, J. Mislivec, A. Morfin, J. G. Mousseau, J. Muhlbeier, T. Naples, D. Nelson, J. K. Norrick, A. Osta, J. Paolone, V. Park, J. Patrick, C. E. Perdue, G. N. Rakotondravohitra, L. Ransome, R. D. Ray, H. Ren, L. Rodrigues, P. A. Ruterbories, D. Schellman, H. Schmitz, D. W. Simon, C. Snider, F. D. Sobczyk, J. T. Salinas, C. J. Solano Tagg, N. Tice, B. G. Valencia, E. Wolcott, J. Wospakrik, M. Zavala, G. Zhang, D. Ziemer, B. P. CA MINERvA Collaboration TI Measurement of muon plus proton final states in nu(mu) interactions on hydrocarbon at < E-nu >=4.2 GeV SO PHYSICAL REVIEW D LA English DT Article ID NUCLEAR TARGETS; LEPTON SCATTERING; CROSS-SECTIONS; NEUTRINO; GENERATOR; PIONS; CC AB A study of charged-current muon neutrino scattering on hydrocarbon in which the final state includes a muon, at least one proton, and no pions is presented. Although this signature has the topology of neutrino quasielastic scattering from neutrons, the event sample contains contributions from quasielastic and inelastic processes where pions are absorbed in the nucleus. The analysis accepts events with muon production angles up to 70 degrees and proton kinetic energies greater than 110 MeV. The cross section, when based completely on hadronic kinematics, is well described by a relativistic Fermi gas nuclear model including the neutrino event generator modeling for inelastic processes and particle transportation through the nucleus. This is in contrast to the quasielastic cross section based on muon kinematics, which is best described by an extended model that incorporates multinucleon correlations. This measurement guides the formulation of a complete description of neutrino-nucleus interactions that encompasses the hadronic as well as the leptonic aspects of this process. C1 [Walton, T.; Christy, M. E.; Datta, M.] Hampton Univ, Dept Phys, Hampton, VA 23668 USA. [Betancourt, M.; Caicedo, D. A. Martinez; McFarland, K. S.; Morfin, J. G.; Osta, J.; Perdue, G. N.; Rakotondravohitra, L.; Schmitz, D. W.; Snider, F. D.; Sobczyk, J. T.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Aliaga, L.; Devan, J.; Nelson, J. K.; Norrick, A.; Zhang, D.] Coll William & Mary, Dept Phys, Williamsburg, VA 23187 USA. [Aliaga, L.; Bustamante, M. J.; Diaz, G. A.; Gago, A. M.] Pontificia Univ Catolica Peru, Dept Ciencias, Secc Fis, Lima 1761, Peru. [Altinok, O.; Mann, W. A.] Tufts Univ, Dept Phys, Medford, MA 02155 USA. [Bodek, A.; Budd, H.; Chvojka, J.; Fine, R.; Higuera, A.; Kleykamp, J.; Manly, S.; Marshall, C. M.; McFarland, K. S.; McGowan, A. M.; Mislivec, A.; Park, J.; Perdue, G. N.; Rodrigues, P. A.; Ruterbories, D.; Wolcott, J.] Univ Rochester, Rochester, NY 14610 USA. [Bravar, A.; Mari, C. Martin] Univ Geneva, Geneva, Switzerland. [Butkevich, A.; Kulagin, S. A.] Russian Acad Sci, Inst Nucl Res, Moscow 117312, Russia. [Caicedo, D. A. Martinez; Carneiro, M. F.; Castromonte, C. M.; da Motta, H.; Fiorentini, G. A.; Hurtado, K.; Muhlbeier, T.] Ctr Brasileiro Pesquisas Fis, BR-22290180 Rio De Janeiro, RJ, Brazil. [Dytman, S. A.; Eberly, B.; McGivern, C. L.; Messerly, B.; Naples, D.; Paolone, V.] Univ Pittsburgh, Dept Phys & Astron, Pittsburgh, PA 15260 USA. [Felix, J.; Higuera, A.; Valencia, E.; Zavala, G.] Univ Guanajuato, Guanajuato 36000, Mexico. [Fields, L.] Northwestern Univ, Evanston, IL 60208 USA. [Gran, R.] Univ Minnesota, Dept Phys, Duluth, MN 55812 USA. [Hurtado, K.; Salinas, C. J. Solano; Tice, B. G.] Univ Nacl Ingn, Lima 31139, Peru. [Le, T.; Ransome, R. D.] Rutgers State Univ, Piscataway, NJ 08854 USA. [Maher, E.] Massachusetts Coll Liberal Arts, North Adams, MA 01247 USA. [Miller, J.] Univ Tecn Federico Santa Maria, Dept Fis, Valparaiso, Chile. [Mousseau, J.; Ray, H.; Wospakrik, M.] Univ Florida, Dept Phys, Gainesville, FL 32611 USA. [Schmitz, D. W.] Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. [Simon, C.; Ziemer, B. P.] Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA. [Tagg, N.] Otterbein Univ, Dept Phys, Westerville, OH 43081 USA. RP Walton, T (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. RI Castromonte Flores, Cesar Manuel/O-6177-2014; Sobczyk, Jan/C-9761-2016; OI Castromonte Flores, Cesar Manuel/0000-0002-9559-3704; Schmitz, David/0000-0003-2165-7389 FU Fermi National Accelerator Laboratory under U.S. Department of Energy [DE-AC02-07CH11359]; United States National Science Foundation [PHY-0619727]; University of Rochester; NSF; DOE (USA); CAPES; CNPq (Brazil); CoNaCyT (Mexico); CONICYT (Chile); CONCYTEC; DGI-PUCP; IDI/IGI-UNI (Peru); Latin American Center for Physics (CLAF); Swiss National Science Foundation; RAS; Russian Ministry of Education and Science (Russia) FX This work was supported by the Fermi National Accelerator Laboratory under U.S. Department of Energy Contract No. DE-AC02-07CH11359 which included the MINERvA construction project. Construction support also was granted by the United States National Science Foundation under Grant No. PHY-0619727 and by the University of Rochester. Support for participating scientists was provided by NSF and DOE (USA) by CAPES and CNPq (Brazil), by CoNaCyT (Mexico), by CONICYT (Chile), by CONCYTEC, DGI-PUCP and IDI/IGI-UNI (Peru), by the Latin American Center for Physics (CLAF), by the Swiss National Science Foundation, and by RAS and the Russian Ministry of Education and Science (Russia). We thank the MINOS Collaboration for use of its near detector data. Finally, we thank the staff of Fermilab for support of the beam line and detector. NR 49 TC 16 Z9 16 U1 1 U2 5 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2470-0010 EI 2470-0029 J9 PHYS REV D JI Phys. Rev. D PD APR 1 PY 2015 VL 91 IS 7 AR 071301 DI 10.1103/PhysRevD.91.071301 PG 7 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA CE8YO UT WOS:000352130200001 ER PT J AU Baalrud, SD Scheiner, B Yee, B Hopkins, M Barnat, E AF Baalrud, Scott D. Scheiner, Brett Yee, Benjamin Hopkins, Matthew Barnat, Edward TI Extensions and applications of the Bohm criterion SO PLASMA PHYSICS AND CONTROLLED FUSION LA English DT Article; Proceedings Paper CT 17th International Congress on Plasma Physics CY SEP 15-19, 2014 CL Lisboa, PORTUGAL DE sheath; Bohm criterion; particle-in-cell ID LASER-INDUCED-FLUORESCENCE; PLASMA-SHEATH TRANSITION; FINITE ION TEMPERATURE; COLLISIONLESS PLASMA; BOUNDARY-CONDITIONS; ARGON DISCHARGE; EDGE PLASMAS; VELOCITY; SIMULATION; PRESHEATH AB The generalized Bohm criterion is revisited in the context of incorporating kinetic effects of the electron and ion distribution functions into the theory. The underlying assumptions and results of two different approaches are compared: the conventional 'kinetic Bohm criterion' and a fluid-moment hierarchy approach. The former is based on the asymptotic limit of an infinitely thin sheath (lambda(D)/l = 0), whereas the latter is based on a perturbative expansion of a sheath that is thin compared to the plasma (lambda(D)/l << 1). Here lambda(D) is the Debye length, which characterizes the sheath length scale, and l is a measure of the plasma or presheath length scale. The consequences of these assumptions are discussed in terms of how they restrict the class of distribution functions to which the resulting criteria can be applied. Two examples are considered to provide concrete comparisons between the two approaches. The first is a Tonks-Langmuir model including a warm ion source (Robertson 2009 Phys. Plasmas 16 103503). This highlights a substantial difference between the conventional kinetic theory, which predicts slow ions dominate at the sheath edge, and the fluid moment approach, which predicts slow ions have little influence. The second example considers planar electrostatic probes biased near the plasma potential using model equations and particle-in-cell simulations. This demonstrates a situation where electron kinetic effects alter the Bohm criterion, leading to a subsonic ion flow at the sheath edge. C1 [Baalrud, Scott D.; Scheiner, Brett] Univ Iowa, Dept Phys & Astron, Iowa City, IA 52242 USA. [Yee, Benjamin; Hopkins, Matthew; Barnat, Edward] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Baalrud, SD (reprint author), Univ Iowa, Dept Phys & Astron, Iowa City, IA 52242 USA. EM scott-baalrud@uiowa.edu OI scheiner, brett/0000-0001-6002-9129 FU Office of Fusion Energy Science at the US Department of Energy [DE-AC04-94SL85000]; University of Iowa Old Gold Summer Fellowship FX The authors thank Prof S Robertson for providing the code from [ 28], which was used as a model to develop the numerical solutions in section 4. This research was supported in part by the Office of Fusion Energy Science at the US Department of Energy under contract DE-AC04-94SL85000, and in part by a University of Iowa Old Gold Summer Fellowship. NR 53 TC 7 Z9 7 U1 4 U2 28 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0741-3335 EI 1361-6587 J9 PLASMA PHYS CONTR F JI Plasma Phys. Control. Fusion PD APR PY 2015 VL 57 IS 4 AR 044003 DI 10.1088/0741-3335/57/4/044003 PG 9 WC Physics, Fluids & Plasmas SC Physics GA CE2HW UT WOS:000351637700004 ER PT J AU Bonfiglio, D Veranda, M Cappello, S Escande, DF Chacon, L AF Bonfiglio, D. Veranda, M. Cappello, S. Escande, D. F. Chacon, L. TI Helical self-organization in 3D MHD modelling of fusion plasmas SO PLASMA PHYSICS AND CONTROLLED FUSION LA English DT Article; Proceedings Paper CT 17th International Congress on Plasma Physics CY SEP 15-19, 2014 CL Lisbon, PORTUGAL DE helical self-organization; magnetic perturbation fields; MHD ID REVERSED-FIELD PINCH; MAGNETOHYDRODYNAMICS; PERTURBATIONS; BIFURCATION; MECHANISM; EVOLUTION; PARADIGM; SINGLE; SYSTEM AB The effect of external magnetic perturbations (MPs) on the helical self-organization in nonlinear three-dimensional magnetohydrodynamic modelling of fusion plasmas is discussed. The tokamak, stellarator and reversed-field pinch (RFP) toroidal configurations for magnetic confinement are considered. In the case of current-carrying RFP and tokamak plasmas, MPs are predicted to stimulate the bifurcation to long-lived helical states, as confirmed by experimental observations in the RFX-mod device. For all the configurations, the effect of MPs on the magnetic topology is discussed and interpreted on the basis of the safety factor profile computed by taking into account the dominant helical component of the magnetic field. C1 [Bonfiglio, D.; Veranda, M.; Cappello, S.; Escande, D. F.] Univ Padua, INFN, ENEA, CNR,Acciaierie Venete SpA,Consorzio RFX, I-35127 Padua, Italy. [Escande, D. F.] Aix Marseille Univ, CNRS, PIIM, UMR 7345, F-13013 Marseille, France. [Chacon, L.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Bonfiglio, D (reprint author), Univ Padua, INFN, ENEA, CNR,Acciaierie Venete SpA,Consorzio RFX, Corso Stati Uniti 4, I-35127 Padua, Italy. EM daniele.bonfiglio@igi.cnr.it RI Bonfiglio, Daniele/I-9398-2012; Cappello, Susanna/H-9968-2013; OI Bonfiglio, Daniele/0000-0003-2638-317X; Cappello, Susanna/0000-0002-2022-1113; Chacon, Luis/0000-0002-4566-8763 FU European Union's Horizon 2020 research and innovation programme [633053] FX A part of this work was carried out using the HELIOS supercomputer system at Computational Simulation Centre of International Fusion Energy Research Centre (IFERC-CSC), Aomori, Japan, under the Broader Approach collaboration between Euratom and Japan, implemented by Fusion for Energy and JAEA. This project has received funding from the European Union's Horizon 2020 research and innovation programme under grant agreement number 633053. The views and opinions expressed herein do not necessarily reflect those of the European Commission. NR 83 TC 2 Z9 2 U1 3 U2 15 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0741-3335 EI 1361-6587 J9 PLASMA PHYS CONTR F JI Plasma Phys. Control. Fusion PD APR PY 2015 VL 57 IS 4 AR 044001 DI 10.1088/0741-3335/57/4/044001 PG 9 WC Physics, Fluids & Plasmas SC Physics GA CE2HW UT WOS:000351637700002 ER PT J AU Bai, Y Tang, Y Wang, ZH Jia, Z Wu, F Wu, C Liu, G AF Bai, Ying Tang, Yang Wang, Zhihui Jia, Zhe Wu, Feng Wu, Chuan Liu, Gao TI Electrochemical performance of Si/CeO2/Polyaniline composites as anode materials for lithium ion batteries SO SOLID STATE IONICS LA English DT Article DE Lithium ion batteries; Anode material; Silicon; Composite; Electrochemical performance; Lithium ion diffusion coefficient ID STORAGE PERFORMANCE; SI NANOPARTICLES; RATE CAPABILITY; THIN-FILMS; SILICON; GRAPHENE; NANOCOMPOSITE; STABILITY; CARBON; PARTICLES AB Si has very high theoretical specific capacity as an anode material in a lithium ion battery. However, its application is seriously restricted because of relatively undesirable conductivity and poor cycling stability. Here we report Si/CeO2/Polyaniline (SCP) composite as an anode material, which was synthesized by hydrothermal reaction and chemical polymerization. The structures and morphologies of the SCP composites are characterized by X-ray diffraction (XCRD), scanning electronic microscopy (SEM) and transmission electron microscopy (TEM). It is shown that Si/CeO2 (SC) particles are well coated by PANI elastomer which has good electrical conductivity. The SCP shows larger reversible capacity and better cycling performance compared with pure Si. The first reason is that CeO2 can protect Si from reacting with electrolyte. More importantly, the PANI elastomer can accommodate the volume change of the composite during Li-alloying/dealloying processes, so the pulverization of silicon would be significantly reduced. The SCP material can retain a capacity nearly 775 mAh/g after 100 cycles, while pure Si only shows a capacity of 370 mAh/g after 100 cycles. (C) 2014 Elsevier B.V. All rights reserved. C1 [Bai, Ying; Tang, Yang; Wu, Feng; Wu, Chuan] Beijing Inst Technol, Sch Chem Engn & Environm, Beijing 100081, Peoples R China. [Bai, Ying; Wang, Zhihui; Jia, Zhe; Liu, Gao] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. RP Wu, C (reprint author), Beijing Inst Technol, Sch Chem Engn & Environm, Beijing 100081, Peoples R China. EM chuanwu@bit.edu.cn; gliu@lbl.gov RI wu, chuan/A-1447-2009 FU National Basic Research Program of China [2015CB251100]; Program for New Century Excellent Talents in the University [NCET-13-0033]; National Science Foundation of China [21476027]; State Scholarship Fund of the China Scholarship Council [201406035025] FX This work is supported by the National Basic Research Program of China (Contract No. 2015CB251100), the Program for New Century Excellent Talents in the University (Contract NCET-13-0033), and National Science Foundation of China (Contract No. 21476027). Y. Bai acknowledges the support from the State Scholarship Fund (No.201406035025) of the China Scholarship Council. NR 36 TC 7 Z9 8 U1 27 U2 104 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-2738 EI 1872-7689 J9 SOLID STATE IONICS JI Solid State Ion. PD APR PY 2015 VL 272 BP 24 EP 29 DI 10.1016/j.ssi.2014.12.016 PG 6 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA CE4KP UT WOS:000351799800004 ER PT J AU Abernathy, H Finklea, HO Mebane, DS Song, XY Chen, Y Gerdes, K AF Abernathy, Harry Finklea, Harry O. Mebane, David S. Song, Xueyan Chen, Yun Gerdes, Kirk TI Examination of the mechanism for the reversible aging behavior at open circuit when changing the operating temperature of (La0.8Sr0.2)(0.95)MnO3 electrodes SO SOLID STATE IONICS LA English DT Article DE SOFC cathode; Aging; LSM; Cation segregation; Schottky defect ID OXIDE FUEL-CELLS; LANTHANUM STRONTIUM MANGANITE; LA0.7SR0.3MNO3 THIN-FILMS; X-RAY; SURFACE SEGREGATION; CATHODE MATERIALS; IN-SITU; OXYGEN; DIFFUSION; LA0.6SR0.4COO3-DELTA AB The aging behavior of symmetrical cells, consisting of either (La0.8Sr0.2)(0.95)MnO3 (LSM) or La0.6Sr0.4Co0.2Fe0.8O3 (LSCF) electrodes screen printed on either 8 mol% yttria-stabilized zirconia (YSZ) or Ce0.8Gd0.2O2 (GDC) electrolyte substrates, is reported as the symmetrical cell is thermally cycled between 700 degrees C and 800 degrees C. For LSM, between 700 degrees C and 850 degrees C, the polarization resistance exhibits slow increases or decreases with time (on the order of days) after a quick change in temperature. When increasing the temperature, the polarization resistance decreases with time, and when decreasing the temperature, the polarization resistance slowly increases with time. In a previous work, the authors had explained these results with LSM by connecting the testing conditions to literature reports of surface analysis of LSM thin films which demonstrated a change in the amount of surface cation segregation as a function of temperature. In this work, TEM/EDS/XPS analysis of dense LSM pellets thermally cycled under the same conditions as the symmetrical cells does not indicate any significant reversible change in the surface composition of the LSM pellet between 700 degrees C and 800 degrees C. An alternative hypothesis is proposed to explain the relationship between polarization resistance and the LSM cation/anion vacancy concentrations controlled by the Schottky reaction. The timescale of aging behavior is related to the time necessary for the cations to move to or from the LSM surface to adjust to the new equilibrium at each temperature. The relevance in understanding the mechanism behind the aging behavior is emphasized with respect to fuel cell sample/stack modeling as well as to proper testing procedures for reaching reliable conclusions when comparing different electrode samples. (C) 2015 Elsevier B.V. All rights reserved. C1 [Abernathy, Harry; Finklea, Harry O.; Mebane, David S.; Song, Xueyan; Chen, Yun; Gerdes, Kirk] Natl Energy Technol Lab, Morgantown, WV 26507 USA. [Abernathy, Harry] URS Corp, Morgantown, WV 26507 USA. [Finklea, Harry O.] W Virginia Univ, Bennett Dept Chem, Morgantown, WV 26506 USA. [Mebane, David S.; Song, Xueyan; Chen, Yun] W Virginia Univ, Dept Mech & Aerosp Engn, Morgantown, WV 26506 USA. RP Abernathy, H (reprint author), Natl Energy Technol Lab, 3610 Collins Ferry Rd,POB 880, Morgantown, WV 26507 USA. EM Harry.Abernathy@contr.netl.doe.gov FU National Energy Technology Laboratory's ongoing research under the RES [DE-FE0004000] FX This technical effort was performed in support of the National Energy Technology Laboratory's ongoing research under the RES contract DE-FE0004000. NR 40 TC 2 Z9 2 U1 12 U2 52 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-2738 EI 1872-7689 J9 SOLID STATE IONICS JI Solid State Ion. PD APR PY 2015 VL 272 BP 144 EP 154 DI 10.1016/j.ssi.2015.01.013 PG 11 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA CE4KP UT WOS:000351799800020 ER PT J AU Nishiyama, Y Kobayashi, T Malon, M Singappuli-Arachchige, D Slowing, II Pruski, M AF Nishiyama, Y. Kobayashi, T. Malon, M. Singappuli-Arachchige, D. Slowing, I. I. Pruski, M. TI Studies of minute quantities of natural abundance molecules using 2D heteronuclear correlation spectroscopy under 100 kHz MAS SO SOLID STATE NUCLEAR MAGNETIC RESONANCE LA English DT Article DE Ultrafast MAS; Indirect detection; HSQC; HMQC; Mesoporous silica nanoparticles ID SOLID-STATE NMR; ANGLE-SPINNING NMR; ULTRA-FAST MAS; FUNCTIONALIZED MESOPOROUS SILICAS; CROSS-POLARIZATION; SENSITIVITY ENHANCEMENT; ROTATING SOLIDS; N-15 NMR; PROTEIN; PROTON AB Two-dimensional H-1{C-13} heteronuclear correlation solid-state NMR spectra of naturally abundant solid materials are presented, acquired using the 0.75-mm magic angle spinning (MAS) probe at spinning rates up to 100 kHz. In spite of the miniscule sample volume (290 nL), high-quality HSQC-type spectra of bulk samples as well as surface-bound molecules can be obtained within hours of experimental time. The experiments are compared with those carried out at 40 kHz MAS using a 1.6-mm probe, which offered higher overall sensitivity due to a larger rotor volume. The benefits of ultrafast MAS in such experiments include superior resolution in H-1 dimension without resorting to H-1-H-1 homonuclear RE decoupling, easy optimization, and applicability to mass-limited samples. The HMQC spectra of surface-bound species can be also acquired under 100 kHz MAS, although the dephasing of transverse magnetization has significant effect on the efficiency transfer under MAS alone. Published by Elsevier Inc. C1 [Nishiyama, Y.; Malon, M.] JEOL RESONANCE Inc, Akishima, Tokyo 1968558, Japan. [Nishiyama, Y.; Malon, M.] RIKEN CLST JEOL Collaborat Ctr, Yokohama, Kanagawa 2300045, Japan. [Kobayashi, T.; Singappuli-Arachchige, D.; Slowing, I. I.; Pruski, M.] US DOE, Ames Lab, Ames, IA 50011 USA. [Singappuli-Arachchige, D.; Slowing, I. I.; Pruski, M.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. RP Nishiyama, Y (reprint author), JEOL RESONANCE Inc, 3-1-2 Musashino, Akishima, Tokyo 1968558, Japan. EM yunishiy@jeol.co.jp; mpruski@iastate.edu OI Slowing, Igor/0000-0002-9319-8639 FU U.S. Department of Energy; Office of Basic Energy Sciences (BES); Division of Chemical Sciences, Geosciences, and Biosciences through the Ames Laboratory; U.S. Department of Energy by Iowa State University [DE-ACO2-07CH11358] FX This research was supported by the U.S. Department of Energy, Office of Basic Energy Sciences (BES), Division of Chemical Sciences, Geosciences, and Biosciences through the Ames Laboratory (T.K., D.S.-A., I.I.S., M.P.). The Ames Laboratory is operated for the U.S. Department of Energy by Iowa State University under Contract no. DE-ACO2-07CH11358. NR 42 TC 11 Z9 11 U1 4 U2 34 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0926-2040 EI 1527-3326 J9 SOLID STATE NUCL MAG JI Solid State Nucl. Magn. Reson. PD APR-MAY PY 2015 VL 66-67 BP 56 EP 61 DI 10.1016/j.ssnmr.2015.02.001 PG 6 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical; Physics, Condensed Matter; Spectroscopy SC Chemistry; Physics; Spectroscopy GA CE2SC UT WOS:000351665800010 PM 25773137 ER PT J AU Ravichandran, R Venugopal, JR Mukherjee, S Sundarrajan, S Ramakrishna, S AF Ravichandran, Rajeswari Venugopal, Jayarama Reddy Mukherjee, Shayanti Sundarrajan, Subramanian Ramakrishna, Seeram TI Elastomeric Core/Shell Nanofibrous Cardiac Patch as a Biomimetic Support for Infarcted Porcine Myocardium SO TISSUE ENGINEERING PART A LA English DT Article ID MARROW-CELL TRANSFER; STEM-CELLS; BIODEGRADABLE ELASTOMERS; INTRACORONARY; TRIAL; REGENERATION; DEGRADATION; DELIVERY; SEGMENT AB Heart failure due to Myocardial Infarction (MI) remains the leading cause of death worldwide due to the inability of myocardial tissue to regenerate following infarction. Current therapies could only retard the progression of disease, but fails to bring functional improvement and cardiac regeneration. The present study analyzes the potentials of Poly(glycerol sebacate)/Fibrinogen (PGS/Fib) core/shell fibers as a structural support and initial entrapment of cells in an in vivo porcine model using echocardiography, histology, and immunohistochemistry. The echocardiography results showed the increased ejection fraction (EF) in PGS/Fib/VEGF/Cells compared with MI controls. The percentage increase in the End Diastolic Volume (EDV) dimension from post MI period to 4 weeks follow-up was the least in PGS/Fib/VEGF/Cells groups compared with MI and cell control group proving that the PGS/Fib/VEGF/Cells group restored the left ventricle (LV) function after MI, evident from the improvement in EF and prevention of LV enlargement. Further, immunohistochemistry results demonstrated that most of the transplanted mesenchymal stem cells (MSCs) within the PGS/Fib/VEGF scaffolds expressed cardiac marker proteins troponin and actinin and endothelial cell marker protein CD31 indicating differentiation of human bone marrow MSCs into cardiac cells and endothelial cells. The developed nanofibrous cardiac patch PGS/Fib/VEGF/Cells provides both functional and structural integrity to the infarcted myocardium and also serves as a suitable matrix for the entrapment of MSCs in clinical applications for cardiac tissue engineering. C1 [Ravichandran, Rajeswari; Venugopal, Jayarama Reddy; Mukherjee, Shayanti; Sundarrajan, Subramanian; Ramakrishna, Seeram] Natl Univ Singapore, Ctr Nanofibers & Nanotechnol, NUS Nanosci & Nanotechnol Initiat, Fac Engn, Singapore 117576, Singapore. [Ravichandran, Rajeswari; Sundarrajan, Subramanian; Ramakrishna, Seeram] Natl Univ Singapore, Dept Mech Engn, Singapore 117576, Singapore. [Ravichandran, Rajeswari] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. [Ravichandran, Rajeswari] Univ Calif Berkeley, Nutr Sci & Toxicol, Berkeley, CA 94720 USA. RP Venugopal, JR (reprint author), Natl Univ Singapore, Ctr Nanofibers & Nanotechnol, NUS Nanosci & Nanotechnol Initiat, Fac Engn, Block E3,05-12,2 Engn Dr 3, Singapore 117576, Singapore. EM nnijrv@nus.edu.sg FU NRF-Technion [R-398-001-065-592]; Ministry of Education [R-265-000-318-112]; NUSNNI, National University of Singapore, Singapore FX This study was supported by the NRF-Technion (R-398-001-065-592), Ministry of Education (R-265-000-318-112), and NUSNNI, National University of Singapore, Singapore. NR 30 TC 6 Z9 6 U1 3 U2 21 PU MARY ANN LIEBERT, INC PI NEW ROCHELLE PA 140 HUGUENOT STREET, 3RD FL, NEW ROCHELLE, NY 10801 USA SN 1937-3341 EI 1937-335X J9 TISSUE ENG PT A JI Tissue Eng. Part A PD APR 1 PY 2015 VL 21 IS 7-8 BP 1288 EP 1298 DI 10.1089/ten.tea.2014.0265 PG 11 WC Cell & Tissue Engineering; Biotechnology & Applied Microbiology; Cell Biology SC Cell Biology; Biotechnology & Applied Microbiology GA CF5RC UT WOS:000352613600010 PM 25559869 ER PT J AU Bravo-Suarez, JJ Wang, XQ Li, W Schwartz, V AF Bravo-Suarez, Juan J. Wang, Xianqin Li, Wei Schwartz, Viviane TI Special Issue in Honor of Professor S. Ted Oyama: 2014 ACS Distinguished Researcher Award in Petroleum Chemistry and Storch Award in Fuel Science SO TOPICS IN CATALYSIS LA English DT Editorial Material C1 [Bravo-Suarez, Juan J.] Univ Kansas, Dept Chem & Petr Engn, Lawrence, KS 66045 USA. [Wang, Xianqin] New Jersey Inst Technol, Chem Biol & Pharm Engn Dept, Newark, NJ 07102 USA. [Li, Wei] Gen Motors Global R&D, Warren, MI 48090 USA. [Schwartz, Viviane] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Bravo-Suarez, JJ (reprint author), Univ Kansas, Dept Chem & Petr Engn, Lawrence, KS 66045 USA. EM jjbravo@ku.edu; xianqin.wang@njit.edu; wei.1.li@gm.com; schwartzv@ornl.gov NR 0 TC 0 Z9 0 U1 0 U2 7 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1022-5528 EI 1572-9028 J9 TOP CATAL JI Top. Catal. PD APR PY 2015 VL 58 IS 4-6 SI SI BP 191 EP 193 DI 10.1007/s11244-015-0359-z PG 3 WC Chemistry, Applied; Chemistry, Physical SC Chemistry GA CE2SR UT WOS:000351668200001 ER PT J AU Hou, RJ Chang, K Chen, JGG Wang, TF AF Hou, Ruijun Chang, Kuan Chen, Jingguang G. Wang, Tiefeng TI Replacing Precious Metals with Carbide Catalysts for Hydrogenation Reactions SO TOPICS IN CATALYSIS LA English DT Article DE Selective hydrogenation; 1,3-Buatdiene; Cyclohexadiene; Carbides ID SUPPORTED MOLYBDENUM CARBIDE; SELECTIVE HYDROGENATION; BIMETALLIC CATALYSTS; PD-AG; PT-NI; 1,3-BUTADIENE; HYDRODESULFURIZATION; HYDRODEOXYGENATION; TEMPERATURE; BUTADIENE AB Molybdenum carbide (Mo2C and Ni/Mo2C) catalysts were compared with Pd/SiO2 for the hydrogenation of several diene molecules, 1,3-butadiene, 1,3- and 1,4-cyclohexadiene (CHD). Compared to Pd/SiO2, Mo2C showed similar hydrogenation rate for 1,3-butadiene and 1,3-CHD and even higher rate for 1,4-CHD, but with significant deactivation rate for 1,3-CHD hydrogenation. However, the hydrogenation activity of Mo2C could be completely regenerated by H-2 treatment at 723 K for the three molecules. The Ni modified Mo2C catalysts retained similar activity for 1,3-butadiene hydrogenation with significantly enhanced selectivity for 1-butene production. The 1-butene selectivity increased with increasing Ni loading below 15 %. Among the Ni modified Mo2C catalysts, 8.6 % Ni/Mo2C showed the highest selectivity to 1-butene, which was even higher selectivity than that over Pd/SiO2. Compared to Pd/SiO2, both Mo2C and Ni/Mo2C showed combined advantages in hydrogenation activity and catalyst cost reduction, demonstrating the potential to use less expensive carbide catalysts to replace precious metals for hydrogenation reactions. C1 [Hou, Ruijun; Chang, Kuan; Wang, Tiefeng] Tsinghua Univ, Beijing Key Lab Green React Engn & Technol, Dept Chem Engn, Beijing 100084, Peoples R China. [Hou, Ruijun; Chen, Jingguang G.] Columbia Univ, Dept Chem Engn, New York, NY 10027 USA. [Chen, Jingguang G.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Wang, TF (reprint author), Tsinghua Univ, Beijing Key Lab Green React Engn & Technol, Dept Chem Engn, Beijing 100084, Peoples R China. EM jgchen@columbia.edu; wangtf@tsinghua.edu.cn FU Columbia University [DE-AC02-98CH10886]; U.S. Department of Energy, Office of Basic Energy Sciences; China Scholarship Council; New Century Excellent Talents in University of China [NCET-12-0297] FX The work at Columbia University was carried out under Contract No. DE-AC02-98CH10886 with the U.S. Department of Energy, Office of Basic Energy Sciences. R. Hou was sponsored by China Scholarship Council. T.F. Wang was supported by Program for New Century Excellent Talents in University of China (NCET-12-0297). NR 29 TC 6 Z9 6 U1 12 U2 74 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1022-5528 EI 1572-9028 J9 TOP CATAL JI Top. Catal. PD APR PY 2015 VL 58 IS 4-6 SI SI BP 240 EP 246 DI 10.1007/s11244-015-0365-1 PG 7 WC Chemistry, Applied; Chemistry, Physical SC Chemistry GA CE2SR UT WOS:000351668200007 ER PT J AU Schwenzer, B Cosimbescu, L Glezakou, VA Karkamkar, AJ Wang, ZM Weber, RS AF Schwenzer, Birgit Cosimbescu, Lelia Glezakou, Vassiliki-Alexandra Karkamkar, Abhijeet J. Wang, Zheming Weber, Robert S. TI Use of Solvatochromism to Assay Preferential Solvation of a Prototypic Catalytic Site SO TOPICS IN CATALYSIS LA English DT Article DE Luminescence spectroscopy vanadium; Chromium; Molybdenum; Tungsten oxides; TD-DFT; Ligand-to-metal charge transfer spectroscopy; Mesoscale measurements ID LIQUID-PHASE HYDROGENATION; STRONG SOLID ACIDS; SOLVENT MIXTURES; SURFACE POLARITY; LUMINESCENCE SPECTROSCOPY; CITRAL HYDROGENATION; SUPPORTED VANADIUM; CHEMICAL PROBES; OXIDE CATALYSTS; EXCITED-STATES AB The composition of the reaction medium near photoactive catalytic sites can be inferred from the solvatochromism of the absorption and emission spectra of the wetted sites, which depend on the polarizability of the fluid. In brief, solvatochromism measures the interaction of the dipole moments of the ground and excited states with the electric field imposed by the solvent shell: a field, which does not relax on the time scale of the absorption or emission events. To establish the utility of the technique for inorganic catalysts that operate in complex reaction media, such as encountered in the upgrading of biogenic fuels, we have measured the solvatochromism of a common, structural feature of metal oxide catalysts, mono-oxide or dioxide of a transition metal prepared by incorporating the OM or O2M moiety into the framework of a polyhedral oligomeric silsesquioxane (POSS). In toluene, cyclohexene, chloroform and tetrahydrofuran, POSS-ligated oxometalates exhibit strong ligand-to-metal charge-transfer bands in their UV-visible absorption and emission spectra. From the solvatochromism of the chromophores dissolved in toluene-chloroform mixtures we inferred an unexpectedly strong, preferential solvation of the chromophore even when all three components (oxometalate and the two solvents) were highly miscible. C1 [Schwenzer, Birgit; Wang, Zheming] Pacific NW Natl Lab, Div Phys Sci, Richland, WA 99352 USA. [Cosimbescu, Lelia; Glezakou, Vassiliki-Alexandra; Karkamkar, Abhijeet J.; Weber, Robert S.] Pacific NW Natl Lab, Inst Integrated Catalysis, Richland, WA 99352 USA. RP Weber, RS (reprint author), Pacific NW Natl Lab, Inst Integrated Catalysis, POB 999 MS IN K2-12, Richland, WA 99352 USA. EM robert.weber@pnnl.gov RI Wang, Zheming/E-8244-2010; OI Wang, Zheming/0000-0002-1986-4357; Schwenzer, Birgit/0000-0002-7872-1372 FU Laboratory Directed Research & Development program at Pacific Northwest National Laboratory; US Department of Energy [DE-AC05-76RL01830]; Department of Energy's Office of Biological and Environmental Research and located at PNNL; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX This research was supported in part by the Laboratory Directed Research & Development program at Pacific Northwest National Laboratory. PNNL is operated by Battelle for the US Department of Energy under contract DE-AC05-76RL01830. A portion of the research was performed at EMSL, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at PNNL. This research also used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 68 TC 0 Z9 0 U1 4 U2 22 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1022-5528 EI 1572-9028 J9 TOP CATAL JI Top. Catal. PD APR PY 2015 VL 58 IS 4-6 SI SI BP 258 EP 270 DI 10.1007/s11244-015-0367-z PG 13 WC Chemistry, Applied; Chemistry, Physical SC Chemistry GA CE2SR UT WOS:000351668200009 ER PT J AU Mudiyanselage, K Senanayake, SD Ramirez, PJ Kundu, S Baber, A Yang, F Agnoli, S Axnanda, S Liu, Z Hrbek, J Evans, J Rodriguez, JA Stacchiola, D AF Mudiyanselage, K. Senanayake, S. D. Ramirez, P. J. Kundu, S. Baber, A. Yang, F. Agnoli, S. Axnanda, S. Liu, Z. Hrbek, J. Evans, J. Rodriguez, J. A. Stacchiola, D. TI Intermediates Arising from the Water-Gas Shift Reaction over Cu Surfaces: From UHV to Near Atmospheric Pressures SO TOPICS IN CATALYSIS LA English DT Article DE Water-gas shift; Hydrogen production; Copper; Ceria; Titanium carbide ID FUNDAMENTAL-ASPECTS; SOLID-SURFACES; CU(111); MECHANISM; CO; INTERFACE; CATALYSTS; COPPER; DFT; XPS AB The water-gas shift (WGS) reaction is a key process to the production of high purity H-2 from gas streams rich in CO. The identification of the WGS reaction mechanism and the probable stable intermediates is critical to design the catalyst structure, optimize composition and tune reaction kinetics/thermodynamics to achieve the optimum selectivity and activity. In this study, first the WGS reaction steps on Cu(111) have been studied using X-ray photoelectron spectroscopy (XPS) and infrared reflection absorption spectroscopy under ultra-high vacuum (UHV) conditions. Then the interactions of H2O with CO on Cu(111) have been studied under elevated pressures (90 mTorr CO + 30 mTorr H2O) at 300-575 K with ambient pressure XPS. Under UHV conditions, non-dissociative adsorption of H2O on Cu(111) and Cu2O/Cu(111) was observed. Whereas H2O readily dissociates, by breaking the O-H bond on a chemisorbed O layer on Cu(111) to form OH species. Even though this OH interacts with adsorbed CO, it does not react to form any associative intermediate and simply desorbs as H2O at 275 K under UHV conditions. At ambient pressures, no associative intermediates species, only CO and OH, were observed in the reaction of CO with H2O although the catalytic production of H-2 can be detected under these conditions. Since intermediate species other than CO and OH were not observed on Cu(111) under reaction conditions, we concluded that the redox mechanism is the dominant WGS pathway on Cu(111). The coupling of Cu to an oxide, Cu-CeO2 catalyst, or a carbide, Cu-TiC catalyst, favors an associative mechanism and produces a very large increase in the rate for the production of H-2 through the WGS. C1 [Mudiyanselage, K.; Senanayake, S. D.; Kundu, S.; Baber, A.; Yang, F.; Agnoli, S.; Hrbek, J.; Rodriguez, J. A.; Stacchiola, D.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Ramirez, P. J.; Evans, J.] Cent Univ Venezuela, Fac Ciencias, Caracas 1020A, Venezuela. [Axnanda, S.; Liu, Z.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Stacchiola, D (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. EM rodrigez@bnl.gov; djs@bnl.gov RI Liu, Zhi/B-3642-2009; Stacchiola, Dario/B-1918-2009; Mudiyanselage, Kumudu/B-2277-2013; YANG, FAN/J-2706-2012; Senanayake, Sanjaya/D-4769-2009 OI Liu, Zhi/0000-0002-8973-6561; Stacchiola, Dario/0000-0001-5494-3205; Mudiyanselage, Kumudu/0000-0002-3539-632X; YANG, FAN/0000-0002-1406-9717; Senanayake, Sanjaya/0000-0003-3991-4232 FU US Department of Energy (DOE), Office of Basic Energy Science [DE-AC02-98CH10086]; INTEVEP; IDB; US DOE [DE-AC02-05CH11231] FX The work at BNL (Chemistry Department and National Synchrotron Light Source) was financed by the US Department of Energy (DOE), Office of Basic Energy Science (DE-AC02-98CH10086). INTEVEP and IDB financed the work done at UCV. The AP-XPS spectra were acquired at the Advanced Light Source (beamline 9.3.2), which is supported by the US DOE under contract no. DE-AC02-05CH11231. NR 26 TC 1 Z9 1 U1 10 U2 73 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1022-5528 EI 1572-9028 J9 TOP CATAL JI Top. Catal. PD APR PY 2015 VL 58 IS 4-6 SI SI BP 271 EP 280 DI 10.1007/s11244-015-0368-y PG 10 WC Chemistry, Applied; Chemistry, Physical SC Chemistry GA CE2SR UT WOS:000351668200010 ER PT J AU Zhao, Z Miller, JT Wu, T Schweitzer, NM Wong, MS AF Zhao, Zhun Miller, Jeffrey T. Wu, Tianpin Schweitzer, Neil M. Wong, Michael S. TI EXAFS Characterization of Palladium-on-Gold Catalysts Before and After Glycerol Oxidation SO TOPICS IN CATALYSIS LA English DT Article DE Nanoparticles; Palladium; Gold; Bimetallic; Glycerol; Oxidation; XAS; EXAFS ID BIMETALLIC NANOPARTICLE CATALYSTS; SELECTIVE AEROBIC OXIDATION; ENHANCED RAMAN-SPECTROSCOPY; PARTICLE-SIZE; ALCOHOL OXIDATION; ALLYLIC ALCOHOLS; MOLECULAR-OXYGEN; PHASE OXIDATION; BENZYL ALCOHOL; PD CATALYSTS AB Supported precious metal catalysts have been studied extensively for selective oxidation as a means to upgrade glycerol, a low-cost byproduct of biodiesel manufacture. We recently used a model bimetallic catalyst (Au nanoparticles decorated with Pd and immobilized onto carbon, "Pd-on-Au/C") to study the metal nanostructure effects on glycerol oxidation. In this study, a detailed X-ray absorption spectroscopy analysis of Pd-on-Au catalysts before and after glycerol oxidation (60 A degrees C, 0.1 M glycerol, 0.4 M NaOH, and constant O-2 flow at 1 atm) is presented. Catalysts with two Pd surface coverages (60 and 150 sc%) with comparable turnover frequency values were studied, along with the less active 4-nm Au/C and 4-nm Pd/C as control samples. Extended X-ray absorption fine structure analysis showed that there was no change to oxidation states and coordination numbers for 60 sc% Pd-on-Au/C and Au/C catalysts after contact with the glycerol reaction medium or after 3 h of glycerol reaction. With a higher fraction of oxidized Pd (similar to 40 %) than 60 sc% Pd-on-Au/C (similar to 25 %), the 150 sc% catalyst showed some variation in oxidized Pd content before and after glycerol reaction. Pd/C grew in Pd particle size and became more oxidized after contacting reaction medium and after 3 h reaction, contributing to its observed catalyst deactivation. Structural stability and catalytic activity are improved for the water-phase oxidation of glycerol and likely other alcohols when Pd is supported on Au, highlighting the potential advantages of using Au as a support for other catalytically active metals. C1 [Zhao, Zhun; Wong, Michael S.] Rice Univ, Dept Chem & Biomol Engn, Houston, TX 77005 USA. [Miller, Jeffrey T.; Wu, Tianpin; Schweitzer, Neil M.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Wong, Michael S.] Rice Univ, Dept Chem, Houston, TX 77005 USA. [Wong, Michael S.] Rice Univ, Dept Civil & Environm Engn, Houston, TX 77005 USA. [Wong, Michael S.] Rice Univ, Dept Mat Sci & NanoEngn, Houston, TX 77005 USA. RP Wong, MS (reprint author), Rice Univ, Dept Chem & Biomol Engn, 6100 S Main St, Houston, TX 77005 USA. EM mswong@rice.edu RI Wong, Michael/F-9286-2010 OI Wong, Michael/0000-0002-3652-3378 FU National Science Foundation [CBET-1134535, EEC-0813570]; Welch Foundation [C-1676]; Sigma Xi [G20111015157503]; Rice University; Institute for Atom-efficient Chemical Transformations (IACT), an Energy Frontier Research Center - US Department of Energy, Office of Science, Office of Basic Energy Sciences; U. S. Department of Energy, Office of Science, and Office of Basic Energy Sciences [DE-AC02-06CH11357]; Department of Energy FX acknowledge financial support from the National Science Foundation (CBET-1134535), the Welch Foundation (C-1676), Sigma Xi Grants-in-Aid of Research (GIAR) program (G20111015157503), and Rice University. JTM was supported by the National Science Foundation (EEC-0813570) and as part of the Institute for Atom-efficient Chemical Transformations (IACT), an Energy Frontier Research Center funded by the US Department of Energy, Office of Science, Office of Basic Energy Sciences. We thank Ms. J. Arentz, and Dr. L. A. Pretzer for helpful discussions, and one of the anonymous Reviewers for particularly constructive comments. Use of the Advanced Photon Source was supported by the U. S. Department of Energy, Office of Science, and Office of Basic Energy Sciences (DE-AC02-06CH11357). MRCAT operations are supported by the Department of Energy and MRCAT member institutions. NR 40 TC 4 Z9 4 U1 14 U2 52 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1022-5528 EI 1572-9028 J9 TOP CATAL JI Top. Catal. PD APR PY 2015 VL 58 IS 4-6 SI SI BP 302 EP 313 DI 10.1007/s11244-015-0371-3 PG 12 WC Chemistry, Applied; Chemistry, Physical SC Chemistry GA CE2SR UT WOS:000351668200013 ER PT J AU Lugo-Mendez, HD Valdes-Parada, FJ Porter, ML Wood, BD Ochoa-Tapia, JA AF Lugo-Mendez, Helen D. Valdes-Parada, Francisco J. Porter, Mark L. Wood, Brian D. Ochoa-Tapia, J. Alberto TI Upscaling Diffusion and Nonlinear Reactive Mass Transport in Homogeneous Porous Media SO TRANSPORT IN POROUS MEDIA LA English DT Article DE Upscaling; Reactive transport; Linearization; Closure problem ID LATTICE BOLTZMANN; EFFECTIVE DIFFUSIVITIES; BIMOLECULAR REACTIONS; 2-PHASE MEDIA; DISPERSION; BIOFILMS; MODELS; PORE; TORTUOSITY; SIMULATION AB In this work, we revisit the upscaling process of diffusive mass transfer of a solute undergoing a homogeneous reaction in porous media using the method of volume averaging. For linear reaction rate kinetics, the upscaled model exhibits a vis-A -vis correspondence with the mass transfer governing equation at the microscale. When nonlinear reactions are present, other methods must be adopted to upscale the nonlinear term. In this work, we explore a linearization approach for the purpose of solving the associated closure problem. For large rates of nonlinear reaction relative to diffusion, the effective diffusion tensor is shown to be a function of the reaction rate, and this dependence is illustrated by both numerical and analytical means. This approach leads to a macroscale model that also has a similar structure as the microscale counterpart. The necessary conditions for the vis-A -vis correspondence are clearly identified. The validation of the macroscale model is carried out by comparison with pore-scale simulations of the microscale transport process. The predictions of both concentration profiles and effectiveness factors were found to be in acceptable agreement. In an appendix, we also briefly discuss an integral formulation of the nonlinear problem that may be useful in developing more accurate results for the upscaled transport and reaction equations; this approach requires computing the Green function corresponding to the linear transport problem. C1 [Lugo-Mendez, Helen D.; Valdes-Parada, Francisco J.; Ochoa-Tapia, J. Alberto] Univ Autnoma Metropolitana Iztapalapa, Dept Ingn Proc & Hidraul, Mexico City 09340, DF, Mexico. [Porter, Mark L.] Los Alamos Natl Lab, Earth & Environm Sci Div, Los Alamos, NM 87545 USA. [Wood, Brian D.] Oregon State Univ, Sch Chem Biol & Environm Engn, Corvallis, OR 97330 USA. RP Ochoa-Tapia, JA (reprint author), Univ Autnoma Metropolitana Iztapalapa, Dept Ingn Proc & Hidraul, Mexico City 09340, DF, Mexico. EM jaot@xanum.uam.mx RI Porter, Mark/B-4417-2011; OI Wood, Brian/0000-0003-3152-7852 FU Fondo Sectorial de Investigacion para la educacion from CONACyT [12511908, 112087] FX This work was benefited from Fondo Sectorial de Investigacion para la educacion from CONACyT (Project Number: 12511908; Arrangement Number: 112087). NR 68 TC 3 Z9 3 U1 4 U2 19 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0169-3913 EI 1573-1634 J9 TRANSPORT POROUS MED JI Transp. Porous Media PD APR PY 2015 VL 107 IS 3 BP 683 EP 716 DI 10.1007/s11242-015-0462-4 PG 34 WC Engineering, Chemical SC Engineering GA CE1OL UT WOS:000351581100004 ER PT J AU Moshammer, K Lucassen, A Togbe, C Kohse-Honghaus, K Hansen, N AF Moshammer, Kai Lucassen, Arnas Togbe, Casimir Kohse-Hoenghaus, Katharina Hansen, Nils TI Formation of Oxygenated and Hydrocarbon Intermediates in Premixed Combustion of 2-Methylfuran SO ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS LA English DT Article DE Combustion; Biofuel; 2-Methylfuran; Mass Spectrometry; Photoionization; Isomers; Pollutant ID PHOTOIONIZATION CROSS-SECTIONS; BEAM MASS-SPECTROMETRY; FUEL-RICH FLAMES; LAMINAR BURNING CHARACTERISTICS; LOW-PRESSURE FLAMES; GAS-CHROMATOGRAPHY; AIR-POLLUTION; SHOCK-TUBE; N-BUTANOL; CHEMISTRY AB This paper focuses on the combustion chemistry of 2-methylfuran (2-MF), a potential biofuel, and it is built on the previous work of Tran et al. [Combust. Flame 161 (2014) 766]. In their work, they had combined detailed flame chemistry modeling with flame speciation data based on flame-sampling molecular beam mass spectrometry (MBMS) with electron ionization and gas chromatography with MS detection. In this work, we significantly extend those previous studies by in-situ isomer-resolving species identification and quantification. Specifically, we have determined the detailed chemical structure of a pre-mixed laminar 2-MF flame using flame-sampling high-resolution MBMS with synchrotron-generated vacuum-ultraviolet radiation. Mole fraction profiles of 60 intermediate, reactant, and product species were measured in order to assess the pollutant potential of this possible next-generation biofuel. Special emphasis is paid towards the fuel's ability to form aromatic and oxygenated intermediates during incomplete combustion processes, with the latter species representing a variety of different classes including alcohols, ethers, enols, ketones, aldehydes, acids, and ketenes. Whenever possible the experimental data are compared to the results of model calculations using the 2-MF combustion chemistry model of Tran et al., but it should be noted that many newly detected species are not included in the calculations. The experimental data presented in this work provides guidance towards to development of a next-generation 2-MF combustion chemistry model. C1 [Moshammer, Kai; Lucassen, Arnas; Hansen, Nils] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. [Moshammer, Kai; Togbe, Casimir; Kohse-Hoenghaus, Katharina] Univ Bielefeld, Dept Chem, D-33615 Bielefeld, Germany. [Lucassen, Arnas] Phys Tech Bundesanstalt, D-38116 Braunschweig, Germany. [Togbe, Casimir] CNRS, Orleans 2, France. RP Hansen, N (reprint author), Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. EM nhansen@sandia.gov RI Hansen, Nils/G-3572-2012; Lucassen, Arnas/G-3803-2013 OI Lucassen, Arnas/0000-0003-2967-2030 FU U.S. Department of Energy, Office of Basic Energy Sciences under the Energy Frontier Research Center for Combustion Science [DE-SC0001198]; Alexander von Humboldt-Foundation; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231]; National Nuclear Security Administration [DE-AC04-94-AL85000] FX The work was supported by the U.S. Department of Energy, Office of Basic Energy Sciences under the Energy Frontier Research Center for Combustion Science (Grant No. DE-SC0001198). CT thanks the Alexander von Humboldt-Foundation for financial support. The measurements were performed within the "Flame Team" collaboration at the Advanced Light Source (ALS), Lawrence Berkeley National Laboratory, Berkeley, USA, and we thank the students and postdocs for the help with the data acquisition. The experiments have profited from the expert technical assistance of Paul Fugazzi. We thank Ahren Jasper for providing theoretical support. 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. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the National Nuclear Security Administration under contract DE-AC04-94-AL85000. NR 82 TC 5 Z9 5 U1 7 U2 31 PU WALTER DE GRUYTER GMBH PI BERLIN PA GENTHINER STRASSE 13, D-10785 BERLIN, GERMANY SN 0942-9352 J9 Z PHYS CHEM JI Z. Phys. Chemie-Int. J. Res. Phys. Chem. Chem. Phys. PD APR PY 2015 VL 229 IS 4 SI SI BP 507 EP 528 DI 10.1515/zpch-2014-0606 PG 22 WC Chemistry, Physical SC Chemistry GA CE6ES UT WOS:000351930000005 ER PT J AU Whitesides, R Frenklach, M AF Whitesides, Russell Frenklach, Michael TI Effect of Reaction Kinetics on Graphene-Edge Morphology and Composition SO ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS LA English DT Article DE Graphene-Edge Growth; Soot; Chemical Kinetics; Sensitivity Analysis ID POLYCYCLIC AROMATIC-HYDROCARBONS; MONTE-CARLO-SIMULATION; SMALL SOOT PARTICLES; PREMIXED FLAMES; LARGE MOLECULES; LAYER GROWTH; PAH; ACETYLENE; MIGRATION; CHEMISTRY AB New simulations of graphene growth in flame environments are presented. The simulations employed a kinetic Monte Carlo (KMC) algorithm coupled to molecular mechanics (MM) geometry optimization to track individual graphenic species as they evolve. Focus was given to incorporation of five-member rings and resulting curvature and edge defects. The model code was re-written to be more computationally efficient enabling a larger set of simulations to be run, decreasing stochastic fluctuations in the averaged results. The model also included updated rate coefficients for graphene edge reactions recently published in the literature. Sensitivity analysis, enabled by the more efficient coding, confirmed the importance of the updated rates as well as providing further insight on key reactions controlling layer growth and morphology. The new KMC code was applied to simulate graphene-layer growth in the environments of laminar premixed flames. In these flame simulations, C-H ratios of evolving structures were computed and compared to those from experiment and from an alternate model. C1 [Frenklach, Michael] Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. [Whitesides, Russell] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Frenklach, M (reprint author), Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. EM frenklach@berkeley.edu FU US Army Corps of Engineers, Humphreys Engineering Center Support Activity [W912HQ-11-C-0035] FX MYF was supported by the US Army Corps of Engineers, Humphreys Engineering Center Support Activity, Contract No. W912HQ-11-C-0035. NR 33 TC 2 Z9 3 U1 2 U2 17 PU WALTER DE GRUYTER GMBH PI BERLIN PA GENTHINER STRASSE 13, D-10785 BERLIN, GERMANY SN 0942-9352 J9 Z PHYS CHEM JI Z. Phys. Chemie-Int. J. Res. Phys. Chem. Chem. Phys. PD APR PY 2015 VL 229 IS 4 SI SI BP 597 EP 614 DI 10.1515/zpch-2014-0633 PG 18 WC Chemistry, Physical SC Chemistry GA CE6ES UT WOS:000351930000010 ER PT J AU Wesseldyke, ES Becker, JG Seagren, EA Mayer, AS Zhang, CY AF Wesseldyke, Eric S. Becker, Jennifer G. Seagren, Eric A. Mayer, Alex S. Zhang, Changyong TI Numerical modeling analysis of hydrodynamic and microbial controls on DNAPL pool dissolution and detoxification: Dehalorespirers in co-culture SO ADVANCES IN WATER RESOURCES LA English DT Article DE NAPL; Dissolution; Dehalorespiration; Competition; Advection; Dispersion ID DENSE CHLORINATED SOLVENTS; NONAQUEOUS-PHASE LIQUIDS; SATURATED POROUS-MEDIA; REDUCTIVE DECHLORINATION; SOURCE-ZONES; ENHANCED DISSOLUTION; VINYL-CHLORIDE; SP-NOV; DEHALOCOCCOIDES-ETHENOGENES; TETRACHLOROETHENE DNAPL AB Dissolution of dense non-aqueous phase liquid (DNAPL) contaminants like tetrachloroethene (PCE) can be "bioenhanced'' via biodegradation, which increases the concentration gradient at the DNAPL-water interface. Model simulations were used to evaluate the impact of ecological interactions between different dehalorespiring strains and hydrodynamics on the bioenhancement effect and the extent of PCE dechlorination. Simulations were performed using a two-dimensional coupled flow-transport model, with a DNAPL pool source and two microbial species, Dehalococcoides mccartyi 195 and Desulfuromonas michiganensis, which compete for electron acceptors (e.g., PCE), but not for their electron donors. Under biostimulation, low v(x) conditions, D. michiganensis alone significantly enhanced dissolution by rapidly utilizing aqueous-phase PCE. In co-culture under these conditions, D. mccartyi 195 increased this bioenhancement modestly and greatly increased the extent of PCE transformation. Although D. michiganensis was the dominant population under low velocity conditions, D. mccartyi 195 dominated under high velocity conditions due to bioclogging effects. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Wesseldyke, Eric S.; Becker, Jennifer G.; Seagren, Eric A.; Mayer, Alex S.] Michigan Technol Univ, Dept Civil & Environm Engn, Houghton, MI 49931 USA. [Zhang, Changyong] Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Chem & Mat Sci Div, Richland, WA 99354 USA. RP Becker, JG (reprint author), Michigan Technol Univ, Dept Civil & Environm Engn, 1400 Townsend Dr, Houghton, MI 49931 USA. EM jgbecker@mtu.edu RI Zhang, Changyong/A-8012-2013 FU National Science Foundation [1034700]; Department of Energy's Office of Biological and Environmental Research at Pacific Northwest National Laboratory FX This research was supported by the National Science Foundation under Grant No. 1034700. A portion of the research was performed using EMSL, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory. NR 64 TC 1 Z9 1 U1 2 U2 27 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0309-1708 EI 1872-9657 J9 ADV WATER RESOUR JI Adv. Water Resour. PD APR PY 2015 VL 78 BP 112 EP 125 DI 10.1016/j.advwatres.2015.01.009 PG 14 WC Water Resources SC Water Resources GA CE2WM UT WOS:000351681800009 ER PT J AU Serres, JL Fouts, BL Dukes, SF Maupin, GM Wade, ME AF Serres, Jennifer L. Fouts, Brittany L. Dukes, Susan F. Maupin, Genny M. Wade, Molly E. TI Records Review of Musculoskeletal Injuries in Aeromedical Evacuation Personnel SO AMERICAN JOURNAL OF PREVENTIVE MEDICINE LA English DT Review ID HEALTH-CARE WORKERS; PREVENTING HYPOTHERMIA; MILITARY PERSONNEL; HEMORRHAGIC-SHOCK; DISORDERS; AIRCREW; RISK; AIR AB Background: Aeromedical evacuation providers care for patients during air transport. By applying standard medical practices, oftentimes developed for ground care, these practitioners perform their mission duties under additional physical stress in this unique medical environment. Awkward postures and excessive forces are common occurrences among personnel operating in this domain. Additionally, anecdotal reports highlight the risk of developing musculoskeletal injuries for these providers. Currently, there is limited research focusing on musculoskeletal injuries in aeromedical evacuation providers. Purpose: To determine the prevalence of musculoskeletal injuries and associated symptoms in aeromedical evacuation providers to understand the risk and burden of these injuries to military personnel. Methods: This study utilized a retrospective review of military medical records containing ICD-9 codes to investigate the incidence of musculoskeletal injuries within flight nurses and medical technicians compared to their non-flying counterparts from 2006 through 2011. Data were analyzed from 2013 through 2014. Results: Although musculoskeletal injuries were identified within the test populations, results showed fewer injuries for aeromedical evacuation populations compared to non-aeromedical evacuation counterparts. Conclusions: One contributing factor may be a potential under-reporting of musculoskeletal injuries resulting from the fear of being placed on limited flying status. As flyers, aeromedical evacuation personnel must undergo yearly medical examinations and complete training courses that emphasize proper lifting techniques and physical requirements necessary for the safe and efficient transport of patients on various platforms. These additional requirements may create a healthy worker effect, likely contributing to lower musculoskeletal injuries. Published by Elsevier Inc. on behalf of American Journal of Preventive Medicine C1 [Serres, Jennifer L.; Dukes, Susan F.; Maupin, Genny M.] US Air Force, Sch Aerosp Med, Dept Aeromed Res, Dayton, OH 45433 USA. [Fouts, Brittany L.] Oak Ridge Inst Sci & Educ, Dayton, OH 45433 USA. [Wade, Molly E.] Peerless Technol Corp, Dayton, OH 45433 USA. RP Fouts, BL (reprint author), 2510 5th St,Bldg 840, Dayton, OH 45433 USA. EM brittany.fouts.ctr@us.af.mil FU Department of the Air Force, 711th Human Performance Wing, Defense Health Program; appointment to the Student Research Participation Program at the U.S. Air Force Research Laboratory, 711th Human Performance Wing FX This work was funded by the Department of the Air Force, 711th Human Performance Wing, Defense Health Program. This research was supported in part by an appointment to the Student Research Participation Program at the U.S. Air Force Research Laboratory, 711th Human Performance Wing, administered by the Oak Ridge Institute for Science and Education through an interagency agreement between the U.S. Department of Energy and the U.S. Air Force Research Laboratory. The views expressed in this article are those of the authors and do not necessarily reflect the official policy or position of the Air Force, the Department of Defense, or the U.S. Government. NR 32 TC 0 Z9 0 U1 1 U2 5 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0749-3797 EI 1873-2607 J9 AM J PREV MED JI Am. J. Prev. Med. PD APR PY 2015 VL 48 IS 4 BP 365 EP 371 DI 10.1016/j.amepre.2014.10.017 PG 7 WC Public, Environmental & Occupational Health; Medicine, General & Internal SC Public, Environmental & Occupational Health; General & Internal Medicine GA CD7DM UT WOS:000351251000001 PM 25704648 ER PT J AU Langford, ZL Gooseff, MN Lampkin, DJ AF Langford, Zachary L. Gooseff, Michael N. Lampkin, Derrick J. TI Spatiotemporal dynamics of wetted soils across a polar desert landscape SO ANTARCTIC SCIENCE LA English DT Article DE McMurdo Dry Valleys; remote sensing; snow; soil moisture; streams; water tracks ID MCMURDO DRY VALLEYS; TAYLOR VALLEY; ANTARCTICA; WATER; ECOSYSTEM; GEOCHEMISTRY; ENVIRONMENT; MODEL; SEEPS; SNOW AB Liquid water is scarce across the landscape of the McMurdo Dry Valleys (MDV), Antarctica, a 3800 km(2) ice-free region, and is chiefly associated with soils that are adjacent to streams and lakes (i.e. wetted margins) during the annual thaw season. However, isolated wetted soils have been observed at locations distal from water bodies. The source of water for the isolated patches of wet soil is potentially generated by a combination of infiltration from melting snowpacks, melting of pore ice at the ice table, and melting of buried segregation ice formed during winter freezing. High resolution remote sensing data gathered several times per summer in the MDV region were used to determine the spatial and temporal distribution of wet soils. The spatial consistency with which the wet soils occurred was assessed for the 2009-10 to 2011-12 summers. The remote sensing analyses reveal that cumulative area and number of wet soil patches varies among summers. The 2010-11 summer provided the most wetted soil area (10.21 km(2)) and 2009-10 covered the least (5.38 km(2)). These data suggest that wet soils are a significant component of the MDV cold desert land system and may become more prevalent as regional climate changes. C1 [Langford, Zachary L.] Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. [Langford, Zachary L.] Penn State Univ, Dept Civil & Environm Engn, University Pk, PA 16802 USA. [Gooseff, Michael N.] Colorado State Univ, Dept Civil & Environm Engn, Ft Collins, CO 80523 USA. [Lampkin, Derrick J.] Univ Maryland, Dept Atmospher & Ocean Sci, College Pk, MD 20742 USA. RP Langford, ZL (reprint author), Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. EM zach@climatemodeling.org RI Gooseff, Michael/N-6087-2015 OI Gooseff, Michael/0000-0003-4322-8315 FU National Science Foundation's Office of Polar Programs [ANT-1045215]; US Government [DE-AC05-00OR22725] FX The authors wish to acknowledge the helpful suggestions of two anonymous reviewers. This project is funded through the National Science Foundation's Office of Polar Programs under grant number ANT-1045215 and the satellite imagery was provided by the PGC. The opinions, findings, and conclusions or recommendations expressed in this material are those of the authors and do not necessarily reflect the views of the National Science Foundation. The submitted manuscript has been authored by a contractor of the US Government under Contract No. DE-AC05-00OR22725. Accordingly, the US Government retains a non-exclusive, royalty-free license to publish or reproduce the published form of this contribution, or allow others to do so, for US Government purposes. NR 28 TC 1 Z9 1 U1 0 U2 6 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0954-1020 EI 1365-2079 J9 ANTARCT SCI JI Antarct. Sci. PD APR PY 2015 VL 27 IS 2 BP 197 EP 209 DI 10.1017/S0954102014000601 PG 13 WC Environmental Sciences; Geography, Physical; Geosciences, Multidisciplinary SC Environmental Sciences & Ecology; Physical Geography; Geology GA CD7TK UT WOS:000351295300009 ER PT J AU Tamano, K Bruno, KS Koike, H Ishii, T Miura, A Umemura, M Culley, DE Baker, SE Machida, M AF Tamano, Koichi Bruno, Kenneth S. Koike, Hideaki Ishii, Tomoko Miura, Ai Umemura, Myco Culley, David E. Baker, Scott E. Machida, Masayuki TI Increased production of free fatty acids in Aspergillus oryzae by disruption of a predicted acyl-CoA synthetase gene SO APPLIED MICROBIOLOGY AND BIOTECHNOLOGY LA English DT Article DE Acyl-CoA synthetase; Fatty acid; Biofuel; Productivity; Genetic engineering; Aspergillus oryzae ID SACCHAROMYCES-CEREVISIAE; PHYLOGENOMIC ANALYSIS; SYSTEM; GROWTH AB Fatty acids are attractive molecules as source materials for the production of biodiesel fuel. Previously, we attained a 2.4-fold increase in fatty acid production by increasing the expression of fatty acid synthesis-related genes in Aspergillus oryzae. In this study, we achieved an additional increase in the production of fatty acids by disrupting a predicted acyl-CoA synthetase gene in A. oryzae. The A. oryzae genome is predicted to encode six acyl-CoA synthetase genes and disruption of AO090011000642, one of the six genes, resulted in a 9.2-fold higher accumulation (corresponding to an increased production of 0.23 mmol/g dry cell weight) of intracellular fatty acid in comparison to the wild-type strain. Furthermore, by introducing a niaD marker from Aspergillus nidulans to the disruptant, as well as changing the concentration of nitrogen in the culture medium from 10 to 350 mM, fatty acid productivity reached 0.54 mmol/g dry cell weight. Analysis of the relative composition of the major intracellular free fatty acids caused by disruption of AO090011000642 in comparison to the wild-type strain showed an increase in stearic acid (7 to 26 %), decrease in linoleic acid (50 to 27 %), and no significant changes in palmitic or oleic acid (each around 20-25 %). C1 [Tamano, Koichi; Ishii, Tomoko; Miura, Ai; Umemura, Myco; Machida, Masayuki] Natl Inst Adv Ind Sci & Technol, Bioprod Res Inst, Toyohira Ku, Sapporo, Hokkaido 0628517, Japan. [Bruno, Kenneth S.; Culley, David E.] Pacific NW Natl Lab, Chem & Biol Proc Dev Grp, Richland, WA 99352 USA. [Baker, Scott E.] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99354 USA. [Koike, Hideaki] Natl Inst Adv Ind Sci & Technol, Bioprod Res Inst, Tsukuba, Ibaraki 3058566, Japan. RP Tamano, K (reprint author), Natl Inst Adv Ind Sci & Technol, Bioprod Res Inst, Toyohira Ku, 2-17-2-1 Tsukisamu Higashi, Sapporo, Hokkaido 0628517, Japan. EM tamano-k@aist.go.jp FU Ministry of Economy, Trade, and Industry (METI), Japan; DOE EERE Office of the Biomass Program FX This work was performed with support from a grant-in-aid from the Ministry of Economy, Trade, and Industry (METI), Japan. S. E. Baker and K. S. Bruno were supported by the DOE EERE Office of the Biomass Program. NR 25 TC 1 Z9 1 U1 2 U2 15 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0175-7598 EI 1432-0614 J9 APPL MICROBIOL BIOT JI Appl. Microbiol. Biotechnol. PD APR PY 2015 VL 99 IS 7 BP 3103 EP 3113 DI 10.1007/s00253-014-6336-9 PG 11 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA CE1BW UT WOS:000351547800015 PM 25564035 ER PT J AU Thompson, CC Amaral, GR Campeao, M Edwards, RA Polz, MF Dutilh, BE Ussery, DW Sawabe, T Swings, J Thompson, FL AF Thompson, Cristiane C. Amaral, Gilda R. Campeao, Mariana Edwards, Robert A. Polz, Martin F. Dutilh, Bas E. Ussery, David W. Sawabe, Tomoo Swings, Jean Thompson, Fabiano L. TI Microbial taxonomy in the post-genomic era: Rebuilding from scratch? SO ARCHIVES OF MICROBIOLOGY LA English DT Editorial Material DE Bacteria; Archaea; Microbes; Taxonomy; Genomics; Evolution; Open access ID AD-HOC-COMMITTEE; POPULATION GENOMICS; POLYPHASIC TAXONOMY; VIBRIO-CHOLERAE; SPECIES CONCEPT; BACTERIAL; DIVERSITY; ARCHAEA; DIFFERENTIATION; RECOMBINATION AB Microbial taxonomy should provide adequate descriptions of bacterial, archaeal, and eukaryotic microbial diversity in ecological, clinical, and industrial environments. Its cornerstone, the prokaryote species has been re-evaluated twice. It is time to revisit polyphasic taxonomy, its principles, and its practice, including its underlying pragmatic species concept. Ultimately, we will be able to realize an old dream of our predecessor taxonomists and build a genomic-based microbial taxonomy, using standardized and automated curation of high-quality complete genome sequences as the new gold standard. C1 [Thompson, Cristiane C.; Amaral, Gilda R.; Campeao, Mariana; Edwards, Robert A.; Dutilh, Bas E.; Swings, Jean; Thompson, Fabiano L.] Univ Fed Rio de Janeiro, Microbiol Lab, Inst Biol, Rio De Janeiro, Brazil. [Edwards, Robert A.] San Diego State Univ, San Diego, CA 92182 USA. [Edwards, Robert A.] Argonne Natl Lab, Argonne, IL 60439 USA. [Polz, Martin F.] MIT, Cambridge, MA 02139 USA. [Dutilh, Bas E.] Radboud Univ Nijmegen, NL-6525 ED Nijmegen, Netherlands. [Ussery, David W.] Oak Ridge Natl Lab, BioSci Div, Oak Ridge, TN USA. [Sawabe, Tomoo] Hokkaido Univ, Fac Fisheries Sci, Microbiol Lab, Hakodate, Hokkaido, Japan. [Swings, Jean] Univ Ghent, Lab Microbiol, B-9000 Ghent, Belgium. [Thompson, Fabiano L.] SAGE COPPE UFRJ, Rio De Janeiro, Brazil. RP Thompson, CC (reprint author), Univ Fed Rio de Janeiro, Microbiol Lab, Inst Biol, Rio De Janeiro, Brazil. EM thompsoncristiane@gmail.com RI Dutilh, Bas/B-9719-2011; Thompson, Cristiane/I-5783-2016; OI Dutilh, Bas/0000-0003-2329-7890; /0000-0001-9296-3733; Ussery, David/0000-0003-3632-5512 NR 101 TC 19 Z9 19 U1 8 U2 62 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0302-8933 EI 1432-072X J9 ARCH MICROBIOL JI Arch. Microbiol. PD APR PY 2015 VL 197 IS 3 BP 359 EP 370 DI 10.1007/s00203-014-1071-2 PG 12 WC Microbiology SC Microbiology GA CD9FC UT WOS:000351402200001 PM 25533848 ER PT J AU Selvaratnam, T Pegallapati, AK Reddy, H Kanapathipillai, N Nirmalakhandan, N Deng, S Lammers, PJ AF Selvaratnam, T. Pegallapati, A. K. Reddy, H. Kanapathipillai, N. Nirmalakhandan, N. Deng, S. Lammers, P. J. TI Algal biofuels from urban wastewaters: Maximizing biomass yield using nutrients recycled from hydrothermal processing of biomass SO BIORESOURCE TECHNOLOGY LA English DT Article DE Algal bioenergy; Wastewater treatment; Hydrothermal liquefaction; Regrowth in recycled nutrients; Galdieria sulphuraria ID WASTE-WATER TREATMENT; GALDIERIA-SULPHURARIA; NITROGEN REMOVAL; AQUEOUS-PHASE; BIO-OIL; LIQUEFACTION; CULTIVATION; MICROALGAE; TECHNOLOGIES; CONVERSION AB Recent studies have proposed algal cultivation in urban wastewaters for the dual purpose of waste treatment and bioenergy production from the resulting biomass. This study proposes an enhancement to this approach that integrates cultivation of an acidophilic strain, Galdieria sulphuraria 5587.1, in a closed photobioreactor (PBR); hydrothermal liquefaction (HTL) of the wet algal biomass; and recirculation of the nutrient-rich aqueous product (AP) of HTL to the PBR to achieve higher biomass productivity than that could be achieved with raw wastewater. The premise is that recycling nutrients in the AP can maintain optimal C, N and P levels in the PBR to maximize biomass growth to increase energy returns. Growth studies on the test species validated growth on AP derived from HTL at temperatures from 180 to 300 degrees C. Doubling N and P concentrations over normal levels in wastewater resulted in biomass productivity gains of 20-25% while N and P removal rates also doubled. (c) 2015 Elsevier Ltd. All rights reserved. C1 [Selvaratnam, T.; Kanapathipillai, N.; Nirmalakhandan, N.] New Mexico State Univ, Dept Civil Engn, Las Cruces, NM 88003 USA. [Pegallapati, A. K.] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA. [Reddy, H.; Deng, S.] New Mexico State Univ, Dept Chem Engn, Las Cruces, NM 88003 USA. [Lammers, P. J.] New Mexico State Univ, Energy Res Lab, Las Cruces, NM 88003 USA. RP Nirmalakhandan, N (reprint author), New Mexico State Univ, Dept Civil Engn, Las Cruces, NM 88003 USA. RI Deng, Shuguang/G-5926-2011; selvaratnam, Thinesh/M-3950-2015 OI Deng, Shuguang/0000-0003-2892-3504; selvaratnam, Thinesh/0000-0002-0705-4453 FU NSF Engineering Research Center for Reinventing the Nation's Urban Water Infrastructure (ReNUWIt) [EEC 1028968]; US Department of Energy [DE-EE0003046, DE-EE0006269]; National Science Foundation [IIA-1301346]; Office of the Vice President for Research at NMSU; Ed & Harold Foreman Endowed Chair FX This study was supported in part by the NSF Engineering Research Center for Reinventing the Nation's Urban Water Infrastructure (ReNUWIt), award # EEC 1028968; the US Department of Energy under contract DE-EE0003046 to the National Alliance for Advanced Biofuels and Bioproducts (NAABB) and DE-EE0006269 for the Regional Algal Feedstock Testbed Partnership; the National Science Foundation award #IIA-1301346 (New Mexico EPSCoR); the Office of the Vice President for Research at NMSU; and the Ed & Harold Foreman Endowed Chair. NR 35 TC 11 Z9 13 U1 7 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 APR PY 2015 VL 182 BP 232 EP 238 DI 10.1016/j.biortech.2015.01.134 PG 7 WC Agricultural Engineering; Biotechnology & Applied Microbiology; Energy & Fuels SC Agriculture; Biotechnology & Applied Microbiology; Energy & Fuels GA CD5BI UT WOS:000351101500030 PM 25704095 ER PT J AU Fang, YX Yoshii, K Jiang, XG Sun, XG Tsuda, T Mehio, N Dai, S AF Fang, Youxing Yoshii, Kazuki Jiang, Xueguang Sun, Xiao-Guang Tsuda, Tetsuya Mehio, Nada Dai, Sheng TI An AlCl3 based ionic liquid with a neutral substituted pyridine ligand for electrochemical deposition of aluminum SO ELECTROCHIMICA ACTA LA English DT Article DE Al-containing ionic liquid; Al electroplating; Al-containing cations; neutral ligand ID CHLOROALUMINATE MOLTEN-SALTS; LEWIS ACIDITY; ELECTRODEPOSITION; AL; ALLOYS; SILVER; COMPLEXES; VISCOSITY; CATIONS; MELTS AB A new ionic liquid (IL) based on a "neutral" ligand, 4-propylpyridine, is obtained via complexation with AlCl3. It is found that the asymmetric cleavage of AlCl3 generates AlCl2+ and AlCl4, and the former is coordinated by 4-propylpyridine to produce the Al-containing cations ([AlCl2(4-Pr-Py)(2)](+)). The AlCl3/4-propylpyridine IL with a molar ratio of 1.3/1 is highly fluidic with a viscosity of 42.8 mPa s and an ionic conductivity of 5.0 x 10 x S-4/cm at room temperature. In contrast to conventional ILs for electroplating aluminum in which the electrochemically active species are Al-containing anions (for example Al2Cl7), this new IL has an Al-containing cation as the electroactive species, which is beneficial to electrodeposition of aluminum. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Yoshii, Kazuki; Sun, Xiao-Guang; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Fang, Youxing; Jiang, Xueguang; Mehio, Nada; Dai, Sheng] Univ Tennessee, Dept Chem, Knoxville, TN 37916 USA. [Tsuda, Tetsuya] Osaka Univ, Grad Sch Engn, Dept Appl Chem, Suita, Osaka 5650871, Japan. RP Dai, S (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM dais@ornl.gov RI Jiang, Xueguang/J-5784-2013; Tsuda, Tetsuya/F-7234-2014; Dai, Sheng/K-8411-2015; Yoshii, Kazuki/H-9700-2016; fang, youxing/K-1972-2016 OI Jiang, Xueguang/0000-0002-9937-6029; Tsuda, Tetsuya/0000-0001-9462-8066; Dai, Sheng/0000-0002-8046-3931; Yoshii, Kazuki/0000-0001-8904-6790; FU Strategic Environmental research and Development Program (SERDP) [WP2316] FX This work was funded by the Strategic Environmental research and Development Program (SERDP) (WP2316). NR 34 TC 23 Z9 23 U1 9 U2 89 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0013-4686 EI 1873-3859 J9 ELECTROCHIM ACTA JI Electrochim. Acta PD APR 1 PY 2015 VL 160 BP 82 EP 88 DI 10.1016/j.electacta.2015.02.020 PG 7 WC Electrochemistry SC Electrochemistry GA CD5GL UT WOS:000351115900012 ER PT J AU Blum, H AF Blum, Helcio TI The economic efficiency of energy-consuming equipment: a DEA approach SO ENERGY EFFICIENCY LA English DT Article DE Economic efficiency; Energy-efficient equipment; Comparative assessment; Data envelopment analysis; DEA ID DATA ENVELOPMENT ANALYSIS; TECHNOLOGY SELECTION; PERFORMANCE; PRODUCTIVITY; BENCHMARKING; BUILDINGS; TARGETS AB The market for an energy-consuming device offers a range of models that will meet consumers' needs for an energy service with different levels of energy efficiency. A more efficient model is likely to have greater up-front costs, but the increased efficiency will eventually translate into energy cost savings over the device's lifespan. Cost-effectiveness indicators (namely, net benefit and benefit-cost ratio) can be used to assess whether a more efficient model can be a better alternative for consumers. However, whereas these indicators express to what extent the additional benefits outweigh the additional costs, they do not indicate how efficiently each model allocates capital and energy to provide the energy service. They, therefore, lack the economic efficiency dimension of the problem. This paper introduces a data-oriented, non-parametric approach to evaluate such efficiency for a set of alternative models of an energy-consuming device. It relies on data envelopment analysis (DEA) to calculate relative efficiency coefficients. The coefficients establish an input efficient frontier for the energy service provided and indicate the models that provide the energy service at the least cost. DEA is further extended to calculate the highest cost-effectiveness achievable and indicate the most cost-effective alternatives. The approach proves useful to support consumers' decision-making when shopping for energy-consuming equipment, to guide manufacturers when benchmarking the models they produce, and to inform energy efficiency policy-making and program designing. C1 Lawrence Berkeley Natl Lab, Energy Efficiency Stand Grp, Energy Anal & Environm Impacts Dept, Environm Energy Technol Div, Berkeley, CA 94720 USA. RP Blum, H (reprint author), Lawrence Berkeley Natl Lab, Energy Efficiency Stand Grp, Energy Anal & Environm Impacts Dept, Environm Energy Technol Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM HBlum@lbl.gov FU Energy Efficiency and Renewable Energy, Office of Building Technology, State, and Community Programs, of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Building Technology, State, and Community Programs, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. The author acknowledges Luiz F. L. Legey, Universidade Federal do Rio de Janeiro, Brazil, for his thoughtful comments on a draft version of this paper and three anonymous reviewers for their valuable feedback on earlier versions of the paper. NR 48 TC 2 Z9 2 U1 1 U2 13 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1570-646X EI 1570-6478 J9 ENERG EFFIC JI Energy Effic. PD APR PY 2015 VL 8 IS 2 BP 281 EP 298 DI 10.1007/s12053-014-9283-5 PG 18 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Environmental Studies SC Science & Technology - Other Topics; Energy & Fuels; Environmental Sciences & Ecology GA CD7XT UT WOS:000351309600007 ER PT J AU Mills, E Tracy, JL Alstone, P Jacobson, A Avato, P AF Mills, Evan Tracy, Jennifer L. Alstone, Peter Jacobson, Arne Avato, Patrick TI Low-cost LED flashlights and market spoiling in Kenya's off-grid lighting market SO ENERGY EFFICIENCY LA English DT Article DE Quality assurance; Asymmetric information; Energy access; Solid-state lighting; Sub-Saharan Africa ID DEVELOPING-COUNTRIES; QUALITY; ECONOMICS; SYSTEMS AB Market spoiling stemming from information asymmetry has slowed the adoption grid-independent technologies that replace fuel-based lighting in the developing world. End users typically first experience lighting technology innovations via flashlights. The rapid emergence of inexpensive LED flashlights is a potentially good advancement in this regard, as LED lighting can be longer-lived, have higher initial light output, and be more energy-efficient than incandescent. However, our laboratory tests and end user interviews indicate that these products often fall far short of advertised performance levels and typically fail after a few months of use. Our study of purchasing decisions by 23 Kenyan market traders given an opportunity to purchase warrantied LED lamps found that prior experience with inexpensive LED flashlights significantly reduced their probability of purchasing (p = 0.0028). As additional evidence of consumer skepticism, in a large statistical survey, we also find that willingness to pay increases significantly once an LED lighting product is directly handled and tested by the end user. If LED lighting is to achieve its potential as a superior substitute for fuel-based lighting, effective policy measures are needed to remove the information asymmetry between expected and actual performance. One such measure, independent testing and certification, has measurably increased the quality of products available in the off-grid lighting marketplace. C1 [Mills, Evan] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Tracy, Jennifer L.; Avato, Patrick] Int Finance Corp, World Bank Grp, Washington, DC USA. [Alstone, Peter] Univ Calif Berkeley, Energy & Resources Grp, Berkeley, CA 94720 USA. [Jacobson, Arne] Humboldt State Univ, Schatz Energy Res Ctr, Arcata, CA 95521 USA. RP Mills, E (reprint author), Lawrence Berkeley Natl Lab, 1 Cyclotron Rd,MS 90-2000, Berkeley, CA 94720 USA. EM emills@lbl.gov FU Lighting Africa program; Rosenfeld Fund of the Blum Center for Developing Economies at UC Berkeley, through the US Department of Energy [DE-AC02-05CH11231] FX This work was funded by the Lighting Africa program and The Rosenfeld Fund of the Blum Center for Developing Economies at UC Berkeley, through the US Department of Energy under Contract No. DE-AC02-05CH11231. NR 39 TC 0 Z9 0 U1 0 U2 1 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1570-646X EI 1570-6478 J9 ENERG EFFIC JI Energy Effic. PD APR PY 2015 VL 8 IS 2 BP 323 EP 337 DI 10.1007/s12053-014-9294-2 PG 15 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Environmental Studies SC Science & Technology - Other Topics; Energy & Fuels; Environmental Sciences & Ecology GA CD7XT UT WOS:000351309600009 ER PT J AU Rodionova, IA Li, XQ Plymale, AE Motamedchaboki, K Konopka, AE Romine, MF Fredrickson, JK Osterman, AL Rodionov, DA AF Rodionova, Irina A. Li, Xiaoqing Plymale, Andrew E. Motamedchaboki, Khatereh Konopka, Allan E. Romine, Margaret F. Fredrickson, James K. Osterman, Andrei L. Rodionov, Dmitry A. TI Genomic distribution of B-vitamin auxotrophy and uptake transporters in environmental bacteria from the Chloroflexi phylum SO ENVIRONMENTAL MICROBIOLOGY REPORTS LA English DT Article ID ANOXYGENIC PHOTOTROPHIC BACTERIA; SPRING MICROBIAL MATS; SP-NOV; PROKARYOTES; BIOSYNTHESIS; AURANTIACUS; ANNOTATION; PATHWAY AB Bacteria from the Chloroflexi phylum are dominant members of phototrophic microbial mat communities in terrestrial thermal environments. Vitamins of B group are key intermediates (precursors) in the biosynthesis of indispensable enzyme cofactors driving numerous metabolic processes in all forms of life. A genomics-based reconstruction and comparative analysis of respective biosynthetic and salvage pathways and riboswitch regulons in over 20 representative Chloroflexi genomes revealed a widespread auxotrophy for some of the vitamins. The most prominent predicted phenotypic signature, auxotrophy for vitamins B-1 and B-7 was experimentally confirmed for the best studied model organism Chloroflexus aurantiacus. These observations along with identified candidate genes for the respective uptake transporters pointed to B vitamin cross-feeding as an important aspect of syntrophic metabolism in microbial communities. Inferred specificities of homologous substrate-binding components of ABC transporters for vitamins B-1 (ThiY) and B-2 (RibY) were verified by thermofluorescent shift approach. A functional activity of the thiamine-specific transporter ThiXYZ from C.aurantiacus was experimentally verified by genetic complementation in E.coli. Expanding the integrative approach, which was applied here for a comprehensive analysis of B-vitamin metabolism in Chloroflexi would allow reconstruction of metabolic interdependencies in microbial communities. C1 [Rodionova, Irina A.; Li, Xiaoqing; Motamedchaboki, Khatereh; Osterman, Andrei L.; Rodionov, Dmitry A.] Sanford Burnham Med Res Inst, La Jolla, CA 92037 USA. [Plymale, Andrew E.; Konopka, Allan E.; Romine, Margaret F.; Fredrickson, James K.] Pacific NW Natl Lab, Biol Sci Div, Richland, WA 99352 USA. [Rodionov, Dmitry A.] Russian Acad Sci, AA Kharkevich Inst Informat Transmiss Problems, Moscow, Russia. RP Rodionov, DA (reprint author), Sanford Burnham Med Res Inst, La Jolla, CA 92037 USA. EM rodionov@burnham.org OI Romine, Margaret/0000-0002-0968-7641 FU Genomic Science Program (GSP), Office of Biological and Environmental Research (OBER), US Department of Energy (DOE); Russian Science Foundation [14-14-00289] FX This research was supported by the Genomic Science Program (GSP), Office of Biological and Environmental Research (OBER), US Department of Energy (DOE), and is a contribution of the Pacific Northwest National Laboratory (PNNL) Foundational Scientific Focus Area. Additional funding was provided by the Russian Science Foundation (14-14-00289). NR 27 TC 10 Z9 10 U1 5 U2 23 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1758-2229 J9 ENV MICROBIOL REP JI Environ. Microbiol. Rep. PD APR PY 2015 VL 7 IS 2 BP 204 EP 210 DI 10.1111/1758-2229.12227 PG 7 WC Environmental Sciences; Microbiology SC Environmental Sciences & Ecology; Microbiology GA CD9GX UT WOS:000351407300006 PM 25345570 ER PT J AU Jacob, RE Lamm, WJ Einstein, DR Krueger, MA Glenny, RW Corley, RA AF Jacob, Richard E. Lamm, Wayne J. Einstein, Daniel R. Krueger, Melissa A. Glenny, Robb W. Corley, Richard A. TI Comparison of CT-derived ventilation maps with deposition patterns of inhaled microspheres in rats SO EXPERIMENTAL LUNG RESEARCH LA English DT Article DE animal models; CT imaging; fluorescent microspheres; lung; particle deposition; ventilation ID REGISTRATION-BASED MEASURES; LUNG-TISSUE EXPANSION; IMAGE REGISTRATION; HE-3 MRI; PERFUSION; MONKEY; FLOW; HETEROGENEITY; PARTICLES; DOSIMETRY AB Purpose: Computer models for inhalation toxicology and drug-aerosol delivery studies rely on ventilation pattern inputs for predictions of particle deposition and vapor uptake. However, changes in lung mechanics due to disease can impact airflow dynamics and model results. It has been demonstrated that non-invasive, in vivo, 4DCT imaging (3D imaging at multiple time points in the breathing cycle) can be used to map heterogeneities in ventilation patterns under healthy and disease conditions. The purpose of this study was to validate ventilation patterns measured from CT imaging by exposing the same rats to an aerosol of fluorescent microspheres (FMS) and examining particle deposition patterns using cryomicrotome imaging. Materials and Methods: Six male Sprague-Dawley rats were intratracheally instilled with elastase to a single lobe to induce a heterogeneous disease. After four weeks, rats were imaged over the breathing cycle by CT then immediately exposed to an aerosol of similar to 1 mu m FMS for similar to 5 minutes. After the exposure, the lungs were excised and prepared for cryomicrotome imaging, where a 3D image of FMS deposition was acquired using serial sectioning. Cryomicrotome images were spatially registered to match the live CT images to facilitate direct quantitative comparisons of FMS signal intensity with the CT-based ventilation maps. Results: Comparisons of fractional ventilation in contiguous, non-overlapping, 3D regions between CT-based ventilation maps and FMS images showed strong correlations in fractional ventilation (r = 0.888, p < 0.0001). Conclusion: We conclude that ventilation maps derived from CT imaging are predictive of the 1 mu m aerosol deposition used in ventilation-perfusion heterogeneity inhalation studies. C1 [Jacob, Richard E.; Corley, Richard A.] Pacific NW Natl Lab, Hlth Impacts & Exposure Sci, Richland, WA 99352 USA. [Lamm, Wayne J.; Krueger, Melissa A.; Glenny, Robb W.] Univ Washington, Dept Med, Div Pulm & Crit Care Med, Seattle, WA USA. [Einstein, Daniel R.] Pacific NW Natl Lab, Computat Biol, Richland, WA USA. [Einstein, Daniel R.] Univ Washington, Dept Mech Engn, Seattle, WA 98195 USA. [Glenny, Robb W.] Univ Washington, Dept Physiol & Biophys, Seattle, WA 98195 USA. RP Jacob, RE (reprint author), 902 Battelle Blvd,POB 999,MSIN J4-18, Richland, WA 99336 USA. EM richard.jacob@pnnl.gov FU National Heart, Lung, and Blood Institute [R01HL073598]; PNNL through internal Laboratory Directed Research and Development LDRD [DE-AC05-76RL01830] FX This project was supported by Award Number R01HL073598 from the National Heart, Lung, and Blood Institute and by PNNL through internal Laboratory Directed Research and Development LDRD DE-AC05-76RL01830. NR 40 TC 1 Z9 1 U1 1 U2 3 PU INFORMA HEALTHCARE PI LONDON PA TELEPHONE HOUSE, 69-77 PAUL STREET, LONDON EC2A 4LQ, ENGLAND SN 0190-2148 EI 1521-0499 J9 EXP LUNG RES JI Exp. Lung Res. PD APR PY 2015 VL 41 IS 3 BP 135 EP 145 DI 10.3109/01902148.2014.984085 PG 11 WC Respiratory System SC Respiratory System GA CE0WZ UT WOS:000351532600002 PM 25513951 ER PT J AU Piao, SL Yin, GD Tan, JG Cheng, L Huang, MT Li, Y Liu, RG Mao, JF Myneni, RB Peng, SS Poulter, B Shi, XY Xiao, ZQ Zeng, N Zeng, ZZ Wang, YP AF Piao, Shilong Yin, Guodong Tan, Jianguang Cheng, Lei Huang, Mengtian Li, Yue Liu, Ronggao Mao, Jiafu Myneni, Ranga B. Peng, Shushi Poulter, Ben Shi, Xiaoying Xiao, Zhiqiang Zeng, Ning Zeng, ZhenZhong Wang, Yingping TI Detection and attribution of vegetation greening trend in China over the last 30 years SO GLOBAL CHANGE BIOLOGY LA English DT Article DE afforestation; attribution; China; CO2 fertilization effect; detection; greening trend; nitrogen deposition ID LEAF-AREA INDEX; TERRESTRIAL CARBON-CYCLE; NET PRIMARY PRODUCTION; CLIMATE-CHANGE; NITROGEN DEPOSITION; PLANT GEOGRAPHY; FOREST; TEMPERATURE; CO2; ECOSYSTEMS AB The reliable detection and attribution of changes in vegetation growth is a prerequisite for the development of strategies for the sustainable management of ecosystems. This is an extraordinary challenge. To our knowledge, this study is the first to comprehensively detect and attribute a greening trend in China over the last three decades. We use three different satellite-derived Leaf Area Index (LAI) datasets for detection as well as five different process-based ecosystem models for attribution. Rising atmospheric CO2 concentration and nitrogen deposition are identified as the most likely causes of the greening trend in China, explaining 85% and 41% of the average growing-season LAI trend (LAI(GS)) estimated by satellite datasets (average trend of 0.0070yr(-1), ranging from 0.0035yr(-1) to 0.0127yr(-1)), respectively. The contribution of nitrogen deposition is more clearly seen in southern China than in the north of the country. Models disagree about the contribution of climate change alone to the trend in LAI(GS) at the country scale (one model shows a significant increasing trend, whereas two others show significant decreasing trends). However, the models generally agree on the negative impacts of climate change in north China and Inner Mongolia and the positive impact in the Qinghai-Xizang plateau. Provincial forest area change tends to be significantly correlated with the trend of LAI(GS) (P<0.05), and marginally significantly (P=0.07) correlated with the residual of LAI(GS) trend, calculated as the trend observed by satellite minus that estimated by models through considering the effects of climate change, rising CO2 concentration and nitrogen deposition, across different provinces. This result highlights the important role of China's afforestation program in explaining the spatial patterns of trend in vegetation growth. C1 [Piao, Shilong; Yin, Guodong; Tan, Jianguang; Huang, Mengtian; Li, Yue; Peng, Shushi; Zeng, ZhenZhong] Peking Univ, Coll Urban & Environm Sci, Sino French Inst Earth Syst Sci, Beijing 100871, Peoples R China. [Piao, Shilong] Chinese Acad Sci, Inst Tibetan Plateau Res, Ctr Excellence Tibetan Earth Scicence, Beijing 100085, Peoples R China. [Cheng, Lei; Wang, Yingping] Ctr Australian Weather & Climate Res, CSIRO Marine & Atmospher Res, Aspendale, Vic 3195, Australia. [Liu, Ronggao; Shi, Xiaoying] Chinese Acad Sci, Inst Geog Sci & Nat Resources Res, Beijing 100101, Peoples R China. [Mao, Jiafu] Oak Ridge Natl Lab, Climate Change Sci Inst, Oak Ridge, TN USA. [Mao, Jiafu] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Myneni, Ranga B.] Boston Univ, Dept Earth & Environm, Boston, MA 02215 USA. [Poulter, Ben] Montana State Univ, Inst Ecosyst, Bozeman, MT 59717 USA. [Poulter, Ben] Montana State Univ, Dept Ecol, Bozeman, MT 59717 USA. [Xiao, Zhiqiang] Beijing Normal Univ, Sch Geog, Beijing 100875, Peoples R China. [Zeng, Ning] Univ Maryland, Dept Atmospher & Ocean Sci, College Pk, MD 20740 USA. RP Piao, SL (reprint author), Peking Univ, Coll Urban & Environm Sci, Sino French Inst Earth Syst Sci, Beijing 100871, Peoples R China. EM slpiao@pku.edu.cn RI Myneni, Ranga/F-5129-2012; Cheng, Lei/J-5552-2013; Peng, Shushi/J-4779-2014; Zeng, Ning/A-3130-2008; Mao, Jiafu/B-9689-2012; wang, yp/A-9765-2011; OI Peng, Shushi/0000-0001-5098-726X; Zeng, Ning/0000-0002-7489-7629; Mao, Jiafu/0000-0002-2050-7373; Poulter, Benjamin/0000-0002-9493-8600 FU National Basic Research Program of China [2013CB956303]; Chinese Ministry of Environmental Protection Grant [201209031]; National Natural Science Foundation of China [41125004, 31321061]; National Youth Top-notch Talent Support Program in China; 111 Project [B14001]; US Department of Energy (DOE), Office of Science, Biological and Environmental Research; DOE [DE-AC05-00OR22725] FX This study was supported by the National Basic Research Program of China (Grant No. 2013CB956303), Chinese Ministry of Environmental Protection Grant (201209031), National Natural Science Foundation of China (41125004 and 31321061), National Youth Top-notch Talent Support Program in China and the 111 Project (B14001). Jiafu Mao and Xiaoying Shi are supported by the US Department of Energy (DOE), Office of Science, Biological and Environmental Research. Oak Ridge National Laboratory is managed by UT-BATTELLE for DOE under contract DE-AC05-00OR22725. The simulation of CLM is supported by the US Department of Energy (DOE), Office of Science, Biological and Environmental Research. Oak Ridge National Laboratory is managed by UT-BATTELLE for DOE under contract DE-AC05-00OR22725. NR 65 TC 34 Z9 37 U1 26 U2 114 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1354-1013 EI 1365-2486 J9 GLOBAL CHANGE BIOL JI Glob. Change Biol. PD APR PY 2015 VL 21 IS 4 BP 1601 EP 1609 DI 10.1111/gcb.12795 PG 9 WC Biodiversity Conservation; Ecology; Environmental Sciences SC Biodiversity & Conservation; Environmental Sciences & Ecology GA CD6QM UT WOS:000351214100022 PM 25369401 ER PT J AU Lara, MJ McGuire, AD Euskirchen, ES Tweedie, CE Hinkel, KM Skurikhin, AN Romanovsky, VE Grosse, G Bolton, WR Genet, H AF Lara, Mark J. McGuire, A. David Euskirchen, Eugenie S. Tweedie, Craig E. Hinkel, Kenneth M. Skurikhin, Alexei N. Romanovsky, Vladimir E. Grosse, Guido Bolton, W. Robert Genet, Helene TI Polygonal tundra geomorphological change in response to warming alters future CO2 and CH4 flux on the Barrow Peninsula SO GLOBAL CHANGE BIOLOGY LA English DT Article DE arctic; carbon balance; classification; climate warming; negative feedback; polygonal tundra; thaw-lake cycle; thermokarst ID ARCTIC COASTAL-PLAIN; THAW-LAKE BASINS; ACTIVE-LAYER THICKNESS; CLIMATE-CHANGE; CLASSIFICATION ACCURACY; PERMAFROST CARBON; GLOBAL CHANGE; NET CO2; ALASKA; VEGETATION AB The landscape of the Barrow Peninsula in northern Alaska is thought to have formed over centuries to millennia, and is now dominated by ice-wedge polygonal tundra that spans drained thaw-lake basins and interstitial tundra. In nearby tundra regions, studies have identified a rapid increase in thermokarst formation (i.e., pits) over recent decades in response to climate warming, facilitating changes in polygonal tundra geomorphology. We assessed the future impact of 100years of tundra geomorphic change on peak growing season carbon exchange in response to: (i) landscape succession associated with the thaw-lake cycle; and (ii) low, moderate, and extreme scenarios of thermokarst pit formation (10%, 30%, and 50%) reported for Alaskan arctic tundra sites. We developed a 30x30m resolution tundra geomorphology map (overall accuracy:75%; Kappa:0.69) for our similar to 1800km(2) study area composed of ten classes; drained slope, high center polygon, flat-center polygon, low center polygon, coalescent low center polygon, polygon trough, meadow, ponds, rivers, and lakes, to determine their spatial distribution across the Barrow Peninsula. Land-atmosphere CO2 and CH4 flux data were collected for the summers of 2006-2010 at eighty-two sites near Barrow, across the mapped classes. The developed geomorphic map was used for the regional assessment of carbon flux. Results indicate (i) at present during peak growing season on the Barrow Peninsula, CO2 uptake occurs at -902.3 10(6)gC-CO(2)day(-1) (uncertainty using 95% CI is between -438.3 and -1366 10(6)gC-CO(2)day(-1)) and CH4 flux at 28.9 10(6)gC-CH(4)day(-1)(uncertainty using 95% CI is between 12.9 and 44.9 10(6)gC-CH(4)day(-1)), (ii) one century of future landscape change associated with the thaw-lake cycle only slightly alter CO2 and CH4 exchange, while (iii) moderate increases in thermokarst pits would strengthen both CO2 uptake (-166.9 10(6)gC-CO(2)day(-1)) and CH4 flux (2.8 10(6)gC-CH(4)day(-1)) with geomorphic change from low to high center polygons, cumulatively resulting in an estimated negative feedback to warming during peak growing season. C1 [Lara, Mark J.; Euskirchen, Eugenie S.; Genet, Helene] Univ Alaska, Inst Arctic Biol, Fairbanks, AK 99775 USA. [McGuire, A. David] Univ Alaska, US Geol Survey, Alaska Cooperat Fish & Wildlife Unit, Fairbanks, AK 99775 USA. [Tweedie, Craig E.] Univ Texas El Paso, Dept Biol Sci, El Paso, TX 79968 USA. [Hinkel, Kenneth M.] Univ Cincinnati, Dept Geog, Cincinnati, OH 45221 USA. [Skurikhin, Alexei N.] Los Alamos Natl Lab, Intelligence & Space Res Div, Los Alamos, NM 87545 USA. [Romanovsky, Vladimir E.] Univ Alaska Fairbanks, Inst Geophys, Fairbanks, AK 99775 USA. [Romanovsky, Vladimir E.] Tyumen State Oil & Gas Univ, Tyumen, Russia. [Grosse, Guido] Helmholtz Ctr Polar & Marine Res, Alfred Wegener Inst, Periglacial Res Unit, Potsdam, Germany. [Bolton, W. Robert] Univ Alaska, Int Arctic Res Ctr, Fairbanks, AK 99775 USA. RP Lara, MJ (reprint author), Univ Alaska, Inst Arctic Biol, Fairbanks, AK 99775 USA. EM mjlara@alaska.edu RI Grosse, Guido/F-5018-2011; OI Grosse, Guido/0000-0001-5895-2141; Skurikhin, Alexei/0000-0001-5606-4933 FU Office of Biological and Environmental Research in the U.S. Department of Energy Office of Science; Next-Generation Ecosystem Experiments (NGEE-Arctic) project - USGS Alaska Climate Science Center; Integrated Ecosystem Model for Alaska and Northwest Canada project - Arctic Boreal Landscape Conservation Cooperative; Integrated Ecosystem Model for Alaska and Northwest Canada project - Western Boreal Landscape Conservation Cooperative; Integrated Ecosystem Model for Alaska and Northwest Canada project - Northwest Boreal Landscape Conservation Cooperative; National Science Foundation, Office of Polar Programs [ANS-0732885] FX The long history of research in the Barrow region and the accessibility of data products from the National Snow and Ice Data Center (NSIDC), Digital Globe, and United States Geological Survey (USGS) made this analysis possible. This study was supported through (i) the Next-Generation Ecosystem Experiments (NGEE-Arctic) project supported by the Office of Biological and Environmental Research in the U.S. Department of Energy Office of Science, (ii) the Integrated Ecosystem Model for Alaska and Northwest Canada project supported by the USGS Alaska Climate Science Center and by the Arctic, Western, and Northwest Boreal Landscape Conservation Cooperatives, and (iii) the National Science Foundation, Office of Polar Programs (grant no. ANS-0732885). Any use of trade, firm, or product names is for descriptive purposes only and does not imply endorsement by the U.S. Government. NR 96 TC 15 Z9 15 U1 13 U2 59 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1354-1013 EI 1365-2486 J9 GLOBAL CHANGE BIOL JI Glob. Change Biol. PD APR PY 2015 VL 21 IS 4 BP 1634 EP 1651 DI 10.1111/gcb.12757 PG 18 WC Biodiversity Conservation; Ecology; Environmental Sciences SC Biodiversity & Conservation; Environmental Sciences & Ecology GA CD6QM UT WOS:000351214100025 PM 25258295 ER PT J AU Palmintier, B Lundstrom, B Chakraborty, S Williams, T Schneider, K Chassin, D AF Palmintier, Bryan Lundstrom, Blake Chakraborty, Sudipta Williams, Tess Schneider, Kevin Chassin, David TI A Power Hardware-in-the-Loop Platform With Remote Distribution Circuit Cosimulation SO IEEE TRANSACTIONS ON INDUSTRIAL ELECTRONICS LA English DT Article DE Cosimulation; distributed power generation; power hardware-in-the-loop (PHIL); power system simulation; solar power generation; testing; voltage control ID INTERFACE ALGORITHMS; SIMULATION; SYSTEMS; DESIGN AB This paper demonstrates a novel cosimulation architecture that integrates hardware testing using power hardware-in-the-loop (PHIL) techniques with larger-scale electric grid models using off-the-shelf non-PHIL software tools. This test bed for distributed integration enables utilities to study the impacts of emerging energy technologies on their system and manufacturers to explore the interactions of new devices with existing and emerging devices on the power system, both without the need to convert existing grid models to a new platform or to conduct in-field trials. This paper describes an implementation of this architecture for testing two residential-scale advanced solar inverters at separate points of common coupling (PCCs). The same hardware setup is tested with two different distribution feeders (IEEE 123 and 8500 node test systems) modeled using GridLAB-D. In addition to simplifying testing with multiple feeders, the architecture demonstrates additional flexibility with hardware testing in one location linked via the Internet to software modeling in a remote location. In testing, the inverter current, real and reactive power, and PCC voltage are well captured by the cosimulation platform. Testing of the inverter advanced control features is currently somewhat limited by the software model time step (1 s) and tested communication latency (24 ms). These limitations could be overcome using faster modeling and communication within the same cosimulation architecture. C1 [Palmintier, Bryan; Lundstrom, Blake; Chakraborty, Sudipta] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Williams, Tess; Schneider, Kevin; Chassin, David] Pacific NW Natl Lab, Seattle, WA 99354 USA. RP Palmintier, B (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM bryanp@ieee.org; blake.lundstrom@nrel.gov; sudipta.chakraborty@nrel.gov; tess.williams@pnnl.gov; kevin.schneider@pnnl.gov; David.Chassin@pnnl.gov FU National Renewable Energy Laboratory; Department of Energy (DOE) [DOE-AC36-08-GO28308]; Pacific Northwest National Laboratory; U.S. DOE [DE-AC06-76RL01830]; DOE Office of Energy Efficiency and Renewable Energy (EERE) Postdoctoral Research Awards under the EERE Solar Program; DOE [DE-AC05-06OR23100] FX This work was supported in part by the National Renewable Energy Laboratory operated for the Department of Energy (DOE) by the Alliance for Sustainable Energy, LLC under Contract DOE-AC36-08-GO28308, in part by the Pacific Northwest National Laboratory operated for the U.S. DOE by Battelle under Contract DE-AC06-76RL01830, and in part by the DOE Office of Energy Efficiency and Renewable Energy (EERE) Postdoctoral Research Awards under the EERE Solar Program administered by the Oak Ridge Institute for Science and Education (ORISE). ORISE is managed by Oak Ridge Associated Universities under DOE Contract DE-AC05-06OR23100. NR 32 TC 7 Z9 7 U1 1 U2 5 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0278-0046 EI 1557-9948 J9 IEEE T IND ELECTRON JI IEEE Trans. Ind. Electron. PD APR PY 2015 VL 62 IS 4 BP 2236 EP 2245 DI 10.1109/TIE.2014.2367462 PG 10 WC Automation & Control Systems; Engineering, Electrical & Electronic; Instruments & Instrumentation SC Automation & Control Systems; Engineering; Instruments & Instrumentation GA CD9GL UT WOS:000351406000021 ER PT J AU Frey, SE Destaillats, H Cohn, S Ahrentzen, S Fraser, MP AF Frey, S. E. Destaillats, H. Cohn, S. Ahrentzen, S. Fraser, M. P. TI The effects of an energy efficiency retrofit on indoor air quality SO INDOOR AIR LA English DT Article DE Particulate matter; Formaldehyde; Senior housing; Phoenix; Arizona ID SECONDARY POLLUTANTS; VENTILATION FILTERS; PARTICULATE MATTER; PARTICLE MONITORS; FINE PARTICLES; HUMAN HEALTH; FORMALDEHYDE; EMISSIONS; OZONE; RESIDENCES AB To investigate the impacts of an energy efficiency retrofit, indoor air quality and resident health were evaluated at a low-income senior housing apartment complex in Phoenix, Arizona, before and after a green energy building renovation. Indoor and outdoor air quality sampling was carried out simultaneously with a questionnaire to characterize personal habits and general health of residents. Measured indoor formaldehyde levels before the building retrofit routinely exceeded reference exposure limits, but in the long-term follow-up sampling, indoor formaldehyde decreased for the entire study population by a statistically significant margin. Indoor PM levels were dominated by fine particles and showed a statistically significant decrease in the long-term follow-up sampling within certain resident subpopulations (i.e. residents who report smoking and residents who had lived longer at the apartment complex). C1 [Frey, S. E.] Arizona State Univ, Dept Chem & Biochem, Tempe, AZ USA. [Destaillats, H.; Cohn, S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Indoor Environm Grp, Berkeley, CA 94720 USA. [Ahrentzen, S.] Univ Florida, Rinker Sch Construct Management, Gainesville, FL USA. [Fraser, M. P.] Arizona State Univ, Sch Sustainable Engn & Built Environm, Tempe, AZ USA. RP Destaillats, H (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Indoor Environm Grp, Berkeley, CA 94720 USA. EM hdestaillats@lbl.gov; matthew.fraser@asu.edu FU US Department of Housing and Urban Development FX Funding was provided by the US Department of Housing and Urban Development. We gratefully acknowledge the assistance of the staff of the City of Phoenix Housing Department, Patrick Montgomery, Drew Bryck, Ernesto Fonseca, John Ball, Kim Shea, William Johnson, Mookesh Patel, and Amandine Montalbano. NR 42 TC 5 Z9 5 U1 3 U2 36 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0905-6947 EI 1600-0668 J9 INDOOR AIR JI Indoor Air PD APR PY 2015 VL 25 IS 2 BP 210 EP 219 DI 10.1111/ina.12134 PG 10 WC Construction & Building Technology; Engineering, Environmental; Public, Environmental & Occupational Health SC Construction & Building Technology; Engineering; Public, Environmental & Occupational Health GA CD9RZ UT WOS:000351437300008 PM 24920242 ER PT J AU Berryman, JG AF Berryman, James G. TI Elastic behavior of random polycrystals composed of anisotropic alpha-quartz (SiO2) under pressure SO INTERNATIONAL JOURNAL OF ENGINEERING SCIENCE LA English DT Article DE Granular media; Quartz; Pressure response; Hashin-Shtrikman bounds; Voigt-Reuss bounds; Self-consistent estimates; Polycrystals; Elastic constants ID HASHIN-SHTRIKMAN BOUNDS; TETRAGONAL SYMMETRIES; MODULI; CONSTANTS AB This work presents several sets of results for granular media all composed of quartz (SiO2) and all having grains with trigonal (six constant) elastic symmetry. In some cases, the samples had significant amounts of external pressure (up to 20 GPa) applied to the quartz samples while the elastic constants were being either measured or simulated. In other examples, the temperatures ranged from room temperature down to values approaching absolute zero. In addition to the traditional Voigt and Reuss bounds on effective isotropic bulk and shear moduli, the Hashin-Shtrikman bounds of these elastic moduli have also been computed in all these examples. We find that the Hashin-Shtrikman bounds provide a significant tightening of the traditional bounds on the moduli in most cases. Rarely, the Hashin-Shtrikman upper bounds for shear modulus may coincide with Voigt estimates of the shear modulus. More typically we find the HS bounds on both shear and bulk modulus are so close that their averaged values (called here the "self-consistent average" estimates) for both bulk and shear modulus values are tightly constrained by the HS bounds themselves. In contrast, the traditional VRH (Voigt-Reuss-Hill) estimates of the moduli often lie outside of the HS bounds, thus giving reasons for doubting the accuracy of VRH estimates in general - and especially for pressurized samples. Of the eight scenarios considered in the paper, four have substantial confining pressures (10 or 20 GPa), and four have zero confining pressure. One general distinction arising in these particular data sets is observed: when the confining pressure is negligible, the VRH estimates are found always to lie inside the Hashin-Shtrikman bounds. In contrast, when the confining pressure is P = 10 GPa or higher the VRH estimates of bulk and shear moduli both lie outside the Hashin-Shtrikman bounds. (C) 2014 Elsevier Ltd. All rights reserved. C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Berryman, JG (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, One Cyclotron Rd MS 74R316C, Berkeley, CA 94720 USA. EM JGBerryman@LBL.GOV FU U.S. Department of Energy, at the Lawrence Berkeley National Laboratory [DE-AC02-05CH11231]; Geosciences Research Program of the DOE Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences FX The author thanks Steven R. Pride for helpful comments on the range of likely pressures to be observed in the earth at depth. Work performed under the auspices of the U.S. Department of Energy, at the Lawrence Berkeley National Laboratory under Contract No. DE-AC02-05CH11231. Support was provided specifically by the Geosciences Research Program of the DOE Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences. NR 17 TC 0 Z9 0 U1 6 U2 13 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0020-7225 EI 1879-2197 J9 INT J ENG SCI JI Int. J. Eng. Sci. PD APR PY 2015 VL 89 BP 121 EP 132 DI 10.1016/j.ijengsci.2014.12.003 PG 12 WC Engineering, Multidisciplinary SC Engineering GA CD8BJ UT WOS:000351319900008 ER PT J AU Jeldes, IA Vence, NE Drumm, EC AF Jeldes, Isaac A. Vence, Nicholas E. Drumm, Eric C. TI Approximate Solution to the Sokolovskii Concave Slope at Limiting Equilibrium SO INTERNATIONAL JOURNAL OF GEOMECHANICS LA English DT Article DE Concave slopes; Slope stability; Soil erosion; Slip-line field theory; Critical slope surface ID STABILITY ANALYSIS; EROSION AB The growth of precision autoguidance systems on construction equipment suggests that nonplanar slopes and landforms now can be constructed readily. Slopes with concave cross sections not only appear more like natural slopes, but can also have superior stability and erosion resistance. Thus, it is desirable to have the description of concave slopes that provide mechanical stability for a given set of soil properties. In this paper, an approximate solution that defines the geometry of critical concave slopes (factor of safety approximate to 1) in a frictional medium is developed, based on the slip-line field method. The approximate solution is compared with previous numerical results and validated via limit-equilibrium method and FEM analyses. The proposed solution is simple in form, and, when implemented with precision construction equipment, will allow the construction of embankments and reclaimed mine lands that appear more like those in nature and yet are more resistant to erosion. (c) 2014 American Society of Civil Engineers. C1 [Jeldes, Isaac A.] Univ Tennessee, Dept Civil & Environm Engn, Knoxville, TN 37996 USA. [Vence, Nicholas E.] Oak Ridge Natl Lab, Joint Inst Computat Sci, Oak Ridge, TN 37831 USA. [Drumm, Eric C.] Univ Tennessee, Dept Biosyst Engn & Soil Sci, Knoxville, TN 37996 USA. RP Drumm, EC (reprint author), Univ Tennessee, Dept Biosyst Engn & Soil Sci, Knoxville, TN 37996 USA. EM ijeldes@utk.edu; nevence@utk.edu; edrumm@utk.edu OI Drumm, Eric/0000-0001-9491-0934 NR 27 TC 6 Z9 6 U1 10 U2 19 PU ASCE-AMER SOC CIVIL ENGINEERS PI RESTON PA 1801 ALEXANDER BELL DR, RESTON, VA 20191-4400 USA SN 1532-3641 EI 1943-5622 J9 INT J GEOMECH JI Int. J. Geomech. PD APR PY 2015 VL 15 IS 2 AR 04014049 DI 10.1061/(ASCE)GM.1943-5622.0000330 PG 8 WC Engineering, Geological SC Engineering GA CD9PD UT WOS:000351429400002 ER PT J AU Baled, HO Tapriyal, D Morreale, BD Soong, Y Gamwo, I Krukonis, V Bamgbade, BA Wu, Y McHugh, MA Burgess, WA Enick, RM AF Baled, Hseen O. Tapriyal, Deepak Morreale, Bryan D. Soong, Yee Gamwo, Isaac Krukonis, Val Bamgbade, Babatunde A. Wu, Yue McHugh, Mark A. Burgess, Ward A. Enick, Robert M. TI Exploratory Characterization of a Perfluoropolyether Oil as a Possible Viscosity Standard at Deepwater Production Conditions of 533 K and 241 MPa (vol 34, pg 1845, 2013) SO INTERNATIONAL JOURNAL OF THERMOPHYSICS LA English DT Correction C1 [Baled, Hseen O.; Tapriyal, Deepak; Morreale, Bryan D.; Soong, Yee; Gamwo, Isaac; Bamgbade, Babatunde A.; Wu, Yue; McHugh, Mark A.; Burgess, Ward A.; Enick, Robert M.] Natl Energy Technol Lab, Off Res & Dev, Dept Energy, Pittsburgh, PA 15236 USA. [Baled, Hseen O.; Enick, Robert M.] Univ Pittsburgh, Dept Chem & Petr Engn, Pittsburgh, PA 15261 USA. [Tapriyal, Deepak] URS, NETL Site Support Contractor, Pittsburgh, PA 15236 USA. [Krukonis, Val] Phasex Corp, Lawrence, MA 01843 USA. [Bamgbade, Babatunde A.; Wu, Yue; McHugh, Mark A.] Virginia Commonwealth Univ, Dept Chem & Life Sci Engn, Richmond, VA 23284 USA. RP Enick, RM (reprint author), Univ Pittsburgh, Dept Chem & Petr Engn, 1249 Benedum Engn Hall,3700 OHara St, Pittsburgh, PA 15261 USA. EM rme@pitt.edu NR 1 TC 1 Z9 1 U1 3 U2 6 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0195-928X EI 1572-9567 J9 INT J THERMOPHYS JI Int. J. Thermophys. PD APR PY 2015 VL 36 IS 4 BP 807 EP 808 DI 10.1007/s10765-014-1819-6 PG 2 WC Thermodynamics; Chemistry, Physical; Mechanics; Physics, Applied SC Thermodynamics; Chemistry; Mechanics; Physics GA CD8ZN UT WOS:000351385500016 ER PT J AU Shrestha, S Abdalla, M Hennessy, T Forristal, D Jones, MB AF Shrestha, S. Abdalla, M. Hennessy, T. Forristal, D. Jones, M. B. TI Irish farms under climate change - is there a regional variation on farm responses? SO JOURNAL OF AGRICULTURAL SCIENCE LA English DT Article ID CHANGE IMPACTS; ELEVATED CO2; POTENTIAL IMPACTS; MAIZE PRODUCTION; UNITED-STATES; WINTER-WHEAT; PLANT-GROWTH; ADAPTATION; IRELAND; YIELD AB The current paper aims to determine regional impacts of climate change on Irish farms examining the variation in farm responses. A set of crop growth models were used to determine crop and grass yields under a baseline scenario and a future climate scenario. These crop and grass yields were used along with farm-level data taken from the Irish National Farm Survey in an optimizing farm-level (farm-level linear programming) model, which maximizes farm profits under limiting resources. A change in farm net margins under the climate change scenario compared to the baseline scenario was taken as a measure to determine the effect of climate change on farms. The growth models suggested a decrease in cereal crop yields (up to 9%) but substantial increase in yields of forage maize (up to 97%) and grass (up to 56%) in all regions. Farms in the border, midlands and south-east regions suffered, whereas farms in all other regions generally fared better under the climate change scenario used in the current study. The results suggest that there is a regional variability between farms in their responses to the climate change scenario. Although substituting concentrate feed with grass feeds is the main adaptation on all livestock farms, the extent of such substitution differs between farms in different regions. For example, large dairy farms in the south-east region adopted total substitution of concentrate feed while similar dairy farms in the south-west region opted to replace only 0.30 of concentrate feed. Farms in most of the regions benefitted from increasing stocking rate, except for sheep farms in the border and dairy farms in the south-east regions. The tillage farms in the mid-east region responded to the climate change scenario by shifting arable production to beef production on farms. C1 [Shrestha, S.] Environm & Soc Scottish Rural Coll, Land Econ, Edinburgh, Midlothian, Scotland. [Abdalla, M.; Jones, M. B.] Trinity Coll Dublin, Sch Nat Sci, Dept Bot, Dublin, Ireland. [Abdalla, M.] Univ Aberdeen, Sch Biol Sci, Inst Biol & Environm Sci, Aberdeen, Scotland. [Hennessy, T.] TEAGASC, RERC, Athenry, Co Galway, Ireland. [Forristal, D.] TEAGASC, Oak Pk Crops Res Ctr, Athenry, Carlow, Ireland. RP Shrestha, S (reprint author), Environm & Soc Scottish Rural Coll, Land Econ, Edinburgh, Midlothian, Scotland. EM shailesh.shrestha@sruc.ac.uk NR 77 TC 1 Z9 1 U1 2 U2 19 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0021-8596 EI 1469-5146 J9 J AGR SCI-CAMBRIDGE JI J. Agric. Sci. PD APR PY 2015 VL 153 IS 3 BP 385 EP 398 DI 10.1017/S0021859614000331 PG 14 WC Agriculture, Multidisciplinary SC Agriculture GA CD9JP UT WOS:000351414900001 ER PT J AU Gilchrest, BA Campisi, J Chang, HY Fisher, GJ Kulesz-Martin, MF AF Gilchrest, Barbara A. Campisi, Judith Chang, Howard Y. Fisher, Gary J. Kulesz-Martin, Molly F. TI Montagna Symposium 2014-Skin Aging: Molecular Mechanisms and Tissue Consequences SO JOURNAL OF INVESTIGATIVE DERMATOLOGY LA English DT Article C1 [Gilchrest, Barbara A.] Massachusetts Gen Hosp, Dermatol Serv, Boston, MA 02114 USA. [Campisi, Judith] Buck Inst Res Aging, Novato, CA USA. [Campisi, Judith] Lawrence Berkeley Natl Lab, Novato, CA USA. [Chang, Howard Y.] Stanford Univ, Dept Dermatol, Stanford, CA 94305 USA. [Fisher, Gary J.] Univ Michigan, Dept Dermatol, Ann Arbor, MI 48109 USA. [Kulesz-Martin, Molly F.] Oregon Hlth & Sci Univ, Dept Dermatol, Portland, OR 97239 USA. RP Kulesz-Martin, MF (reprint author), Oregon Hlth & Sci Univ, Dept Dermatol, L468R,3181 SW Sam Jackson Pk Rd, Portland, OR 97239 USA. EM kuleszma@ohsu.edu FU National Institute of Arthritis and Musculoskeletal and Skin Diseases; National Institute of Aging [R13 AR009431]; Estee Lauder Companies; Galderma International; Advancing Innovation in Dermatology; DUSA Pharmaceuticals; Johnson and Johnson Consumer and Personal Products Worldwide; KYTHERA Bio-pharmaceuticals; Living Proof; Procter and Gamble Company; Valeant Pharmaceuticals North America LLC; Maruho Company; Orentreich Family Foundation FX The Montagna Symposium on the Biology of Skin is supported by the National Institute of Arthritis and Musculoskeletal and Skin Diseases and the National Institute of Aging (R13 AR009431). Other 2014 supporters included the following: The Estee Lauder Companies; Galderma International; Advancing Innovation in Dermatology; DUSA Pharmaceuticals; Johnson and Johnson Consumer and Personal Products Worldwide; KYTHERA Bio-pharmaceuticals; Living Proof; The Procter and Gamble Company; Curtis T. Thompson; Valeant Pharmaceuticals North America LLC; Maruho Company; The Orentreich Family Foundation; and Joel S. Gordon. Loa Nowina-Sapinski and Clara Stemwedel assisted in the preparation of this manuscript. The Montagna Symposium on the Biology of Skin, directed by Molly F. KuleszMartin, is an annual nonprofit scientific meeting, inaugurated in 1950 by William Montagna, that gathers leading cutaneous biologists and dermatologists to discuss new findings, techniques, and goals in skin biology. Podcast interviews of Symposium invited speakers are available at http://www.nature.com/jid/skinpod/index.html, and blog posts from the meeting may be found at http://www.scilogs.com/jid/category/meeting-notes/. NR 0 TC 2 Z9 2 U1 1 U2 1 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 0022-202X EI 1523-1747 J9 J INVEST DERMATOL JI J. Invest. Dermatol. PD APR PY 2015 VL 135 IS 4 BP 950 EP 953 DI 10.1038/jid.2014.546 PG 4 WC Dermatology SC Dermatology GA CD6GW UT WOS:000351188600008 PM 25785950 ER PT J AU Ripoll, JD Mejia, SM Mills, MJL Villa, AL AF Ripoll, Juan D. Mejia, Sol M. Mills, Matthew J. L. Villa, Aida L. TI Understanding the azeotropic diethyl carbonate-water mixture by structural and energetic characterization of DEC(H2O)(n) heteroclusters SO JOURNAL OF MOLECULAR MODELING LA English DT Article DE Oxygenated fuel-water azeotrope; Non-covalent interaction; Stochastic exploration; Electron density topology; Cooperative effect ID CENTER-DOT-O; AB-INITIO; MOLECULAR-INTERACTIONS; DIMETHYL CARBONATE; BINDING-ENERGIES; MATRIX-ISOLATION; HYDROGEN-BONDS; ETHANOL; CLUSTERS; EMISSIONS AB Diethyl carbonate (DEC) is an oxygenated fuel additive. During its synthesis through a promising green process, a DEC-water azeotrope is formed, which decreases DEC production efficiency in the gas phase. Molecular information about this system is scarce but could be of benefit in understanding (and potentially improving) the synthetic process. Therefore, we report a detailed computational study of the conformers of DEC, and their microsolvation with up to four water molecules, with the goal of understanding the observed 1:3 DEC:H2O molar ratio. The most stable DEC conformers (with mutual energy differences < 1.5 kcal mol(-1)) contribute to the energetic and structural properties of the complexes. An exhaustive stochastic exploration of each potential energy surface of DEC-(H2O)(n), (where n=1, 2, 3, 4) heteroclusters discovered 3, 8, 7, and 4 heterodimers, heterotrimers, heterotetramers, and heteropentamers, respectively, at the MP2/6-311++G(d,p) level of theory. DEC conformers and energies of the most stable structures at each heterocluster size were refined using CCSD(T)/6-311++G(d,p). Energy decomposition, electron density topology, and cooperative effects analyses were carried out to determine the relationship between the geometrical features of the heteroclusters and the non-covalent interaction types responsible for their stabilization. Our findings show that electrostatic and exchange energies are responsible for heterocluster stabilization, and also suggest a mutual weakening among hydrogen bonds when more than three water molecules are present. All described results are complementary and suggest a structural and energetic explanation at the molecular level for the experimental molar ratio of 1:3 (DEC:H2O) for the DEC-water azeotrope. C1 [Ripoll, Juan D.; Villa, Aida L.] Univ Antioquia, Fac Engn, Dept Chem Engn, Environm Catalysis Res Grp, Medellin, Colombia. [Mejia, Sol M.] Pontificia Univ Javeriana, GIFUJ, Dept Quim, Fac Ciencias, Bogota, DC, Colombia. [Mills, Matthew J. L.] Joint BioEnergy Inst, Deconstruct Div, Emeryville, CA USA. [Mills, Matthew J. L.] Sandia Natl Labs, Biomass Sci & Convers Technol Dept, Livermore, CA USA. RP Mejia, SM (reprint author), Pontificia Univ Javeriana, GIFUJ, Dept Quim, Fac Ciencias, Carrera 7 40-62, Bogota, DC, Colombia. EM sol.mejia@javeriana.edu.co FU Universidad de Antioquia; Pontifica Universidad Javeriana; Colciencias FX The authors would like to thank the Universidad de Antioquia (Sustainability Strategy 2013-2014) and the Pontifica Universidad Javeriana for financial support of this work. J.D.R. thanks "Colciencias" and the Universidad de Antioquia for his PhD scholarship. Additionally, great gratitude is due to Professor Albeiro Restrepo for permission to use the ASCEC program. NR 60 TC 0 Z9 0 U1 5 U2 14 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1610-2940 EI 0948-5023 J9 J MOL MODEL JI J. Mol. Model. PD APR PY 2015 VL 21 IS 4 AR 93 DI 10.1007/s00894-015-2593-5 PG 13 WC Biochemistry & Molecular Biology; Biophysics; Chemistry, Multidisciplinary; Computer Science, Interdisciplinary Applications SC Biochemistry & Molecular Biology; Biophysics; Chemistry; Computer Science GA CE0ER UT WOS:000351477800027 PM 25786831 ER PT J AU Durand, AM Hamil, TJ Belanger, DP Chi, S Ye, F Fernandez-Baca, JA Abdollahian, Y Booth, CH AF Durand, A. M. Hamil, T. J. Belanger, D. P. Chi, S. Ye, F. Fernandez-Baca, J. A. Abdollahian, Y. Booth, C. H. TI The effects of Co3O4 on the structure and unusual magnetism of LaCoO3 SO JOURNAL OF PHYSICS-CONDENSED MATTER LA English DT Article DE magnetism; interfaces; antiferromagnetism; ferromagnetism; strain ID SPIN-STATE; NEUTRON-DIFFRACTION; PHASE-TRANSITIONS; LA1-XSRXCOO3; TEMPERATURE; NANOPARTICLES; SCATTERING; PRESSURE AB Bulk LawCoO3 particles with w = 1.1, 1.0, 0.9, 0.8, and 0.7 were synthesized using starting materials with varying molar ratios of La2O3 and Co3O4. The resulting particles are characterized as LaCoO3 crystals interfaced with a crystalline Co3O4 phase. X-ray and neutron scattering data show little effect on the average structure and lattice parameters of the LaCoO3 phase resulting from the Co3O4 content, but magnetization data indicate that the amount of Co3O4 strongly affects the ferromagnetic ordering at the interfaces below T-C approximate to 89 K. In addition to ferromagnetic long-range order, LaCoO3 exhibits antiferromagnetic behavior with an unusual temperature dependence. The magnetization for fields 20 Oe <= H <= 5 kOe is fit to a combination of a power law ((T - T-C)/T-C)(beta) behavior representing the ferromagnetic long-range order and sigmoid-convoluted Curie-Weiss-like behavior representing the antiferromagnetic behavior. The critical exponent beta = 0.63 +/- 0.02 is consistent with 2D (surface) ordering. Increased Co3O4 correlates well to increased ferromagnetism. The weakening of the antiferromagnetism below T approximate to 40K is a consequence of the lattice reaching a critical rhombahedral distortion as T is decreased for core regions far from the Co3O4 interfaces. We introduce a model that describes the ferromagnetic behavior of the interface regions and the unusual antiferromagnetism of the core regions. C1 [Durand, A. M.; Hamil, T. J.; Belanger, D. P.] Univ Calif Santa Cruz, Dept Phys, Santa Cruz, CA 95064 USA. [Chi, S.; Ye, F.] Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA. [Fernandez-Baca, J. A.] Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA. [Abdollahian, Y.] Univ Calif Santa Cruz, Dept Chem, Santa Cruz, CA 95064 USA. [Booth, C. H.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Fernandez-Baca, J. A.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. RP Durand, AM (reprint author), Univ Calif Santa Cruz, Dept Phys, Santa Cruz, CA 95064 USA. EM adurand@ucsc.edu RI Ye, Feng/B-3210-2010; Chi, Songxue/A-6713-2013; Fernandez-Baca, Jaime/C-3984-2014 OI Ye, Feng/0000-0001-7477-4648; Chi, Songxue/0000-0002-3851-9153; Fernandez-Baca, Jaime/0000-0001-9080-5096 FU DOE BES Office of Scientific User Facilities; Office of Science (OS), Office of Basic Energy Sciences (OBES), of the US Department of Energy (DOE) [DE-AC02-05CH11231]; NSF Major Research Instrumentation (MRI) Program [DMR-1126845] FX We thank F Bridges, A M Coogan, A Elvin, B Harmon, and S Shastry for helpful discussions and/or assistance with measurements. Special thanks are given to A P Ramirez for the use of his magnetometer and lab at University of California, Santa Cruz. The work at the High Flux Isotope Reactor at ORNL was supported by the DOE BES Office of Scientific User Facilities. Work at Lawrence Berkeley National Laboratory was supported by the Director, Office of Science (OS), Office of Basic Energy Sciences (OBES), of the US Department of Energy (DOE) under Contract No. DE-AC02-05CH11231. The x-ray data in this work were recorded on an instrument supported by the NSF Major Research Instrumentation (MRI) Program under Grant DMR-1126845. NR 43 TC 3 Z9 3 U1 11 U2 66 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-8984 EI 1361-648X J9 J PHYS-CONDENS MAT JI J. Phys.-Condes. Matter PD APR 1 PY 2015 VL 27 IS 12 AR 126001 DI 10.1088/0953-8984/27/12/126001 PG 13 WC Physics, Condensed Matter SC Physics GA CD7TG UT WOS:000351294700019 PM 25751299 ER PT J AU Aoun, B Yu, C Fan, LL Chen, ZH Amine, K Ren, Y AF Aoun, Bachir Yu, Cun Fan, Longlong Chen, Zonghai Amine, Khalil Ren, Yang TI A generalized method for high throughput in-situ experiment data analysis: An example of battery materials exploration SO JOURNAL OF POWER SOURCES LA English DT Article DE Lithium ion batteries; Cathode materials; Batteries materials; In-situ analysis method ID X-RAY-DIFFRACTION; THERMAL-STABILITY; LITHIUM BATTERIES; LONG-LIFE; SPECTROSCOPY; DECOMPOSITION; MECHANISM AB A generalized method is introduced to extract critical information from series of ranked correlated data. The method is generally applicable to all types of spectra evolving as a function of any arbitrary parameter. This approach is based on correlation functions and statistical scedasticity formalism. Numerous challenges in analyzing high throughput experimental data can be tackled using the herein proposed method. We applied this method to understand the reactivity pathway and formation mechanism of a Li-ion battery cathode material during high temperature synthesis using in-situ high-energy X-ray diffraction. We demonstrate that Pearson's correlation function can easily unravel all major phase transition and, more importantly, the minor structural changes which cannot be revealed by conventionally inspecting the series of diffraction patterns. Furthermore, a two-dimensional (2D) reactivity pattern calculated as the scedasticity along all measured reciprocal space of all successive diffraction pattern pairs unveils clearly the structural evolution path and the active areas of interest during the synthesis. The methods described here can be readily used for on-the-fly data analysis during various in-situ operando experiments in order to quickly evaluate and optimize experimental conditions, as well as for post data analysis and large data mining where considerable amount of data hinders the feasibility of the investigation through point-by-point inspection. (C) 2015 Elsevier B.V. All rights reserved. C1 [Aoun, Bachir; Ren, Yang] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Chen, Zonghai; Amine, Khalil] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Yu, Cun] China Univ Petr, Dept Mat Sci & Engn, Beijing 102249, Peoples R China. [Fan, Longlong] Univ Sci & Technol Beijing, Dept Phys Chem, Beijing 100083, Peoples R China. RP Aoun, B (reprint author), Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. EM baoun@aps.anl.gov RI Chen, Zonghai/F-1067-2015 OI Chen, Zonghai/0000-0001-5371-9463 FU U.S. Department of Energy, Vehicle Technologies Office; U.S. Department of Energy [DE-AC02-06CH11357]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences FX Research at Argonne National Laboratory was funded by U.S. Department of Energy, Vehicle Technologies Office. Argonne National Laboratory is operated for the U.S. Department of Energy by UChicago Argonne, LLC, under contract DE-AC02-06CH11357. The authors also acknowledge the use of the Advanced Photon Source of Argonne National Laboratory supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. NR 24 TC 2 Z9 2 U1 9 U2 39 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 EI 1873-2755 J9 J POWER SOURCES JI J. Power Sources PD APR 1 PY 2015 VL 279 BP 246 EP 251 DI 10.1016/j.jpowsour.2015.01.033 PG 6 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA CD2OT UT WOS:000350919600028 ER PT J AU Leblanc, D Wang, CM He, Y Belanger, D Zaghib, K AF Leblanc, Dominic Wang, Chongmin He, Yang Belanger, Daniel Zaghib, Karim TI In situ transmission electron microscopy observations of lithiation of spherical silicon nanopowder produced by induced plasma atomization SO JOURNAL OF POWER SOURCES LA English DT Article DE Silicon nanopowder; Anode; Li-ion battery; In situ TEM; Plasma atomisation ID LITHIUM-ION BATTERIES; NANOSTRUCTURED SILICON; HIGH-CAPACITY; LIQUID CELL; ANODES; FRACTURE AB Composite Li-ion anode can be fabricated using silicon nanopowders synthesized by induced plasma atomization. Properties of such nanopowder were characterized by physical and electrochemical methods. Primary particles were crystalline with spherical shape and the typical diameter ranging from 50 to 200 nm. The Si nanopowder showed a high gravimetric capacity (4900 mAh/g) at first discharge and around 12% irreversible loss of lithium. In addition, observations of a single silicon particle made by in situ TEM permitted to compare the volume change during lithiation with other silicon anode nanomaterials. (C) 2015 Elsevier B.V. All rights reserved. C1 [Leblanc, Dominic; Zaghib, Karim] Hydroquebec Res Ctr IREQ, Varennes, PQ J3X 1S1, Canada. [Wang, Chongmin] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. [He, Yang] Univ Pittsburgh, Dept Mech Engn & Mat Sci, Pittsburgh, PA 15261 USA. [Leblanc, Dominic; Belanger, Daniel] Univ Quebec, Montreal, PQ H3C 3P8, Canada. RP Zaghib, K (reprint author), Hydroquebec Res Ctr IREQ, 1800 Boul Lionel Boulet, Varennes, PQ J3X 1S1, Canada. EM zaghib.karim@ireq.ca FU Laboratory Directed Research and Development Program as part of the Chemical Imaging Initiative at Pacific Northwest National Laboratory (PNNL); DOE's Office of Biological and Environmental Research at PNNL; Battelle for the Department of Energy [DE-AC05-76RLO1830]; DOE- BATT program (Lawrence Berkeley National Laboratory); Hydro-Quebec FX A special thanks to Maher Boulos and Richard Dolbec at Tekna Plasma Systems inc. for actively working with us to develop of the spherical silicon nanopowder. Also, thanks to the team of the IREQ-SCE department: Pierre Hovington, Julie Trottier, Francis Barray, Daniel Clement and Catherine Gagnon for helping with manipulations and material characterizations. The in situ high-resolution transmission electron microscopy study described in this paper is supported by the Laboratory Directed Research and Development Program as part of the Chemical Imaging Initiative at Pacific Northwest National Laboratory (PNNL). The work was conducted in the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by DOE's Office of Biological and Environmental Research at PNNL. PNNL is operated by Battelle for the Department of Energy under Contract DE-AC05-76RLO1830. We would like also to acknowledge DOE- BATT program (Lawrence Berkeley National Laboratory) and Hydro-Quebec for financial support. NR 22 TC 3 Z9 3 U1 8 U2 57 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 EI 1873-2755 J9 J POWER SOURCES JI J. Power Sources PD APR 1 PY 2015 VL 279 BP 522 EP 527 DI 10.1016/j.jbowsour.2014.12.060 PG 6 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA CD2OT UT WOS:000350919600059 ER PT J AU Semelsberger, TA Brooks, KP AF Semelsberger, Troy A. Brooks, Kriston P. TI Chemical hydrogen storage material property guidelines for automotive applications SO JOURNAL OF POWER SOURCES LA English DT Article DE Chemical hydrogen storage; Fuel cells; Hydrogen; Material properties; Chemical hydrides AB Chemical hydrogen storage is the sought after hydrogen storage media for automotive applications because of the expected low pressure operation (<20 atm), moderate temperature operation (<200 degrees C), system gravimetric capacities (>0.05 kg H-2/kg(system)), and system volumetric capacities (>0.05 kg H-2/L-system). Currently, the primary shortcomings of chemical hydrogen storage are regeneration efficiency, fuel cost and fuel phase (i.e., solid or slurry phase). Understanding the required material properties to meet the DOE Technical Targets for Onboard Hydrogen Storage Systems is a critical knowledge gap in the hydrogen storage research community. This study presents a set of fluid-phase chemical hydrogen storage material property guidelines for automotive applications meeting the 2017 DOE technical targets. Viable material properties were determined using a boiler-plate automotive system design. The fluid-phase chemical hydrogen storage media considered. in this study were neat liquids, solutions, and non-settling homogeneous slurries. Material properties examined include kinetics, heats of reaction, fuel-cell impurities, gravimetric and volumetric hydrogen storage capacities, and regeneration efficiency. The material properties, although not exhaustive, are an essential first step in identifying viable chemical hydrogen storage material properties and most important, their implications on system mass, system volume and system performance. Published by Elsevier B.V. C1 [Semelsberger, Troy A.] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA. [Brooks, Kriston P.] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA. RP Semelsberger, TA (reprint author), Los Alamos Natl Lab, Mat Phys & Applicat Div, POB 1663, Los Alamos, NM 87545 USA. EM troy@lanl.gov OI Brooks, Kriston/0000-0002-5770-6640 FU United States Department of Energy, Office of Energy Efficiency and Renewable Energy, Fuel Cell Technologies Office [DE-PS36-08GO98006] FX This work was funded by the United States Department of Energy, Office of Energy Efficiency and Renewable Energy, Fuel Cell Technologies Office (DE-PS36-08GO98006). The authors gratefully acknowledge our DOE program managers Dr. Ned Stetson (Hydrogen Storage Team Lead) and Mr. Jessie Adams (DOE Goldon Field Office). The authors also acknowledge the Hydrogen Storage Engineering Center of Excellence Partners for productive discussions and their dedication to hydrogen storage. NR 23 TC 6 Z9 7 U1 2 U2 27 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 EI 1873-2755 J9 J POWER SOURCES JI J. Power Sources PD APR 1 PY 2015 VL 279 BP 593 EP 609 DI 10.1016/j.jpowsour.2015.01.040 PG 17 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA CD2OT UT WOS:000350919600068 ER PT J AU Lawder, MT Viswanathan, V Subramanian, VR AF Lawder, Matthew T. Viswanathan, Vilayanur Subramanian, Venkat R. TI Balancing autonomy and utilization of solar power and battery storage for demand based microgrids SO JOURNAL OF POWER SOURCES LA English DT Article DE Microgrid; Battery utilization; Optimal sizing; Autonomy; Solar integration; Single particle model ID LITHIUM-ION BATTERIES; EQUIVALENT-CIRCUIT MODELS; SINGLE-PARTICLE MODEL; ENERGY-STORAGE; PHOTOVOLTAIC SYSTEMS; CYCLE LIFE; CHARGE; SIMULATION; MANAGEMENT; OPTIMIZATION AB The growth of intermittent solar power has developed a need for energy storage systems in order to decouple generation and supply of energy. Microgrid (MG) systems comprising of solar arrays with battery energy storage studied in this paper desire high levels of autonomy, seeking to meet desired demand at all times. Large energy storage capacity is required for high levels of autonomy, but much of this expensive capacity goes unused for a majority of the year due to seasonal fluctuations of solar generation. In this paper, a model-based study of MGs comprised of solar generation and battery storage shows the relationship between system autonomy and battery utilization applied to multiple demand cases using a single particle battery model (SPM). The SPM allows for more accurate state-of-charge and utilization estimation of the battery than previous studies of renewably powered systems that have used empirical models. The increased accuracy of battery state estimation produces a better assessment of system performance. Battery utilization will depend on the amount of variation in solar insolation as well as the type of demand required by the MG. Consumers must balance autonomy and desired battery utilization of a system within the needs of their grid. (C) 2015 Elsevier B.V. All rights reserved. C1 [Lawder, Matthew T.] Washington Univ, Energy Environm & Chem Engn Dept, St Louis, MO 63130 USA. [Viswanathan, Vilayanur] Pacific NW Natl Lab, Richland, WA 99354 USA. [Subramanian, Venkat R.] Univ Washington, Dept Chem Engn, Seattle, WA 98195 USA. RP Subramanian, VR (reprint author), Univ Washington, Dept Chem Engn, Box 351750, Seattle, WA 98195 USA. EM mtlawder@wustl.edu; Vilayanur.viswanathan@pnnl.gov; vsubram@uw.edu FU Solar Energy Research Institute for India - U.S. Department of Energy (Office of International Affairs) [DE AC36-08G028308]; U.S. (SERIIUS) - U.S. Department of Energy (Office of International Affairs) [DE AC36-08G028308]; Government of India [IUSSTF/JCERDC-SERIIUS/2012] FX This research is based upon work supported by the Solar Energy Research Institute for India and the U.S. (SERIIUS) funded jointly by the U.S. Department of Energy subcontract DE AC36-08G028308 (Office of Science, Office of Basic Energy Sciences, and Energy Efficiency and Renewable Energy, Solar Energy Technology Program, with support from the Office of International Affairs) and the Government of India subcontract IUSSTF/JCERDC-SERIIUS/2012 dated 22nd Nov. 2012. NR 58 TC 4 Z9 4 U1 4 U2 21 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 EI 1873-2755 J9 J POWER SOURCES JI J. Power Sources PD APR 1 PY 2015 VL 279 BP 645 EP 655 DI 10.1016/j.jpowsour.2015.01.015 PG 11 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA CD2OT UT WOS:000350919600073 ER PT J AU Liu, HJ Chen, ZF Dai, S Jiang, DE AF Liu, Hongjun Chen, Zhongfang Dai, Sheng Jiang, De-en TI Selectivity trend of gas separation through nanoporous graphene SO JOURNAL OF SOLID STATE CHEMISTRY LA English DT Article DE Gas separation; Carbon reduction; Porous graphene membrane; 2D Materials; Molecular dynamics; Free energy calculation ID POROUS GRAPHENE; MOLECULAR-DYNAMICS; HYDROGEN SEPARATION; CO2/N-2 SEPARATION; ISOTOPE-SEPARATION; OXIDE MEMBRANES; TRANSPORT; ULTRATHIN; NITROGEN; MODEL AB By means of molecular dynamics (MD) simulations, we demonstrate that porous graphene can efficiently separate gases according to their molecular sizes. The flux sequence from the classical MD simulation is H-2 > CO2 >> N-2 > Ar > CH4, which generally follows the trend in the kinetic diameters. This trend is also confirmed from the fluxes based on the computed free energy barriers for gas permeation using the umbrella sampling method and kinetic theory of gases. Both brute-force MD simulations and free-energy calcualtions lead to the flux trend consistent with experiments. Case studies of two compositions of CO2/N-2 mixtures further demonstrate the separation capability of nanoporous graphene. (C) 2014 Elsevier Inc. All rights reserved. C1 [Liu, Hongjun; Dai, Sheng; Jiang, De-en] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Chen, Zhongfang] Univ Puerto Rico, Inst Funct Nanomat, Dept Chem, San Juan, PR 00931 USA. [Dai, Sheng] Univ Tennessee, Dept Chem, Knoxville, TN 37966 USA. RP Jiang, DE (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM jiangd@ornl.gov RI Chen, Zhongfang/A-3397-2008; Dai, Sheng/K-8411-2015; Liu, Hongjun /A-2100-2012; Jiang, De-en/D-9529-2011 OI Dai, Sheng/0000-0002-8046-3931; Liu, Hongjun /0000-0003-3326-2640; Jiang, De-en/0000-0001-5167-0731 FU Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy; Department of Defense [W911NF-12-1-0083]; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy. ZC was supported by Department of Defense (Grant W911NF-12-1-0083). This research used resources of the National Energy Research Scientific Computing Center (NERSC), which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 36 TC 17 Z9 17 U1 15 U2 133 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0022-4596 EI 1095-726X J9 J SOLID STATE CHEM JI J. Solid State Chem. PD APR PY 2015 VL 224 SI SI BP 2 EP 6 DI 10.1016/j.jssc.2014.01.030 PG 5 WC Chemistry, Inorganic & Nuclear; Chemistry, Physical SC Chemistry GA CD2WC UT WOS:000350938700002 ER PT J AU Deaner, BJ Allen, MS Starr, MJ Segalman, DJ Sumali, H AF Deaner, Brandon J. Allen, Matthew S. Starr, Michael J. Segalman, Daniel J. Sumali, Hartono TI Application of Viscous and Iwan Modal Damping Models to Experimental Measurements From Bolted Structures SO JOURNAL OF VIBRATION AND ACOUSTICS-TRANSACTIONS OF THE ASME LA English DT Article ID VIBRATION; TRANSFORM; DYNAMICS; JOINTS AB Measurements are presented from a two-beam structure with several bolted interfaces in order to characterize the nonlinear damping introduced by the joints. The measurements (all at force levels below macroslip) reveal that each underlying mode of the structure is well approximated by a single degree-of-freedom (SDOF) system with a nonlinear mechanical joint. At low enough force levels, the measurements show dissipation that scales as the second power of the applied force, agreeing with theory for a linear viscously damped system. This is attributed to linear viscous behavior of the material and/or damping provided by the support structure. At larger force levels, the damping is observed to behave nonlinearly, suggesting that damping from the mechanical joints is dominant. A model is presented that captures these effects, consisting of a spring and viscous damping element in parallel with a four-parameter Iwan model. The parameters of this model are identified for each mode of the structure and comparisons suggest that the model captures the stiffness and damping accurately over a range of forcing levels. C1 [Deaner, Brandon J.] Mercury Marine, Fond Du Lac, WI 54936 USA. [Allen, Matthew S.; Segalman, Daniel J.] Univ Wisconsin, Dept Engn Phys, Madison, WI 53706 USA. [Starr, Michael J.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Sumali, Hartono] Sandia Natl Labs, Sci Technol & Engn Integrat, Albuquerque, NM 87185 USA. RP Deaner, BJ (reprint author), Mercury Marine, W6250 Pioneer Rd,POB 1939, Fond Du Lac, WI 54936 USA. EM brandon.deaner@mercmarine.com; msallen@engr.wisc.edu; mjstarr@sandia.gov; segalman@wisc.edu; hsumali@sandia.gov FU United States Department of Energy [DE-AC04-94-AL85000] FX The experimental work for this paper was conducted at Sandia National Laboratories. Sandia is a multiprogram laboratory operated under Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under Contract No. DE-AC04-94-AL85000. The authors would especially like to thank Jill Blecke, Randall Mayes, Brandon Zwink, and Patrick Hunter for the help that they provided with the laboratory setup and testing. NR 28 TC 4 Z9 4 U1 1 U2 15 PU ASME PI NEW YORK PA TWO PARK AVE, NEW YORK, NY 10016-5990 USA SN 1048-9002 EI 1528-8927 J9 J VIB ACOUST JI J. Vib. Acoust.-Trans. ASME PD APR PY 2015 VL 137 IS 2 AR 021012 DI 10.1115/1.4029074 PG 12 WC Acoustics; Engineering, Mechanical; Mechanics SC Acoustics; Engineering; Mechanics GA CD3GP UT WOS:000350966700012 ER PT J AU Oyen, D Lane, T AF Oyen, Diane Lane, Terran TI Transfer learning for Bayesian discovery of multiple Bayesian networks SO KNOWLEDGE AND INFORMATION SYSTEMS LA English DT Article DE Machine learning; Bayesian networks; Transfer learning AB Bayesian network structure learning algorithms with limited data are being used in domains such as systems biology and neuroscience to gain insight into the underlying processes that produce observed data. Learning reliable networks from limited data is difficult; therefore, transfer learning can improve the robustness of learned networks by leveraging data from related tasks. Existing transfer learning algorithms for Bayesian network structure learning give a single maximum a posteriori estimate of network models. Yet, many other models may be equally likely, and so a more informative result is provided by Bayesian structure discovery. Bayesian structure discovery algorithms estimate posterior probabilities of structural features, such as edges. We present transfer learning for Bayesian structure discovery which allows us to explore the shared and unique structural features among related tasks. Efficient computation requires that our transfer learning objective factors into local calculations, which we prove is given by a broad class of transfer biases. Theoretically, we show the efficiency of our approach. Empirically, we show that compared to single-task learning, transfer learning is better able to positively identify true edges. We apply the method to whole-brain neuroimaging data. C1 [Oyen, Diane] Los Alamos Natl Lab, Space Data Syst Grp, Los Alamos, NM 87545 USA. [Lane, Terran] Google Inc, Cambridge, MA USA. RP Oyen, D (reprint author), Los Alamos Natl Lab, Space Data Syst Grp, Los Alamos, NM 87545 USA. EM doyen@cs.unm.edu OI Oyen, Diane/0000-0002-1353-3688 FU Office of Naval Research [N00014-000-0000] FX Thanks to Vincent P. Clark and the Mind Research Network for neuroimaging data. Also, thanks to Eric Eaton and Paul Ruvolo for useful discussions and feedback. Worked funded by the Office of Naval Research grant N00014-000-0000. NR 25 TC 2 Z9 2 U1 0 U2 10 PU SPRINGER LONDON LTD PI LONDON PA 236 GRAYS INN RD, 6TH FLOOR, LONDON WC1X 8HL, ENGLAND SN 0219-1377 EI 0219-3116 J9 KNOWL INF SYST JI Knowl. Inf. Syst. PD APR PY 2015 VL 43 IS 1 BP 1 EP 28 DI 10.1007/s10115-014-0775-6 PG 28 WC Computer Science, Artificial Intelligence; Computer Science, Information Systems SC Computer Science GA CE0TP UT WOS:000351519700001 ER PT J AU Ying, MJ Cheng, W Wang, XX Liao, B Zhang, X Mei, ZX Du, XL Heald, SM Blythe, HJ Fox, AM Gehring, GA AF Ying, Minju Cheng, Wei Wang, Xiaoxiao Liao, Bin Zhang, Xu Mei, Zengxia Du, Xiaolong Heald, Steve M. Blythe, Harry J. Fox, A. Mark Gehring, Gillian A. TI Surface-polarity-dependent ferromagnetism in arsenic-implanted ZnO films prepared by MBE SO MATERIALS LETTERS LA English DT Article DE Semiconductors; Thin films; RT Ferromagnetism; Ion implantation ID DOPED ZNO; SEMICONDUCTORS AB O-polar and Zn-polar ZnO films were prepared by rf-plasma assisted molecular beam epitaxy (MBE) on sapphire substrates. Arsenic ions have been implanted into high quality ZnO with a definite polarity. Substantial temperature-independent ferromagnetism has been observed for both films, with the O-polar film having approximately twice the magnetization as the Zn-polar film. The saturation magnetization is shown to be due to the defects introduced during implantation, rather than to local moments associated with the As ion. Rutherford Backscattering/Channeling and optical absorption measurements confirm that the implantation introduces more defect states in the O-polar films, while X-ray absorption near-edge structure measurements show that the environment of the arsenic ions was similar for both polarities. (C) 2014 Elsevier B.V. All rights reserved. C1 [Ying, Minju; Cheng, Wei; Wang, Xiaoxiao; Liao, Bin; Zhang, Xu] Beijing Normal Univ, Coll Nucl Sci & Technol, Key Lab Beam Technol & Mat Modificat, Minist Educ, Beijing 100875, Peoples R China. [Mei, Zengxia; Du, Xiaolong] Chinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China. [Heald, Steve M.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Blythe, Harry J.; Fox, A. Mark; Gehring, Gillian A.] Univ Sheffield, Dept Phys & Astron, Sheffield S3 7RH, S Yorkshire, England. RP Ying, MJ (reprint author), Beijing Normal Univ, Coll Nucl Sci & Technol, Key Lab Beam Technol & Mat Modificat, Minist Educ, Beijing 100875, Peoples R China. EM mjying@bnu.edu.cn; g.gehring@sheffield.ac.uk RI Du, Xiaolong/E-8201-2016; Fox, Mark/F-1096-2010; OI Du, Xiaolong/0000-0002-3957-8403; Fox, Mark/0000-0002-9025-2441; Cheng, Wei/0000-0001-5866-7236 FU National Natural Science Foundation of China [10604007, 10975020, 51171028]; U.S. DOE [DE-AC02-06CH11357] FX This work is financially supported by National Natural Science Foundation of China under Grant Nos. 10604007, 10975020, 51171028. Use of the Advanced Photon Source, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science by Argonne National Laboratory, was supported by the U.S. DOE under Contract No. DE-AC02-06CH11357. NR 14 TC 2 Z9 2 U1 3 U2 25 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-577X EI 1873-4979 J9 MATER LETT JI Mater. Lett. PD APR 1 PY 2015 VL 144 BP 12 EP 14 DI 10.1016/j.matlet.2014.12.017 PG 3 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA CD2UZ UT WOS:000350935800004 ER PT J AU O'Brien, K Suchowski, H Rho, J Salandrino, A Kante, B Yin, XB Zhang, X AF O'Brien, Kevin Suchowski, Haim Rho, Junsuk Salandrino, Alessandro Kante, Boubacar Yin, Xiaobo Zhang, Xiang TI Predicting nonlinear properties of metamaterials from the linear response SO NATURE MATERIALS LA English DT Article ID 2ND-HARMONIC GENERATION; HARMONIC-GENERATION; 3RD-HARMONIC GENERATION; PLASMONIC NANOANTENNAS; MILLERS RULE; LIGHT WAVES; SUSCEPTIBILITIES; SPECTROSCOPY; LIMIT; MODEL AB The discovery of optical second harmonic generation in 1961 started modern nonlinear optics(1-3). Soon after, R. C. Miller found empirically that the nonlinear susceptibility could be predicted from the linear susceptibilities. This important relation, known as Miller's Rule(4,5), allows a rapid determination of nonlinear susceptibilities from linear properties. In recent years, metamaterials, artificial materials that exhibit intriguing linear optical properties not found in natural materials(6), have shown novel nonlinear properties such as phase-mismatch-free nonlinear generation(7), new quasi-phase matching capabilities(8,9) and large nonlinear susceptibilities(8-10). However, the understanding of nonlinear metamaterials is still in its infancy, with no general conclusion on the relationship between linear and nonlinear properties. The key question is then whether one can determine the nonlinear behaviour of these artificial materials from their exotic linear behaviour. Here, we show that the nonlinear oscillator model does not apply in general to nonlinear metamaterials. We show, instead, that it is possible to predict the relative nonlinear susceptibility of large classes of metamaterials using a more comprehensive nonlinear scattering theory, which allows efficient design of metamaterials with strong nonlinearity for important applications such as coherent Raman sensing, entangled photon generation and frequency conversion. C1 [O'Brien, Kevin; Suchowski, Haim; Rho, Junsuk; Salandrino, Alessandro; Kante, Boubacar; Yin, Xiaobo; Zhang, Xiang] Univ Calif Berkeley, NSEC, NSF, Berkeley, CA 94720 USA. [Suchowski, Haim; Rho, Junsuk; Yin, Xiaobo; Zhang, Xiang] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Zhang, Xiang] Univ Calif Berkeley, Kavli Energy NanoSci Inst, Berkeley, CA 94720 USA. [Zhang, Xiang] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP O'Brien, K (reprint author), Univ Calif Berkeley, NSEC, NSF, 3112 Etcheverry Hall, Berkeley, CA 94720 USA. EM xiang@berkeley.edu RI Zhang, Xiang/F-6905-2011; Yin, Xiaobo/A-4142-2011 FU US Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division [DE-AC02-05CH11231]; Samsung Scholarship Foundation, Republic of Korea FX This work was supported by the US Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division under contract no. DE-AC02-05CH11231. J.R. acknowledges a fellowship from the Samsung Scholarship Foundation, Republic of Korea. NR 30 TC 49 Z9 49 U1 13 U2 91 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1476-1122 EI 1476-4660 J9 NAT MATER JI Nat. Mater. PD APR PY 2015 VL 14 IS 4 BP 379 EP 383 DI 10.1038/NMAT4214 PG 5 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Materials Science; Physics GA CE3VN UT WOS:000351757800010 PM 25664451 ER EF