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. [Badaud, F.; Gris, Ph.] Univ Clermont Ferrand, CNRS, IN2P3, LPC, Clermont Ferrand, France. [Sajot, G.; Stark, J.] Univ Joseph Fourier Grenoble 1, CNRS, IN2P3, Inst Natl Polytech Grenoble, Grenoble, France. [Cousinou, M. -C.; Duperrin, A.; Geng, W.; Kajfasz, E.; Kermiche, S.; Nagy, E.; Osman, N.] Aix Marseille Univ, CPPM, Marseille, France. [Grivaz, J. -F.; Guillemin, T.; Jaffre, M.; Petroff, P.] Univ Paris 11, CNRS, IN2P3, LAL, Orsay, France. [Bernardi, G.; Brown, D.; Enari, Y.; Lellouch, J.; Li, D.; Zivkovic, L.] Univ Paris 06, LPNHE, Paris, France. [Bernardi, G.; Brown, D.; Enari, Y.; Lellouch, J.; Li, D.; Zivkovic, L.] Univ Paris 07, CNRS, IN2P3, Paris, France. [Bassler, U.; Besanon, M.; Chapon, E.; Couderc, F.; Deliot, F.; Faure, A.; Grohsjean, A.; Hubacek, Z.; Royon, C.; Shary, V.; Titov, M.; Tuchming, B.; Vilanova, D.] CEA, Irfu, SPP, Saclay, France. [Greder, S.; Miconi, F.; Ripp-Baudot, I.] Univ Strasbourg, CNRS, IN2P3, IPHC, Strasbourg, France. [Grenier, G.; Kurca, T.; Lebrun, P.] Univ Lyon 1, France & Univ Lyon, CNRS, IN2P3,IPNL, F-69365 Lyon, France. [Hebbeker, T.; Meyer, A.; Sonnenschein, L.] Rhein Westfal TH Aachen, III Physikal Inst A, Aachen, Germany. [Bernhard, R.; Madar, R.] Univ Freiburg, Inst Phys, D-79106 Freiburg, Germany. [Brandt, O.; Mansour, J.; Meyer, J.; Quadt, A.; Shabalina, E.] Univ Gottingen, II Phys Inst, Gottingen, Germany. [Buescher, V.; Fiedler, F.; Hohlfeld, M.; Weichert, J.] Johannes Gutenberg Univ Mainz, Inst Phys, D-55122 Mainz, Germany. [Nunnemann, T.; Sanders, M. P.] Univ Munich, Munich, Germany. [Beri, S. B.; Bhatnagar, V.; Dutt, S.; Kaur, M.; Kohli, J. M.] Panjab Univ, Chandigarh 160014, India. [Choudhary, B.; Dubey, A.] Univ Delhi, Delhi 110007, India. [Acharya, B. S.; Banerjee, S.; Mondal, N. K.] Inst Fundamental Res, Mumbai, Maharashtra, India. [Gruenewald, M. W.] Univ Coll Dublin, Dublin 2, Ireland. [Cho, S. W.; Choi, S.; Jeong, M. S.; Lee, H. S.; Lim, J. K.; Park, S. K.] Korea Univ, Korea Detector Lab, Seoul, South Korea. [Camacho-Perez, E.; Castilla-Valdez, H.; De la Cruz-Burelo, E.; Garcia-Gonzalez, J. A.; la Cruz, I. Heredia-De; Luna-Garcia, R.; Magana-Villalba, R.; Martinez-Ortega, J.; Sanchez-Hernandez, A.] CINVESTAV, Mexico City 14000, DF, Mexico. [de Jong, S. J.; Filthaut, F.; Meijer, M. M.; van Leeuwen, W. M.] Nikhef, Amsterdam, Netherlands. [de Jong, S. J.; Filthaut, F.; Meijer, M. M.] Radboud Univ Nijmegen, Nijmegen, Netherlands. [Abazov, V. M.; Alexeev, G. D.; Golovanov, G.; Kharzheev, Y. N.; Malyshev, V. L.; Tokmenin, V. V.; Verkheev, A. Y.; Vertogradov, L. S.; Yatsunenko, Y. A.] Joint Nucl Res Inst, Theoret Phys Lab, Dubna 141980, Russia. [Gavrilov, V.; Kiselevich, I.] Inst Theoret & Expt Phys, Moscow 117259, Russia. [Boos, E. E.; Bunichev, V.; Dudko, L. V.; Karmanov, D.; Kuzmin, V. A.; Merkin, M.; Perfilov, M.] Moscow MV Lomonosov State Univ, Moscow, Russia. [Denisov, S. P.; Evdokimov, V. N.; Kozelov, A. V.; Lipaev, V. V.; Popov, A. V.; Prokopenko, N.; Razumov, I.; Shchukin, A. A.; Stoyanova, D. A.; Vasilyev, I. A.] Inst High Energy Phys, Protvino, Russia. [Alkhazov, G.; Lobodenko, A.; Neustroev, P.; Scheglov, Y.; Uvarov, L.; Uvarov, S.] Petersburg Nucl Phys Inst, St Petersburg, Russia. [Juste, A.] ICREA, Barcelona, Spain. [Juste, A.] IFAE, Barcelona, Spain. [Buszello, C. P.] Uppsala Univ, Uppsala, Sweden. [Borysova, M.; Gogota, O.; Savitskyi, M.] Taras Shevchenko Natl Univ Kyiv, Kiev, Ukraine. [Bertram, I.; Borissov, G.; Burdin, S.; Fox, H.; Ratoff, P. N.; Ross, A.] Univ Lancaster, Lancaster LA1 4YB, England. [Beuselinck, R.; Davies, G.; Hays, J.; Jesik, R.; Jonsson, P.; Scanlon, T.] Univ London Imperial Coll Sci Technol & Med, London SW7 2AZ, England. [Agnew, J. P.; Deterre, C.; Ding, P. F.; Harder, K.; Head, T.; Hesketh, G.; Li, X.; McGivern, C. L.; Peters, Y.; Petridis, K.; Price, D.; Qin, Y.; Schwanenberger, C.; Shaw, S.; Soeldner-Rembold, S.; Suter, L.; Vesterinen, M.; Wyatt, T. R.; Zhao, T. G.] Univ Manchester, Manchester M13 9PL, Lancs, England. [Johns, K.; Lei, X.; Nayyar, R.; Varnes, E. W.] Univ Arizona, Tucson, AZ 85721 USA. [Ellison, J.; Heinson, A. P.; Joshi, J.; Li, L.] Univ Calif Riverside, Riverside, CA 92521 USA. [Adams, T.; Askew, A.; Blessing, S.; Hoang, T.; Wahl, H. D.] Florida State Univ, Tallahassee, FL 32306 USA. [Bagby, L.; Baldin, B.; Bartlett, J. F.; Bellantoni, L.; Bhat, P. C.; Boehnlein, A.; Bross, A.; Bu, X. B.; Buehler, M.; Casey, B. C. K.; Cihangir, S.; Cooke, M.; Cooper, W. E.; Denisov, D.; Desai, S.; Diehl, H. T.; Diesburg, M.; Elvira, V. D.; Fisk, H. E.; Fuess, S.; Garbincius, P. H.; Ginther, G.; Greenlee, H.; Grueendahl, S.; Gutierrez, G.; Herner, K.; Illingworth, R.; Ito, A. S.; Jabeen, S.; Johnson, M.; Jonckheere, A.; Jung, A. W.; Khalatyan, N.; Lee, W. M.; Li, Q. Z.; Lincoln, D.; Lipton, R.; De Sa, R. Lopes; Lyon, A. L.; Melnitchouk, A.; Penning, B.; Podstavkov, V. M.; Rominsky, M.; Rubinov, P.; Savage, G.; Verzocchi, M.; Wang, M. H. L. S.; Xie, Y.; Yamada, R.; Yasuda, T.; Ye, Z.; Yin, H.; Youn, S. W.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Adams, M.; Bazterra, V.; Gerber, C. E.; Varelas, N.] Univ Illinois, Chicago, IL 60607 USA. [Blazey, G.; Eads, M.; Feng, L.; Fortner, M.; Hedin, D.; Menezes, D.; Uzunyan, S.] No Illinois Univ, De Kalb, IL 60115 USA. [Schellman, H.; Welty-Rieger, L.] Northwestern Univ, Evanston, IL 60208 USA. [Evans, H.; Lammers, S.; Parua, N.; Van Kooten, R.; Williams, M. R. J.; Zieminska, D.] Indiana Univ, Bloomington, IN 47405 USA. [Parashar, N.] Purdue Univ Calumet, Hammond, IN 46323 USA. [Chan, K. M.; Hildreth, M. D.; Osta, J.; Ruchti, R.; Smirnov, D.; Warchol, J.; Wayne, M.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Hauptman, J. M.; Lee, S. W.] Iowa State Univ, Ames, IA 50011 USA. [Baringer, P.; Bean, A.; Chen, G.; Clutter, J.; Sekaric, J.; Wilson, G. W.] Univ Kansas, Lawrence, KS 66045 USA. [Atkins, S.; Sawyer, L.; Wobisch, M.] Louisiana Tech Univ, Ruston, LA 71272 USA. [Barberis, E.; Wood, D. R.] Northeastern Univ, Boston, MA 02115 USA. [Alton, A.; Neal, H. A.; Qian, J.; Yu, J. M.; Zhou, B.; Zhu, J.] Univ Michigan, Ann Arbor, MI 48109 USA. [Brock, R.; Caughron, S.; Edmunds, D.; Fisher, W.; Geng, W.; Johnson, E.; Linnemann, J.; Schwienhorst, R.] Michigan State Univ, E Lansing, MI 48824 USA. [Bhatia, S.; Holzbauer, J. L.; Kraus, J.; Quinn, B.] Univ Mississippi, University, MS 38677 USA. [Bloom, K.; Claes, D.; DeVaughan, K.; Dominguez, A.; Katsanos, I.; Malik, S.; Snow, G. R.] Univ Nebraska, Lincoln, NE 68588 USA. [Gershtein, Y.] Rutgers State Univ, Piscataway, NJ 08855 USA. [Tully, C.] Princeton Univ, Princeton, NJ 08544 USA. [Iashvili, I.; Kharchilava, A.; Kumar, A.; Zennamo, J.] SUNY Buffalo, Buffalo, NY 14260 USA. [Demina, R.; Ferbel, T.; Garcia-Bellido, A.; Ginther, G.; Harel, A.; Petrillo, G.; Slattery, P.; Tsai, Y. -T.; Zielinski, M.] Univ Rochester, Rochester, NY 14627 USA. [Boline, D.; Chakrabarti, S.; Grannis, P. D.; Hobbs, J. 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. PD APR PY 2015 VL 200 SI SI BP 282 EP 292 DI 10.1016/j.elspec.2015.07.004 PG 11 WC Spectroscopy SC Spectroscopy GA CT2BS UT WOS:000362607600026 ER PT J AU Garan, S Preecha, A Sun, SZ White, R Schwartz, A Barakat, R Efe, G He, PH Tan, S Peng, J Nowak, J Mehdizadeh, S Kadivar, A Brooks, G AF Garan, Steven Preecha, Andrew Sun, Shuzhang White, Randall Schwartz, Aaron Barakat, Rita Efe, Gizem He, Puhan Tan, Steven Peng, Justin Nowak, Joshua Mehdizadeh, Sadaf Kadivar, Armita Brooks, George TI A physiological model of the hunger response in humans 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 [Garan, Steven; Preecha, Andrew; Sun, Shuzhang; White, Randall; Schwartz, Aaron; Barakat, Rita; Efe, Gizem; He, Puhan; Tan, Steven; Peng, Justin; Nowak, Joshua; Mehdizadeh, Sadaf; Kadivar, Armita; Brooks, George] Univ Calif Berkeley, Ctr Res & Educ Aging, Berkeley, CA 94720 USA. [Garan, Steven; Brooks, George] Univ Calif Berkeley, Integrat Biol, Berkeley, CA 94720 USA. [Garan, Steven; Preecha, Andrew; White, Randall] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [White, Randall] Univ Calif Davis, Coll Engn, Davis, CA 95616 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 814.12 PG 2 WC Biochemistry & Molecular Biology; Biology; Cell Biology SC Biochemistry & Molecular Biology; Life Sciences & Biomedicine - Other Topics; Cell Biology GA CS0BT UT WOS:000361722703223 ER PT J AU Garan, S Farrell, M Nguyen, T Wan, J He, ZY Xu, Y Brooks, G AF Garan, Steven Farrell, Mark Teyden Nguyen Wan, Jeremy He, Ziyun Xu, Ying Brooks, George TI Using natural language parsing and artificial intelligence techniques to initiate a phase change to biological knowledge 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 [Garan, Steven; Farrell, Mark; Wan, Jeremy; He, Ziyun] Univ Calif Berkeley, Ctr Res & Educ Aging, Berkeley, CA 94720 USA. [Garan, Steven] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Farrell, Mark; Xu, Ying] Univ Waterloo, Fac Math, Waterloo, ON N2L 3G1, Canada. [Teyden Nguyen] Univ Waterloo, Fac Sci, Waterloo, ON N2L 3G1, Canada. [Brooks, George] Univ Calif Berkeley, Dept Integrat Biol, Berkeley, CA 94720 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 814.13 PG 2 WC Biochemistry & Molecular Biology; Biology; Cell Biology SC Biochemistry & Molecular Biology; Life Sciences & Biomedicine - Other Topics; Cell Biology GA CS0BT UT WOS:000361722703224 ER PT J AU Knihtila, R Holzapfel, G Weiss, K Meilleur, F Mattos, C AF Knihtila, Ryan Holzapfel, Genevieve Weiss, Kevin Meilleur, Flora Mattos, Carla TI Neutron Crystal Structure of Ras GTPase sets New Paradigm for GTP Hydrolysis 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 [Knihtila, Ryan; Mattos, Carla] Northeastern Univ, Chem & Chem Biol, Boston, MA 02115 USA. [Holzapfel, Genevieve; Meilleur, Flora; Mattos, Carla] N Carolina State Univ, Mol & Struct Biol, Raleigh, NC 27695 USA. [Weiss, Kevin; Meilleur, Flora] Oak Ridge Natl Lab, Neutron Sci Directorate, Biol & Soft Matter Div, Oak Ridge, TN USA. RI Weiss, Kevin/I-4669-2013 OI Weiss, Kevin/0000-0002-6486-8007 NR 0 TC 0 Z9 0 U1 1 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 893.7 PG 1 WC Biochemistry & Molecular Biology; Biology; Cell Biology SC Biochemistry & Molecular Biology; Life Sciences & Biomedicine - Other Topics; Cell Biology GA CS0BT UT WOS:000361722705153 ER PT J AU Kooijman, E Wang, WJ Singh, G Kuzmenko, I Vaknin, D Graber, Z AF Kooijman, Edgar Wang, Wenjie Singh, Gautam Kuzmenko, Ivan Vaknin, David Graber, Zachary TI Specificity and competitive cation association to Phosphatidylinositol-4,5-bisphosphate model membranes 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 [Graber, Zachary] Kent State Univ, Dept Chem, Kent, OH 44242 USA. [Wang, Wenjie; Vaknin, David] Ames Lab, Dept Phys, Ames, IA USA. [Singh, Gautam] Kent State Univ, Dept Phys, Kent, OH 44242 USA. [Kuzmenko, Ivan] APS Argonne Natl Lab, Argonne, IL USA. [Kooijman, Edgar] Kent State Univ, Dept Biol Sci, Kent, OH 44242 USA. RI Vaknin, David/B-3302-2009 OI Vaknin, David/0000-0002-0899-9248 NR 0 TC 0 Z9 0 U1 0 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 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. [Nix, Jay] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Biol Consortium, Beamline Adv Light Source 4 2 2, Berkeley, CA 94720 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 723.1 PG 1 WC Biochemistry & Molecular Biology; Biology; Cell Biology SC Biochemistry & Molecular Biology; Life Sciences & Biomedicine - Other Topics; Cell Biology GA CS0BT UT WOS:000361722701294 ER PT J AU Sarachan, K Cantara, W Spears, J DeMirci, H Murphy, F Ranganathan, S Chen, A Agris, P AF Sarachan, Kathryn Cantara, William Spears, Jessica DeMirci, Hasan Murphy, Frank Ranganathan, Srivathsan Chen, Alan Agris, Paul TI Modifications Modulate Anticodon Loop Dynamics and Codon Recognition in E. coli tRNA(Arg1,2) 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 [Sarachan, Kathryn; Cantara, William; Spears, Jessica; Ranganathan, Srivathsan; Chen, Alan; Agris, Paul] SUNY Albany, RNA Inst, Albany, NY 12222 USA. [DeMirci, Hasan] SLAC Natl Accelerator Lab, Stanford PULSE Inst, Menlo Pk, CA USA. [Murphy, Frank] Cornell Univ, Argonne Natl Lab, NE CAT, Argonne, IL 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 711.21 PG 1 WC Biochemistry & Molecular Biology; Biology; Cell Biology SC Biochemistry & Molecular Biology; Life Sciences & Biomedicine - Other Topics; Cell Biology GA CS0BT UT WOS:000361722701033 ER PT J AU Sinha, S Mei, Y Glover, K Su, MF Ramanathan, A Colbert, C AF Sinha, Sangita Mei, Yang Glover, Karen Su, Minfei Ramanathan, Arvind Colbert, Christopher TI Order-to-Disorder Transitions in BECN1 Regulate Autophagy 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 [Sinha, Sangita; Mei, Yang; Glover, Karen; Su, Minfei; Colbert, Christopher] N Dakota State Univ, Dept Chem & Biochem, Fargo, ND 58105 USA. [Ramanathan, Arvind] Oak Ridge Natl Lab, Computat Sci & Engn Div, Hlth Data Sci Inst, Oak Ridge, TN 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 712.16 PG 1 WC Biochemistry & Molecular Biology; Biology; Cell Biology SC Biochemistry & Molecular Biology; Life Sciences & Biomedicine - Other Topics; Cell Biology GA CS0BT UT WOS:000361722701057 ER PT J AU Zhang, HQ McGlone, C George, K Makaroff, K Cottingim, K Nix, J Schisler, J Page, R AF Zhang, Huaqun McGlone, Cameron George, Kathleen Makaroff, Katherine Cottingim, Kelsey Nix, Jay Schisler, Jonathan Page, Richard TI Modulation of Hsp70 Interactions with Co-chaperones via Phosphorylation 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 [Zhang, Huaqun; McGlone, Cameron; George, Kathleen; Makaroff, Katherine; Cottingim, Kelsey; Page, Richard] Miami Univ, Dept Chem & Biochem, Oxford, OH 45056 USA. [Nix, Jay] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Biol Consortium, Beamline Adv Light Source 4 2 2, Berkeley, CA 94720 USA. [Schisler, Jonathan] Univ N Carolina, Dept Med, Chapel Hill, NC 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 713.1 PG 1 WC Biochemistry & Molecular Biology; Biology; Cell Biology SC Biochemistry & Molecular Biology; Life Sciences & Biomedicine - Other Topics; Cell Biology GA CS0BT UT WOS:000361722701066 ER PT J AU Banco, M Mishra, V Kovalevsky, A Ronning, D AF Banco, Michael Mishra, Vidhi Kovalevsky, Andrey Ronning, Donald TI Neutron/X-ray Joint Refinement of The Active and Inactive Form of Helicobacter pylori 5'-Methylthioadenosine Nucleosidase SO FASEB JOURNAL LA English DT Meeting Abstract C1 [Banco, Michael; Mishra, Vidhi; Ronning, Donald] Univ Toledo, Dept Chem & Biochem, Toledo, OH 43606 USA. [Kovalevsky, Andrey] Oak Ridge Natl Lab, Biol & Soft Matter Div, Oak Ridge, TN 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 572.16 PG 1 WC Biochemistry & Molecular Biology; Biology; Cell Biology SC Biochemistry & Molecular Biology; Life Sciences & Biomedicine - Other Topics; Cell Biology GA CR6PV UT WOS:000361470504191 ER PT J AU Benning, C Hurlock, A Warakanont, J AF Benning, Christoph Hurlock, Anna Warakanont, Jaruswan TI Lipid Transport Involving Chloroplast Envelope Membranes in Plants and Algae SO FASEB JOURNAL LA English DT Meeting Abstract C1 [Benning, Christoph; Hurlock, Anna] Michigan State Univ, Biochem & Mol Biol, E Lansing, MI 48824 USA. [Warakanont, Jaruswan] Michigan State Univ, Plant Biol, E Lansing, MI 48824 USA. [Hurlock, Anna] Michigan State Univ, DOE Plant Res Lab, E Lansing, MI 48824 USA. NR 0 TC 0 Z9 0 U1 2 U2 3 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 366.1 PG 2 WC Biochemistry & Molecular Biology; Biology; Cell Biology SC Biochemistry & Molecular Biology; Life Sciences & Biomedicine - Other Topics; Cell Biology GA CR6PV UT WOS:000361470502416 ER PT J AU Davis, I Huo, L Liu, F Andi, B Esaki, S Iwaki, H Hasegawa, Y Orville, A Liu, AM AF Davis, Ian Huo, Lu Liu, Fange Andi, Babak Esaki, Shingo Iwaki, Hiroaki Hasegawa, Yoshie Orville, Allen Liu, Aimin TI Extending the Kynurenine Pathway to an Aldehyde Disarming Enzyme: Mechanistic Study of Bacterial AMSDH and Identification of the Correct Human Enzyme SO FASEB JOURNAL LA English DT Meeting Abstract C1 [Davis, Ian; Huo, Lu; Liu, Fange; Esaki, Shingo; Liu, Aimin] Georgia State Univ, Dept Chem, Atlanta, GA 30303 USA. [Andi, Babak; Orville, Allen] Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA. [Andi, Babak; Orville, Allen] Brookhaven Natl Lab, Biosci Dept, Upton, NY 11973 USA. [Iwaki, Hiroaki; Hasegawa, Yoshie] Kansai Univ, Dept Life Sci & Biotechnol, Suita, Osaka, Japan. [Iwaki, Hiroaki; Hasegawa, Yoshie] Kansai Univ, ORDIST, Suita, Osaka, Japan. RI Huo, Lu/O-7598-2016 NR 0 TC 0 Z9 0 U1 0 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 573.3 PG 1 WC Biochemistry & Molecular Biology; Biology; Cell Biology SC Biochemistry & Molecular Biology; Life Sciences & Biomedicine - Other Topics; Cell Biology GA CR6PV UT WOS:000361470504203 ER PT J AU Dye, J Gibbs-Flournoy, E Richards, J Hines, E Kraft, K Norwood, J Hatch, G AF Dye, Jan Gibbs-Flournoy, Eugene Richards, Judy Hines, Erin Kraft, Katherine Norwood, Joel Hatch, Gary TI Early Life Lung Antioxidant Levels and Response to Ozone: Influence of Sex and Maturation in Wistar Rats SO FASEB JOURNAL LA English DT Meeting Abstract C1 [Dye, Jan; Richards, Judy; Norwood, Joel; Hatch, Gary] US EPA, NHEERL, Res Triangle Pk, NC USA. [Gibbs-Flournoy, Eugene] EPA, ORISE, Res Triangle Pk, NC USA. [Hines, Erin] EPA, NCEA, Res Triangle Pk, NC USA. [Kraft, Katherine] Chevron Co, Houston, TX 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 411.3 PG 1 WC Biochemistry & Molecular Biology; Biology; Cell Biology SC Biochemistry & Molecular Biology; Life Sciences & Biomedicine - Other Topics; Cell Biology GA CR6PV UT WOS:000361470503099 ER PT J AU Eisenberg, D Sawaya, M Nelson, R Soragni, A Rodriguez, J Jiang, L Sangwan, S Johnson, L Laganowsky, A Liu, C Soriaga, A Landau, M Cascio, D Sievers, S Saelices-Gomez, L Guenther, E Hughes, M AF Eisenberg, David Sawaya, Michael Nelson, Rebecca Soragni, Alice Rodriguez, Jose Jiang, Lin Sangwan, Smriti Johnson, Lisa Laganowsky, Arthur Liu, Cong Soriaga, Angela Landau, Meytal Cascio, Duilio Sievers, Stuart Saelices-Gomez, Lorena Guenther, Elizabeth Hughes, Michael TI The Amyloid State of Proteins SO FASEB JOURNAL LA English DT Meeting Abstract C1 [Eisenberg, David; Sawaya, Michael; Nelson, Rebecca; Soragni, Alice; Rodriguez, Jose; Jiang, Lin; Sangwan, Smriti; Johnson, Lisa; Laganowsky, Arthur; Liu, Cong; Soriaga, Angela; Landau, Meytal; Cascio, Duilio; Sievers, Stuart; Saelices-Gomez, Lorena; Guenther, Elizabeth; Hughes, Michael] Univ Calif Los Angeles, UCLA DOE, Los Angeles, CA USA. [Eisenberg, David; Sawaya, Michael; Jiang, Lin] HHMI, Los Angeles, CA USA. [Eisenberg, David; Hughes, Michael] Univ Calif Los Angeles, Biol Chem, Los Angeles, CA USA. [Eisenberg, David] Univ Calif Los Angeles, Chem & Biochem, Los Angeles, CA USA. NR 0 TC 0 Z9 0 U1 4 U2 4 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 218.1 PG 2 WC Biochemistry & Molecular Biology; Biology; Cell Biology SC Biochemistry & Molecular Biology; Life Sciences & Biomedicine - Other Topics; Cell Biology GA CR6PV UT WOS:000361470502085 ER PT J AU Hilbert, B Hayes, J Stone, N Duffy, C Sankaran, B Kelch, B AF Hilbert, Brendan Hayes, Janelle Stone, Nicholas Duffy, Caroline Sankaran, Banumathi Kelch, Brian TI The Structure and Mechanism of the ATPase that Powers Viral Genome Packaging SO FASEB JOURNAL LA English DT Meeting Abstract C1 [Hilbert, Brendan; Hayes, Janelle; Stone, Nicholas; Duffy, Caroline; Kelch, Brian] Univ Massachusetts, Sch Med, Biochem & Mol Pharmacol, Worcester, MA USA. [Sankaran, Banumathi] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley Ctr Struct Biol, Berkeley, CA 94720 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 LB156 PG 1 WC Biochemistry & Molecular Biology; Biology; Cell Biology SC Biochemistry & Molecular Biology; Life Sciences & Biomedicine - Other Topics; Cell Biology GA CR6PV UT WOS:000361470500155 ER PT J AU Jaffe, E Arturo, E Ramirez, U Heroux, A Scary, T Loll, P AF Jaffe, Eileen Arturo, Emily Ramirez, Ursula Heroux, Annie Scary, Thomas Loll, Patrick TI The X-ray Crystal Structure of Full-length Mammalian Phenylalanine Hydroxylase SO FASEB JOURNAL LA English DT Meeting Abstract C1 [Jaffe, Eileen; Ramirez, Ursula; Scary, Thomas] Fox Chase Canc Ctr TUHS, Mol Therapeut, Philadelphia, PA USA. [Arturo, Emily; Loll, Patrick] Drexel Univ, Coll Med, Biochem & Mol Biol, Philadelphia, PA 19104 USA. [Heroux, Annie] Brookhaven Natl Lab, Mail In Serv, Upton, NY 11973 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 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. [Chiang, H. C.] Univ KwaZulu Natal, Sch Math Stat & Comp Sci, Astrophys & Cosmol Res Unit, ZA-4000 Durban, South Africa. [Kneissl, R.] ALMA Santiago Cent Off, Atacama Large Millimeter Submillimeter Array, Santiago, Chile. [Bond, J. R.; Martin, P. G.; Miville-Deschenes, M. -A] Univ Toronto, CITA, Toronto, ON M5S 3H8, Canada. [Alina, D.; Banday, A. J.; Bernard, J. -P.; Bielewicz, P.; Ferriere, K.; Forni, O.; Giard, M.; Jaffe, T. R.; Montier, L.; Pointecouteau, E.; Ristorcelli, I.] CNRS, IRAP, F-31028 Toulouse 4, France. [Dore, O.; Helou, G.; Hildebrandt, S. R.; Rocha, G.] CALTECH, Pasadena, CA 91125 USA. [Hernandez-Monteagudo, C.] CEFCA, Teruel 44001, Spain. [Borrill, J.; Keskitalo, R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Cosmol Ctr, Berkeley, CA 94720 USA. [Chamballu, A.] CEA Saclay, DSM Irfu SPP, F-91191 Gif Sur Yvette, France. [Hornstrup, A.; Linden-Vornle, M.; Oxborrow, C. A.] Tech Univ Denmark, Natl Space Inst, DTU Space, DK-2800 Lyngby, Denmark. [Kunz, M.; Tucci, M.] Univ Geneva, Dept Phys Theor, CH-1211 Geneva 4, Switzerland. [Atrio-Barandela, F.] Univ Salamanca, Fac Ciencias, Dept Fis Fundamental, E-37008 Salamanca, Spain. [Toffolatti, L.] Univ Oviedo, Dept Fis, E-33007 Oviedo, Spain. [Netterfield, C. B.] Univ Toronto, Dept Astron & Astrophys, Toronto, ON, Canada. [Rachen, J. P.] Radboud Univ Nijmegen, Dept Astrophys, IMAPP, NL-6500 GL Nijmegen, Netherlands. [Scott, D.] Univ British Columbia, Dept Phys & Astron, Vancouver, BC V5Z 1M9, Canada. [Colombo, L. P. E.] Univ So Calif, Dana & David Dornsife Coll Letter Arts & Sci, Dept Phys & Astron, Los Angeles, CA 90089 USA. [Benoit-Levy, A.] UCL, Dept Phys & Astron, London WC1E 6BT, England. [Huffenberger, K. M.] Florida State Univ, Dept Phys, Tallahassee, FL 32306 USA. [Juvela, M.; Keihanen, E.; Kurki-Suonio, H.; Suur-Uski, A. -S.; Valiviita, J.] Univ Helsinki, Dept Phys, Helsinki 00014, Finland. [Chiang, H. C.; Fraisse, A. A.; Jones, W. C.] Princeton Univ, Dept Phys, Princeton, NJ 08544 USA. [Lubin, P. M.; Zonca, A.] Univ Calif Santa Barbara, Dept Phys, Santa Barbara, CA 93106 USA. [Wandelt, B. D.] Univ Illinois, Dept Phys, Urbana, IL USA. [Liguori, M.; Matarrese, S.] Univ Padua, Dipartimento Fis & Astron G Galilei, I-35131 Padua, Italy. [Burigana, C.; Mandolesi, N.; Natoli, P.] Univ Ferrara, Dipartimento Fis & Sci Terra, I-44122 Ferrara, Italy. [de Bernardis, P.; Masi, S.; Melchiorri, A.; Nati, F.; Pagano, L.; Piacentini, F.] Univ Roma La Sapienza, Dipartimento Fis, I-00185 Rome, Italy. [Bersanelli, M.; Maino, D.; Mennella, A.; Tomasi, M.] Univ Milan, Dipartimento Fis, I-20133 Milan, Italy. [Gregorio, A.] Univ Trieste, Dipartimento Fis, I-34127 Trieste, Italy. [Mazzotta, P.] Univ Roma Tor Vergata, Dipartimento Fis, I-00133 Rome, Italy. [Christensen, P. R.; Naselsky, P.] Niels Bohr Inst, Discovery Ctr, DK-2100 Copenhagen, Denmark. [Kneissl, R.] European So Observ, ESO Vitacura, Santiago 19, Chile. [Dupac, X.; Leonardi, R.; Mendes, L.] European Space Agcy, ESAC, Planck Sci Off, Madrid 28691, Spain. [Tauber, J. A.] European Space Agcy, Estec, NL-2201 AZ Noordwijk, Netherlands. [Kurki-Suonio, H.; Suur-Uski, A. -S.; Valiviita, J.] Univ Helsinki, Helsinki Inst Phys, FIN-00014 Helsinki, Finland. [Umana, G.] INAF Osservatorio Astrofis Catania, I-95123 Catania, Italy. [de Zotti, G.] INAF Osservatorio Astron Padova, I-35122 Padua, Italy. [Polenta, G.] INAF Osservatorio Astron Roma, I-00040 Monte Porzio Catone, Italy. [Frailis, M.; Galeotta, S.; Gregorio, A.; Maris, M.; Pasian, F.] INAF Osservatorio Astron Trieste, I-34143 Trieste, Italy. [Burigana, C.; Cuttaia, F.; de Rosa, A.; Finelli, F.; Franceschi, E.; Gruppuso, A.; Mandolesi, N.; Morgante, G.; Natoli, P.; Paoletti, D.; Ricciardi, S.; Sandri, M.; Terenzi, L.; Valenziano, L.; Villa, F.] INAF IASF Bologna, I-40129 Bologna, Italy. [Bersanelli, M.; Donzelli, S.; Maino, D.; Mennella, A.; Tomasi, M.] INAF IASF Milano, I-20133 Milan, Italy. [Finelli, F.; Paoletti, D.] Ist Nazl Fis Nucl, Sez Bologna, I-40126 Bologna, Italy. [Melchiorri, A.; Pagano, L.] Ist Nazl Fis Nucl, Sez Roma 1, I-00185 Rome, Italy. [Gregorio, A.] Ist Nazl Fis Nucl, I-34127 Trieste, Italy. [Jaffe, A. H.; Mortlock, D.; Novikov, D.] Univ London Imperial Coll Sci Technol & Med, Astrophys Grp, Blackett Lab, London SW7 2AZ, England. [Pelkonen, V. -M.; Rusholme, B.] CALTECH, Infrared Proc & Anal Ctr, Pasadena, CA 91125 USA. [Aghanim, N.; Alves, M. I. R.; Aniano, G.; Arzoumanian, D.; Aumont, J.; Boulanger, F.; Bracco, A.; Chamballu, A.; Douspis, M.; Fanciullo, E.; Ghosh, T.; Guillet, V.; Kunz, M.; Lagache, G.; Miville-Deschenes, M. -A; Pajot, F.; Puget, J-L; Remazeilles, M.; Soler, J. D.] Univ Paris 11, CNRS, UMR 8617, Inst Astrophys Spatiale, F-91405 Orsay, France. [Benabed, K.; Benoit-Levy, A.; Bouchet, F. R.; Cardoso, J. -F.; Colombi, S.; Hivon, E.; Moneti, A.; Prunet, S.; Sygnet, J. -F.; Wandelt, B. D.] CNRS, UMR 7095, Inst Astrophys Paris, F-75014 Paris, France. [Popa, L.] Inst Space Sci, Bucharest 077125, Romania. [Efstathiou, G.; Harrison, D. L.; Migliaccio, M.; Sutton, D.] Univ Cambridge, Inst Astron, Cambridge CB3 0HA, England. [Eriksen, H. K.; Hansen, F. K.; Lilje, P. B.] Univ Oslo, Inst Theoret Astrophys, N-0315 Oslo, Norway. [Barreiro, R. B.; Curto, A.; Diego, J. M.; Gonzalez-Nuevo, J.; Lopez-Caniego, M.; Martinez-Gonzalez, E.; Toffolatti, L.; Vielva, P.] Univ Cantabria, CSIC, Inst Fis Cantabria, E-39005 Santander, Spain. [Colombo, L. P. E.; Crill, B. P.; Dore, O.; Gorski, K. M.; Holmes, W. A.; Lawrence, C. R.; Pietrobon, D.; Rocha, G.; Roudier, G.; Wade, E. A.] CALTECH, Jet Prop Lab, Pasadena, CA USA. [Davies, R. D.; Davis, R. J.; Dickinson, C.; Noviello, F.; Remazeilles, M.] Univ Manchester, Sch Phys & Astron, Jodrell Bank Ctr Astrophys, Manchester M13 9PL, Lancs, England. [Ashdown, M.; Harrison, D. L.; Lasenby, A.; Migliaccio, M.; Stolyarov, V.; Sutton, D.] Kavli Inst Cosmol Cambridge, Cambridge CB3 0HA, England. [Couchot, F.; Perdereau, O.; Plaszczynski, S.; Tristram, M.; Tucci, M.] Univ Paris 11, CNRS, IN2P3, LAL, F-91898 Orsay, France. [Arnaud, M.; Chamballu, A.; Marshall, D. J.; Pratt, G. W.] Univ Paris Diderot, CEA Saclay, Lab AIM, IRFU,Serv Astrophys,CEA,DSM,CNRS, Gif Sur Yvette, France. [Cardoso, J. -F.] CNRS, UMR 5141, Lab Traitement & Commun Informat, F-75634 Paris 13, France. [Cardoso, J. -F.] Telecom ParisTech, F-75634 Paris 13, France. [Catalano, A.; Combet, C.; Macias-Perez, J. F.; Perotto, L.; Renault, C.] Univ Grenoble 1, Lab Phys Subat & Cosmol, Inst Natl Polytech Grenoble, CNRS,IN2P3, F-38026 Grenoble, France. [Van Tent, B.] Univ Paris 11, Lab Phys Theor, F-91405 Orsay, France. [Van Tent, B.] CNRS, F-91405 Orsay, France. [Kisner, T. S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Ensslin, T. A.; Hernandez-Monteagudo, C.; Knoche, J.; Rachen, J. P.; Reinecke, M.; Riller, T.] Max Planck Inst Astrophys, D-85741 Garching, Germany. [Murphy, J. A.] Natl Univ Ireland, Dept Expt Phys, Maynooth, Kildare, Ireland. [Christensen, P. R.; Naselsky, P.; Novikov, I.] Niels Bohr Inst, DK-2100 Copenhagen, Denmark. [Crill, B. P.] CALTECH, Observat Cosmol, Pasadena, CA 91125 USA. [Baccigalupi, C.; Bielewicz, P.; Danese, L.; de Zotti, G.; Gonzalez-Nuevo, J.; Perrotta, F.] SISSA, Astrophys Sect, I-34136 Trieste, Italy. [Ade, P. A. R.; Munshi, D.; Spencer, L. D.; Sudiwala, R.] Cardiff Univ, Sch Phys & Astron, Cardiff CF24 3AA, S Glam, Wales. [Borrill, J.] Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. [Stolyarov, V.] Russian Acad Sci, Special Astrophys Observ, Karachai Cherkessian Rep 369167, Zelenchukskiy R, Russia. [Annitage-Caplan, C.] Univ Oxford, Subdept Astrophys, Oxford OX1 3RH, England. [Benabed, K.; Benoit-Levy, A.; Bouchet, F. R.; Colombi, S.; Hivon, E.; Prunet, S.; Wandelt, B. D.] Univ Paris 06, UMR 7095, F-75014 Paris, France. [Alina, D.; Banday, A. J.; Bernard, J. -P.; Bielewicz, P.; Ferriere, K.; Forni, O.; Giard, M.; Jaffe, T. R.; Montier, L.; Pointecouteau, E.; Ristorcelli, I.] Univ Toulouse, UPS OMP, IRAP, F-31028 Toulouse 4, France. [Battaner, E.] Univ Granada, Fac Ciencias, Dept Fis Teor & Cosmos, E-18071 Granada, Spain. [Battaner, E.] Univ Granada, Inst Carlos Fis Teor & Comp 1, E-18071 Granada, Spain. [Gorski, K. M.] Univ Warsaw Observ, PL-00478 Warsaw, Poland. [Catalano, A.; Coulais, A.; Falgarone, E.; Larnarre, J. -M.; Levrier, F.; Roudier, G.] Observ Paris, CNRS, LERMA, F-75014 Paris, France. RP Levrier, F (reprint author), Observ Paris, CNRS, LERMA, 61 Ave Observ, F-75014 Paris, France. 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. C1 [Cardoso, J. -F.; Delabrouille, J.; Ganga, K.; 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, Cape Town, South Africa. [Natoli, P.; Polenta, G.] Agenzia Spaziale Italiana, Sci Data Ctr, I-00133 Rome, Italy. [Mandolesi, N.] Agenzia Spaziale Italiana, I-00133 Rome, Italy. [Curto, A.; Hobson, M.; Lasenby, A.; Stolyarov, V.] Univ Cambridge, Cavendish Lab, Astrophys Grp, Cambridge CB3 0HE, England. [Chiang, H. C.] Univ KwaZulu Natal, Sch Math Stat & Comp Sci, Astrophys & Cosmol Res Unit, ZA-4000 Durban, South Africa. [Kneissl, R.] ALMA Santiago Cent Off, Atacama Large Millimeter Submillimeter Array, Santiago, Chile. [Bond, J. R.; Martin, P. G.; Miville-Deschenes, M. -A.; Oppermann, N.] Univ Toronto, CITA, Toronto, ON M55 3H8, Canada. [Salerno, E.] CNR ISTI, Area Ric, Pisa, Italy. [Banday, A. J.; Bernard, J. -P.; Bielewicz, P.; Forni, O.; Giard, M.; Jaffe, T. R.; Montier, L.; Pointecouteau, E.; Ristorcelli, I.] CNRS, IRAP, F-31028 Toulouse 4, France. [Bock, J. J.; Dore, O.; Helou, G.; Hildebrandt, S. R.; Rocha, G.] CALTECH, Pasadena, CA 91125 USA. [Hernandez-Monteagudo, C.] CEFCA, Teruel 44001, Spain. [Borrill, J.; Keskitalo, R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Cosmol Ctr, Berkeley, CA 94720 USA. [Chamballu, A.] CEA Saclay, DSM Irfu SPP, F-91191 Gif Sur Yvette, France. [Hornstrup, A.; Linden-Vornle, M.; Oxborrow, C. A.] Tech Univ Denmark, Natl Space Inst, DTU Space, DK-2800 Lyngby, Denmark. [Kunz, M.; Tucci, M.] Univ Geneva, Dept Phys Theor, CH-1211 Geneva 4, Switzerland. [Atrio-Barandela, F.] Univ Salamanca, Fac Ciencias, Dept Fis Fundamental, E-37008 Salamanca, Spain. [Toffolatti, L.] Univ Oviedo, Dept Fis, E-33007 Oviedo, Spain. [Netterfield, C. B.] Univ Toronto, Dept Astron & Astrophys, Toronto, ON, Canada. [Rachen, J. P.] Radboud Univ Nijmegen, Dept Astrophys IMAPP, NL-6500 GL Nijmegen, Netherlands. [Scott, D.] Univ British Columbia, Dept Phys & Astron, Vancouver, BC V5Z 1M9, Canada. [Colombo, L. P. L.] Univ So Calif, Dana & David Dornsife Coll Letter Arts & Sci, Dept Phys & Astron, Los Angeles, CA 90089 USA. [Benoit-Levy, A.] UCL, Dept Phys & Astron, London WC1E 6BT, England. [Keihanen, E.; Kurki-Suonio, H.; Suur-Uski, A. -S.; Valiviita, J.] Univ Helsinki, Dept Phys, Helsinki, Finland. [Chiang, H. C.; Fraisse, A. A.; Jones, W. C.] Princeton Univ, Dept Phys, Princeton, NJ 08544 USA. [Lubin, P. M.; Zonca, A.] Univ Calif Santa Barbara, Dept Phys, Santa Barbara, CA 93106 USA. [Wandelt, B. D.] Univ Illinois, Dept Phys, Urbana, IL USA. [Liguori, M.; Matarrese, S.] Univ Padua, Dipartimento Fis & Astron G Galilei, I-35131 Padua, Italy. [Burigana, C.; Mandolesi, N.; Natoli, P.] Univ Ferrara, Dipartimento Fis & Sci Terra, I-44122 Ferrara, Italy. [de Bernardis, P.; Masi, S.; Melchiorri, A.; Nati, F.; Pagano, L.; Piacentini, F.] Univ Roma La Sapienza, Dipartimento Fis, I-00185 Rome, Italy. [Bersanelli, M.; Maino, D.; Mennella, A.; Tomasi, M.] Univ Milan, Dipartimento Fis, Milan, Italy. [Gregorio, A.] Univ Trieste, Dipartimento Fis, Trieste, Italy. [Mazzotta, P.] Univ Roma Tor Vergata, Dipartimento Fis, I-00173 Rome, Italy. [Naselsky, P.] Niels Bohr Inst, Discovery Ctr, DK-2100 Copenhagen, Denmark. [Rubino-Martin, J. A.] Univ La Laguna, Dept Astrofis, Tenerife, Spain. [Kneissl, R.] European So Observ, ESO Vitacura, Santiago 19, Chile. [Dupac, X.; Leonardi, R.; Mendes, L.] European Space Agcy, ESAC, Planck Sci Off, Madrid, Spain. [Tauber, J. A.] European Space Agcy, Estec, NL-2201 AZ Noordwijk, Netherlands. [Kurki-Suonio, H.; Suur-Uski, A. -S.; Valiviita, J.] Univ Helsinki, Helsinki Inst Phys, Helsinki, Finland. [de Zotti, G.] INAF Osservatorio Astron Padova, Padua, Italy. [Polenta, G.] INAF Osservatorio Astron Roma, Monte Porzio Catone, Italy. [Frailis, M.; Galeotta, S.; Gregorio, A.; Maris, M.; Pasian, F.; Zacchei, A.] INAF Osservatorio Astron Trieste, Trieste, Italy. [Burigana, C.; Cuttaia, F.; Finelli, F.; Franceschi, E.; Gruppuso, A.; Mandolesi, N.; Morgante, G.; Natoli, P.; Paoletti, D.; Ricciardi, S.; Sandri, M.; Terenzi, L.; Valenziano, L.; Villa, F.] INAF IASF Bologna, Bologna, Italy. [Bersanelli, M.; Donzelli, S.; Maino, D.; Mennella, A.; Tomasi, M.] INAF IASF Milano, Milan, Italy. [Finelli, F.; Paoletti, D.] Ist Nazl Fis Nucl, Sez Bologna, I-40126 Bologna, Italy. [Melchiorri, A.; Pagano, L.] Univ Roma La Sapienza, INFN, Sez Roma 1, I-00185 Rome, Italy. [Gregorio, A.] Ist Nazl Fis Nucl, I-34127 Trieste, Italy. [Desert, F. -X.] Univ Grenoble 1, IPAG, CNRS, UMR 5274,INSU, F-38041 Grenoble, France. [Jaffe, A. H.; Mortlock, D.; Novikov, D.] Univ London Imperial Coll Sci Technol & Med, Astrophys Grp, Blackett Lab, London SW7 2AZ, England. [Rusholme, B.] CALTECH, Infrared Proc & Anal Ctr, Pasadena, CA 91125 USA. [Alves, M. I. R.; Aniano, G.; Aumont, J.; Boulanger, F.; Chamballu, A.; Douspis, M.; Ghosh, T.; Guillet, V.; Kunz, M.; Lagache, G.; Miville-Deschenes, M. -A.; Pajot, F.; Remazeilles, M.] Univ Paris 11, CNRS, UMR 8617, Inst Astrophys Spatiale, F-91405 Orsay, France. [Benabed, K.; Benoit-Levy, A.; Bouchet, F. R.; Cardoso, J. -F.; Hivon, E.; Moneti, A.; Sygnet, J. -F.; Wandelt, B. D.] CNRS, UMR 7095, Inst Astrophys Paris, F-75014 Paris, France. [Popa, L.] Inst Space Sci, Bucharest, Romania. [Harrison, D. L.; Migliaccio, M.; Sutton, D.] Univ Cambridge, Inst Astron, Cambridge CB3 0HA, England. [Eriksen, H. K.; Hansen, F. K.; Lilje, P. B.] Univ Oslo, Inst Theoret Astrophys, Oslo, Norway. [Rubino-Martin, J. A.] Inst Astrofis Canarias, Tenerife, Spain. [Magalhaes, A. M.] Univ Sao Paulo, Inst Astron Geofis & Ciencias Atmosfer, BR-05508090 Sao Paulo, SP, Brazil. [Barreiro, R. B.; Curto, A.; Diego, J. M.; Gonzalez-Nuevo, J.; Lopez-Caniego, M.; Martinez-Gonzalez, E.; Toffolatti, L.; Vielva, P.] Univ Cantabria, CSIC, Inst Fis Cantabria, E-39005 Santander, Spain. [Bock, J. J.; Colombo, L. P. L.; Crill, B. P.; Dore, O.; Gorski, K. M.; Holmes, W. A.; Lawrence, C. R.; Pietrobon, D.; Rocha, G.; Roudier, G.] CALTECH, Jet Prop Lab, Pasadena, CA USA. [Davies, R. D.; Davis, R. J.; Dickinson, C.; Leahy, J. P.; Maffei, B.; Noviello, F.; Remazeilles, M.] Univ Manchester, Sch Phys & Astron, Jodrell Bank Ctr Astrophys, Manchester M13 9PL, Lancs, England. [Harrison, D. L.; Lasenby, A.; Migliaccio, M.; Stolyarov, V.; Sutton, D.] Kavli Inst Cosmol Cambridge, Cambridge CB3 0HA, England. [Couchot, F.; Perdereau, O.; Plaszczynski, S.; Tristram, M.; Tucci, M.] Univ Paris 11, CNRS, IN2P3, LAL, Paris, France. [Catalano, A.; Coulais, A.; Falgarone, E.; Lamarre, J. -M.; Levrier, F.; Roudier, G.] Observ Paris, CNRS, LERMA, F-75014 Paris, France. [Arnaud, M.; Chamballu, A.; Marshall, D. J.; Pratt, G. W.] Univ Paris Diderot, CNRS, Lab AIM, IRFU,Serv Astrophys,CEA,DSM,CEA Saclay, F-91191 Gif Sur Yvette, France. [Cardoso, J. -F.] CNRS, UMR 5141, Lab Traitement & Commun Informat, F-75634 Paris 13, France. [Cardoso, J. -F.] Telecom ParisTech, F-75634 Paris 13, France. [Catalano, A.; Combet, C.; Macias-Perez, J. F.; Perotto, L.; Renault, C.] Univ Grenoble 1, Lab Phys Subat & Cosmol, Inst Natl Polytech Grenoble, CNRS,IN2P3, F-38026 Grenoble, France. [Van Tent, B.] Univ Paris 11, Lab Phys Theor, F-91405 Orsay, France. [Van Tent, B.] CNRS, F-91405 Orsay, France. [Kisner, T. S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Ensslin, T. A.; Hernandez-Monteagudo, C.; Knoche, J.; Rachen, J. P.; Reinecke, M.; Riller, T.] Max Planck Inst Astrophys, D-85748 Garching, Germany. [Ensslin, T. A.; Hernandez-Monteagudo, C.; Knoche, J.; Rachen, J. P.; Reinecke, M.; Riller, T.] Max Planck Inst Astrophys, D-85741 Garching, Germany. [Murphy, J. A.] Natl Univ Ireland, Dept Expt Phys, Maynooth, Kildare, Ireland. [Naselsky, P.; Novikov, I.] Niels Bohr Inst, DK-2100 Copenhagen, Denmark. [Crill, B. P.] CALTECH, Observat Cosmol, Pasadena, CA 91125 USA. [Savini, G.] UCL, Opt Sci Lab, London, England. [Baccigalupi, C.; Bielewicz, P.; Danese, L.; de Zotti, G.; Gonzalez-Nuevo, J.; Perrotta, F.] SISSA, Astrophys Sect, I-34136 Trieste, Italy. [Ade, P. A. R.; Munshi, D.; Spencer, L. D.; Sudiwala, R.] Cardiff Univ, Sch Phys & Astron, Cardiff CF24 3AA, S Glam, Wales. [Stolyarov, V.] Russian Acad Sci, Special Astrophys Observ, Karachai Cherkessian Rep 369167, Zelenchukskiy R, Russia. [Armitage-Caplan, C.; Dunkley, J.] Univ Oxford, Subdept Astrophys, Oxford OX1 3RH, England. [Benabed, K.; Benoit-Levy, A.; Bouchet, F. R.; Hivon, E.; Wandelt, B. D.] Univ Paris 06, UMR 7095, F-75014 Paris, France. [Banday, A. J.; Bernard, J. -P.; Bielewicz, P.; Forni, O.; Giard, M.; Jaffe, T. R.; Montier, L.; Pointecouteau, E.; Ristorcelli, I.] Univ Toulouse, UPS OMP, IRAP, F-31028 Toulouse 4, France. [Reach, W. T.] Univ Space Res Assoc, Stratospher Observ Infrared Astron, Moffett Field, CA 94035 USA. [Battaner, E.] Univ Granada, Dept Fis Teor & Cosmos, Fac Ciencias, Granada, Spain. [Battaner, E.] Univ Granada, Inst Carlos Fis Teor & Comp 1, Granada, Spain. [Gorski, K. M.] Univ Warsaw Observ, PL-00478 Warsaw, Poland. RP Ghosh, T (reprint author), Univ Paris 11, CNRS, UMR 8617, Inst Astrophys Spatiale, Batiment 121, F-91405 Orsay, France. 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. PD APR PY 2015 VL 576 AR A107 DI 10.1051/0004-6361/201424088 PG 25 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA CL9DC UT WOS:000357274600042 ER PT J AU Ade, PAR Aghanim, N Alina, D Aniano, G Armitage-Caplan, C Arnaud, M Ashdown, M Atrio-Barandela, F Aumont, J Baccigalupi, C Banday, AJ Barreiro, RB Battaner, E Beichman, C 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 Chary, RR Chiang, HC Christensen, PR Colombi, S Colombo, LPL 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 Desert, FX Dickinson, C Diego, JM Donzelli, S Dore, O Douspis, M Dunkley, J Dupac, X Efstathiou, G Ensslin, TA Eriksen, HK Falgarone, E Fanciullo, L Finelli, F Forni, O Frailis, M Fraisse, AA Franceschi, E Galeotta, S Gana, 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 Lahteenmaki, A Lamarre, JM Lasenby, A Lawrence, CR 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 Oxborrow, CA 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, 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 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 Zonca, A AF Ade, P. A. R. Aghanim, N. Alina, D. Aniano, G. Armitage-Caplan, C. Arnaud, M. Ashdown, M. Atrio-Barandela, F. Aumont, J. Baccigalupi, C. Banday, A. J. Barreiro, R. B. Battaner, E. Beichman, C. 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. 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, F. Danese, L. Davies, R. D. Davis, R. J. de Bernardis, P. 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. Fanciullo, L. 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. 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. [Lahteenmaki, A.] Aalto Univ, Dept Radio Sci & Engn, Aalto 00076, Finland. [Kunz, M.] African Inst Math Sci, Cape Town, South Africa. [Natoli, P.; Polenta, G.] Agenzia Spaziale Italiana, Sci Data Ctr, I-00133 Rome, Italy. [Mandolesi, N.] Agenzia Spaziale Italiana, I-00133 Rome, Italy. [Ashdown, M.; Curto, A.; Hobson, M.; Lasenby, A.; Stolyarov, V.] Univ Cambridge, Cavendish Lab, Astrophys Grp, Cambridge CB3 0HE, England. [Chiang, H. C.] Univ KwaZulu Natal, Sch Math Stat & Comp Sci, Astrophys & Cosmol Res Unit, ZA-4000 Durban, South Africa. [Kneissl, R.] ALMA Santiago Cent Off, Atacama Large Millimeter Submillimeter Array, Santiago, Chile. [Bond, J. R.; Martin, P. G.; Miville-Deschenes, M. -A.] Univ Toronto, CITA, Toronto, ON M55 3H8, Canada. [Alina, D.; Banday, A. J.; Bernard, J. -P.; Bielewicz, P.; Forni, O.; Giard, M.; Jaffe, T. R.; Montier, L.; Pointecouteau, E.; Ristorcelli, I.] CNRS, IRAP, F-31028 Toulouse 4, France. [Beichman, C.; Bock, J. J.; Dore, O.; Helou, G.; Hildebrandt, S. R.; Rocha, G.] CALTECH, Pasadena, CA 91125 USA. [Hernandez-Monteagudo, C.] CEFCA, Teruel 44001, Spain. [Borrill, J.; Keskitalo, R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Cosmol Ctr, Berkeley, CA 94720 USA. [Rebolo, R.] CSIC, Madrid, Spain. [Chamballu, A.] CEA Saclay, DSM, Irfu, SPP, F-91191 Gif Sur Yvette, France. [Hornstrup, A.; Linden-Vornle, M.; Oxborrow, C. A.] Tech Univ Denmark, Natl Space Inst, DTU Space, DK-2800 Lyngby, Denmark. [Kunz, M.; Tucci, M.] Univ Geneva, Dept Phys Theor, CH-1211 Geneva 4, Switzerland. [Atrio-Barandela, F.] Univ Salamanca, Fac Ciencias, Dept Fis Fundamental, E-37008 Salamanca, Spain. [Toffolatti, L.] Univ Oviedo, Dept Fis, E-33007 Oviedo, Spain. [Netterfield, C. B.] Univ Toronto, Dept Astron & Astrophys, Toronto, ON, Canada. [Rachen, J. P.] Radboud Univ Nijmegen, IMAPP, Dept Astrophys, NL-6500 GL Nijmegen, Netherlands. [Scott, D.] Univ British Columbia, Dept Phys & Astron, Vancouver, BC V5Z 1M9, Canada. [Colombo, L. P. L.] Univ So Calif, Dept Phys & Astron, Dana & David Dornsife Coll Letter Arts & Sci, Los Angeles, CA 90089 USA. [Benoit-Levy, A.; Poidevin, F.] UCL, Dept Phys & Astron, London WC1E 6BT, England. [Huffenberger, K. M.] Florida State Univ, Dept Phys, Tallahassee, FL 32306 USA. [Juvela, M.; Keihanen, E.; Kurki-Suonio, H.; Suur-Uski, A. -S.; Valiviita, J.] Univ Helsinki, Dept Phys, Helsinki, Finland. [Chiang, H. C.; Fraisse, A. A.; Jones, W. C.] Princeton Univ, Dept Phys, Princeton, NJ 08544 USA. [Lubin, P. M.; Zonca, A.] Univ Calif Santa Barbara, Dept Phys, Santa Barbara, CA 93106 USA. [Wandelt, B. D.] Univ Illinois, Dept Phys, Urbana, IL USA. [Liguori, M.; Matarrese, S.] Univ Padua, Dipartimento Fis Astron G Galilei, I-35131 Padua, Italy. [Burigana, C.; Mandolesi, N.; Natoli, P.] Univ Ferrara, Dipartimento Fis & Sci Terra, I-44122 Ferrara, Italy. [de Bernardis, P.; Masi, S.; Melchiorri, A.; Nati, F.; Pagano, L.; Piacentini, F.] Univ Roma La Sapienza, Dipartimento Fis, I-00185 Rome, Italy. [Bersanelli, M.; Maino, D.; Mennella, A.; Tomasi, M.] Univ Milan, Dipartimento Fis, Milan, Italy. [Gregorio, A.] Univ Trieste, Dipartimento Fis, Trieste, Italy. [Mazzotta, P.] Univ Roma Tor Vergata, Dipartimento Fis, I-00173 Rome, Italy. [Poidevin, F.; Rebolo, R.] Niels Bohr Inst, Discovery Ctr, DK-2100 Copenhagen, Denmark. [Poidevin, F.; Rebolo, R.] Univ La Laguna, Dept Astrofis, Tenerife, Spain. [Kneissl, R.] European So Observ, ESO Vitacura, Santiago 19, Chile. [Dupac, X.; Leonardi, R.; Mendes, L.] European Space Agcy, Planck Sci Off, ESAC, Madrid, Spain. [Tauber, J. A.] European Space Agcy, Estec, NL-2201 AZ Noordwijk, Netherlands. [Kurki-Suonio, H.; Lahteenmaki, A.; Suur-Uski, A. -S.; Valiviita, J.] Univ Helsinki, Helsinki Inst Phys, Helsinki, Finland. [Umana, G.] INAF Osservatorio Astrofis Catania, Catania, Italy. [de Zotti, G.] INAF Osservatorio Astron Padova, Padua, Italy. [Polenta, G.] INAF Osservatorio Astron Roma, Monte Porzio Catone, Italy. [Frailis, M.; Galeotta, S.; Gregorio, A.; Maris, M.; Pasian, F.] INAF Osservatorio Astron Trieste, Trieste, Italy. [Burigana, C.; Cuttaia, F.; de Rosa, A.; Finelli, F.; Franceschi, E.; Gruppuso, A.; Mandolesi, N.; Morgante, G.; Natoli, P.; Paoletti, D.; Ricciardi, S.; Sandri, M.; Terenzi, L.; Valenziano, L.; Villa, F.] INAF IASF Bologna, Bologna, Italy. [Bersanelli, M.; Donzelli, S.; Maino, D.; Mennella, A.; Tomasi, M.] INAF IASF Milano, Milan, Italy. [Finelli, F.; Paoletti, D.] Ist Nazl Fis Nucl, Sez Bologna, I-40126 Bologna, Italy. [Melchiorri, A.; Pagano, L.] Univ Roma La Sapienza, INFN, Sez Roma 1, I-00185 Rome, Italy. [Gregorio, A.] Ist Nazl Fis Nucl, I-34127 Trieste, Italy. [Desert, F. -X.] Univ Grenoble Alpes, IPAG, F-38000 Grenoble, France. [Desert, F. -X.] CNRS, IPAG, F-38000 Grenoble, France. [Jaffe, A. H.; Mortlock, D.; Novikov, D.] Univ London Imperial Coll Sci Technol & Med, Astrophys Grp, Blackett Lab, London SW7 2AZ, England. [Chary, R. -R.; Paladini, R.; Rusholme, B.] CALTECH, Infrared Proc & Anal Ctr, Pasadena, CA 91125 USA. [Aghanim, N.; Aniano, G.; Aumont, J.; Boulanger, F.; Chamballu, A.; Douspis, M.; Fanciullo, L.; Ghosh, T.; Guillet, V.; Kunz, M.; Lagache, G.; Miville-Deschenes, M. -A.; Pajot, F.; Puget, J. -L.; Remazeilles, M.] Univ Paris 11, CNRS, UMR 8617, Inst Astrophys Spatiale, F-91405 Orsay, France. [Benabed, K.; Benoit-Levy, A.; Bouchet, F. R.; Cardoso, J. -F.; Colombi, S.; Hivon, E.; Moneti, A.; Prunet, S.; Sygnet, J. -F.; Wandelt, B. D.] CNRS, UMR 7095, Inst Astrophys Paris, F-75014 Paris, France. [Popa, L.] Inst Space Sci, Bucharest, Romania. [Efstathiou, G.; Harrison, D. L.; Migliaccio, M.; Pratt, G. W.; Sutton, D.] Univ Cambridge, Inst Astron, Cambridge CB3 0HA, England. [Eriksen, H. K.; Hansen, F. K.; Lilje, P. B.] Univ Oslo, Inst Theoret Astrophys, Oslo, Norway. [Poidevin, F.; Rebolo, R.] Inst Astrofis Canarias, Tenerife, Spain. [Magalhaes, A. M.] Univ Sao Paulo, Inst Astron Geofis & Ciencias Atmosfer, Sao Paulo, Brazil. [Barreiro, R. B.; Curto, A.; Diego, J. M.; Gonzalez-Nuevo, J.; Lopez-Caniego, M.; Martinez-Gonzalez, E.; Toffolatti, L.; Vielva, P.] Univ Cantabria, CSIC, Inst Fis Cantabria, E-39005 Santander, Spain. [Bock, J. J.; Colombo, L. P. L.; Crill, B. P.; Dore, O.; Gorski, K. M.; Holmes, W. A.; Lawrence, C. R.; Pietrobon, D.; Rocha, G.; Roudier, G.; Wade, L. A.] CALTECH, Jet Prop Lab, Pasadena, CA USA. [Davies, R. D.; Davis, R. J.; Dickinson, C.; Maffei, B.; Noviello, F.; Remazeilles, M.] Univ Manchester, Sch Phys & Astron, Jodrell Bank Ctr Astrophys, Manchester M13 9PL, Lancs, England. [Ashdown, M.; Harrison, D. L.; Lasenby, A.; Migliaccio, M.; Stolyarov, V.; Sutton, D.] Kavli Inst Cosmol Cambridge, Cambridge CB3 0HA, England. [Couchot, F.; Perdereau, O.; Plaszczynski, S.; Tristram, M.; Tucci, M.] Univ Paris 11, CNRS, IN2P3, LAL, F-91405 Orsay, France. [Catalano, A.; Coulais, A.; Falgarone, E.; Lamarre, J. -M.; Levrier, F.; Roudier, G.] Observ Paris, CNRS, LERMA, F-75014 Paris, France. [Arnaud, M.; Chamballu, A.; Marshall, D. J.] Univ Paris Diderot, CEA Saclay, Lab AIM, IRFU,Serv Astrophys,CEA,DSM,CNRS, F-91191 Gif Sur Yvette, France. [Cardoso, J. -F.] CNRS, Lab Traitement & Commun Informat, UMR 5141, F-75634 Paris 13, France. [Cardoso, J. -F.] Telecom ParisTech, F-75634 Paris 13, France. [Catalano, A.; Combet, C.; Macias-Perez, J. F.; Perotto, L.; Renault, C.] Univ Grenoble 1, Lab Phys Subat & Cosmol, Inst Natl Polytech Grenoble, CNRS,IN2P3, F-38026 Grenoble, France. [Van Tent, B.] Univ Paris 11, Lab Phys Theor, F-91405 Orsay, France. [Kisner, T. S.] CNRS, F-91405 Orsay, France. [Kisner, T. S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Ensslin, T. A.; Hernandez-Monteagudo, C.; Knoche, J.; Rachen, J. P.; Reinecke, M.; Riller, T.] Max Planck Inst Astrophys, D-85741 Garching, Germany. [Murphy, J. A.] Natl Univ Ireland, Dept Expt Phys, Maynooth, Kildare, Ireland. [Christensen, P. R.; Naselsky, P.; Novikov, I.] Niels Bohr Inst, DK-2100 Copenhagen, Denmark. [Crill, B. P.] CALTECH, Observat Cosmol, Pasadena, CA 91125 USA. [Savini, G.] UCL, Opt Sci Lab, London, England. [Baccigalupi, C.; Bielewicz, P.; Danese, L.; de Zotti, G.; Gonzalez-Nuevo, J.; Perrotta, F.] SISSA, Astrophys Sect, I-34136 Trieste, Italy. [Ade, P. A. R.; Munshi, D.; Spencer, L. D.; Sudiwala, R.] Cardiff Univ, Sch Phys & Astron, Cardiff CF24 3AA, S Glam, Wales. [Borrill, J.] Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. [Stolyarov, V.] Russian Acad Sci, Special Astrophys Observ, Karachai Cherkessian Rep 369167, Zelenchukskiy R, Russia. [Armitage-Caplan, C.; Dunkley, J.] Univ Oxford, Subdept Astrophys, Oxford OX1 3RH, England. [Benabed, K.; Bouchet, F. R.; Colombi, S.; Hivon, E.; Prunet, S.; Wandelt, B. D.] Univ Paris 06, UMR 7095, F-75014 Paris, France. [Alina, D.; Banday, A. J.; Bernard, J. -P.; Bielewicz, P.; Forni, O.; Giard, M.; Jaffe, T. R.; Montier, L.; Pointecouteau, E.; Ristorcelli, I.] Univ Toulouse, UPS OMP, IRAP, F-31028 Toulouse 4, France. [Reach, W. T.] Univ Space Res Assoc, Stratospher Observ Infrared Astron, Moffett Field, CA 94035 USA. [Battaner, E.; Benoit-Levy, A.] Univ Granada, Fac Ciencias, Dept Fis Teor & Cosmos, Granada, Spain. [Battaner, E.] Univ Granada, Inst Carlos Fis Teor & Comp 1, Granada, Spain. [Gorski, K. M.] Univ Warsaw Observ, PL-00478 Warsaw, Poland. RP Guillet, V (reprint author), Univ Paris 11, CNRS, UMR 8617, Inst Astrophys Spatiale, Batiment 121, F-91405 Orsay, France. 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. [Lahteenmaki, A.] Aalto Univ, Metsahovi Radio Observ, Aalto 00076, Finland. [Lahteenmaki, A.] Aalto Univ, Dept Radio Sci & Engn, Aalto 00076, Finland. [Kunz, M.] African Inst Math Sci, ZA-7950 Cape Town, South Africa. [Natoli, P.; Polenta, G.] Agenzia Spaziale Italiana, Sci Data Ctr, I-00133 Rome, Italy. [Mandolesi, N.] Agenzia Spaziale Italiana, Rome, Italy. [Ashdown, M.; Curto, A.; Hobson, M.; Lasenby, A.; Stolyarov, V.] Univ Cambridge, Cavendish Lab, Astrophys Grp, Cambridge CB3 0HE, England. [Chiang, H. C.] Univ KwaZulu Natal, Sch Math Stat & Comp Sci, Astrophys & Cosmol Res Unit, ZA-4000 Durban, South Africa. [Kneissl, R.] ALMA Santiago Cent Off, Atacama Large Millimeter Submillimeter Array, Santiago 0355, Chile. [Bond, J. R.; Martin, P. G.; Mivile-Deschenes, M. -A.] Univ Toronto, CITA, Toronto, ON M5S 3H8, Canada. [Alina, D.; Banda, A. J.; Bernard, J. -P.; Bielewicz, P.; Ferflere, K.; Forni, O.; Giard, M.; Jaffe, T. R.; Montier, L.; Pointecouteau, E.; Ristorcelli, I.] CNRS, IRAP, F-31028 Toulouse 4, France. [Bock, J. J.; Dore, O.; Helou, G.; Hildebrandt, S. R.; Pearson, T. J.; Rocha, G.] CALTECH, Pasadena, CA 91125 USA. [Hernandez-Monteagudo, C.] CEFCA, Teruel 44001, Spain. [Borrill, J.; Keskitalo, R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Cosmol Ctr, Berkeley, CA 94720 USA. [Rebolo, R.] CSIC, Madrid, Spain. [Chamballu, A.] CEA Saclay, DSM Irfu SPP, F-91191 Gif Sur Yvette, France. [Hornstrup, A.; Linden-Vornle, M.; Oxborrow, C. A.] Tech Univ Denmark, Natl Space Inst, DTU Space, DK-2800 Lyngby, Denmark. [Kunz, M.; Tucci, M.] Univ Geneva, Dept Phys Theor, CH-1211 Geneva 4, Switzerland. [Atrio-Barandela, F.] Univ Salamanca, Fac Ciencias, Dept Fis Fundamental, E-37008 Salamanca, Spain. [Toffolatti, L.] Univ Oviedo, Dept Fis, E-33007 Oviedo, Spain. [Netterfield, C. B.] Univ Toronto, Dept Astron & Astrophys, Toronto, ON, Canada. [Rachen, J. P.] Radboud Univ Nijmegen, Dept Astrophys, IMAAP, NL-6500 GL Nijmegen, Netherlands. [Scott, D.] Univ British Columbia, Dept Phys & Astron, Vancouver, BC V6T 121, Canada. [Scott, D.] Univ So Calif, Dana & David Dornsife Coll Letter Arts & Sci, Dept Phys & Astron, Los Angeles, CA 90089 USA. [Benoit-Levy, A.; Poidevin, F.] UCL, Dept Phys & Astron, London WC1E 6BT, England. [Huffenberger, K. M.] Florida State Univ, Dept Phys, Tallahassee, FL 32306 USA. [Juvela, M.; Keihaenen, E.; Kurki-Suonio, H.; Suur-Uski, A. -S.; Valiviita, J.] Univ Helsinki, Dept Phys, Helsinki 00560, Finland. [Chiang, H. C.; Fraisse, A. A.; Jones, W. C.] Princeton Univ, Dept Phys, Princeton, NJ 08544 USA. [Lubin, P. M.; Zonca, A.] Univ Calif Santa Barbara, Dept Phys, Santa Barbara, CA 93106 USA. [Wandelt, B. D.] Univ Illinois, Dept Phys, Urbana, IL USA. [Liguori, M.; Matarrese, S.] Univ Padua, Dipartimento Fis & Astron G Galilei, I-35131 Padua, Italy. [Burigana, C.; Mandolesi, N.; Natoli, P.] Univ Ferrara, Dipartimento Fis & Sci Terra, I-44122 Ferrara, Italy. [de Bernardis, P.; Masi, S.; Melchiorri, A.; Nati, E.; Pagano, L.; Piacentini, F.] Univ Roma La Sapienza, Dipartimento Fis, I-00185 Rome, Italy. [Bersanelli, M.; Maino, D.; Mennella, N.; Tomasi, M.] Univ Milan, Dipartimento Fis, I-20133 Milan, Italy. [Gregorio, A.] Univ Trieste, Dipartimento Fis, I-34127 Trieste, Italy. [Mazzotta, P.] Univ Roma Tor Vergata, Dipartimento Fis, I-00133 Rome, Italy. [Christensen, P. R.; Naselsky, P.] Niels Bohr Inst, Discovery Ctr, DK-2100 Copenhagen, Denmark. [Poidevin, F.; Rebolo, R.; Rubino-Martin, A.] Univ La Laguna, Dept Astrofis, E-38206 Tenerife, Spain. [Kneissl, R.] European So Observ, ESO Vitacura, Santiago 19, Chile. [Dupac, X.; Leonardi, R.; Mendes, L.] European Space Agcy, ESAC, Planck Sci Off, Madrid 28692, Spain. [Tauber, J. A.] European Space Agcy, Estec, NL-2201 AZ Noordwijk, Netherlands. [Kurki-Suonio, H.; Lahteenmaki, A.; Suur-Uski, A. -S.; Valiviita, J.] Univ Helsinki, Helsinki Inst Phys, SF-00100 Helsinki, Finland. [Umana, G.] INAF Osservatorio Astrofis Catania, I-95123 Catania, Italy. [de Zotti, G.] INAF Osservatorio Astron Padova, I-35122 Padua, Italy. [Polenta, G.] INAF Osservatorio Astron Roma, I-00040 Monte Porzio Catone, Italy. [Frailis, M.; Galeotta, S.; Gregorio, A.; Maris, M.; Pasian, F.; Zacchei, A.] INAF Osservatorio Astron Trieste, I-34131 Trieste, Italy. [Burigana, C.; Butler, R. C.; Cuttaia, E.; De Rosa, A.; Finelli, F.; Franceschi, E.; Gruppuse, A.; Mandolesi, N.; Morgante, G.; Natoli, P.; Paoletti, D.; Ricciardi, S.; Sandri, M.; Terenzi, L.; Valenziano, L.; Villa, F.] INAF IASF Bologna, I-40129 Bologna, Italy. [Bersanelli, M.; Donzelli, S.; Maino, D.; Mennella, N.; Tomasi, M.] INAF IASF Milano, I-20133 Milan, Italy. [Finelli, F.; Paoletti, D.] Ist Nazl Fis Nucl, Sez Bologna, I-40126 Bologna, Italy. [Melchiorri, A.; Pagano, L.] Univ Roma La Sapienza, Ist Nazl Fis Nucl, Sez Roma 1, I-00185 Rome, Italy. [Gregorio, A.] Ist Nazl Fis Nucl, Natl Inst Nucl Phys, I-34127 Trieste, Italy. [Desert, F. -X.] Univ Grenoble Alpes, IPAG, CNRS, F-38000 Grenoble, France. [Jaffe, A. H.; Mortlock, D.; Novikov, D.] Univ London Imperial Coll Sci Technol & Med, Astrophys Grp, Blackett Lab, London SW7 2AZ, England. [Chary, R. -R.; Paadini, R.; Pearson, T. J.; Rusholme, B.] CALTECH, Infrared Proc & Anal Ctr, Pasadena, CA 91125 USA. [Aghanim, N.; Alves, M. I. R.; Arzoumanian, D.; Aumont, J.; Boulanger, F.; Bracco, A.; Chamballu, A.; Douspis, M.; Ghosh, T.; Guillet, V.; Kunz, M.; Lagache, G.; Mivile-Deschenes, M. -A.; Pajot, F.; Puget, J. -L.; Remazeilles, M.] Univ Paris 11, CNRS, UMR8617, Inst Astrophys Spatiale, F-91405 Orsay, France. [Benabed, K.; Benoit-Levy, A.; Bouchet, F. R.; Cardoso, J. -F.; Colombi, S.; Hivon, E.; Moneti, A.; Prunet, S.; Sygnet, J. -F.; Wandelt, B. D.] CNRS, UMR7095, Inst Astrophys Paris, F-75014 Paris, France. [Popa, L.] Inst Space Sci, Bucharest 077125, Romania. [Efstathiou, G.; Harrison, D. L.; Migliaccio, M.; Sutton, D.] Univ Cambridge, Inst Astron, Cambridge CB3 0HA, England. [Eriksen, H. K.; Hansen, F. K.; Lilje, P. B.] Univ Oslo, Inst Theoret Astrophys, N-0371 Oslo, Norway. [Poidevin, F.; Rebolo, R.; Rubino-Martin, A.] Inst Astrofis Canarias, Tenerife 38205, Spain. [de Gouveia Dal Pino, E. M.; Magalhaes, A. M.] Univ Sao Paulo, Inst Astron Geofis & Ciencias Atmosfer, BR-05508090 Sao Paulo, Brazil. [Barreiro, R. B.; Curto, A.; Diego, J. M.; Gonzalez-Nuevo, J.; Lopez-Caniego, M.; Martinez-Gonzalez, E.; Toffolatti, L.; Vielva, P.] Univ Cantabria, CSIC, Inst Fis Cantabria, E-39005 Santander, Spain. [Bock, J. J.; Colombo, L. P. L.; Crill, B. P.; Dore, O.; Gorski, K. M.; Holmes, W. A.; Lawrence, C. R.; Pietrobon, D.; Rocha, G.; Roudier, G.; Wade, L. A.] CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. [Davies, R. D.; Davis, R. J.; Dickinson, C.; Leaiy, J. P.; Maffei, B.; Noviello, F.; Remazeilles, M.] Univ Manchester, Sch Phys & Astron, Jodrell Bank Ctr Astrophys, Manchester M13 9PL, Lancs, England. [Ashdown, M.; Harrison, D. L.; Lasenby, A.; Migliaccio, M.; Stolyarov, V.; Sutton, D.] Kavli Inst Cosmol Cambridge, Cambridge CB3 0HA, England. [Couchot, F.; Perdereau, O.; Plaszczynski, S.; Tristram, M.; Tucci, M.] Univ Paris 11, LAL, F-91400 Orsay, France. [Catalano, A.; Coulais, A.; Falgarone, E.; Lamarre, J. -M.; Levrier, F.; Roudier, G.] Observ Paris, CNRS, LERMA, F-75014 Paris, France. [Amaue, M.; Chamballu, A.; Marshall, D. J.; Pratt, G. W.] Univ Paris Diderot, CEA Saclay, Lab AIM, IRFU,Serv Astrophys,CEA,DSM,CNRS, F-91191 Gif Sur Yvette, France. [Cardoso, J. -F.] CNRS, UMR 5141, Lab Traitement & Commun Informat, F-75634 Paris 13, France. [Cardoso, J. -F.] Telecom ParisTech, F-75634 Paris 13, France. [Catalano, A.; Combet, C.; Macias-Perez, I. F.; Perotto, L.; Renault, C.] Univ Grenoble 1, Lab Phys Subatom & Cosmol, Inst Natl Polytech Grenoble, CNRS,IN2P3, F-38026 Grenoble, France. [Van Tent, B.] Univ Paris 11, Lab Phys Theor, F-91405 Orsay, France. [Van Tent, B.] CNRS, F-91405 Orsay, France. [Kisner, T. S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Ensslin, T. A.; Hernandez-Monteagudo, C.; Knoche, J.; Rachen, J. P.; Reinecke, M.; Riller, T.] Max Planck Inst Astrophys, D-85741 Garching, Germany. [Murphy, A.] Natl Univ Ireland, Dept Expt Phys, Maynooth, Kildare, Ireland. [Christensen, P. R.; Naselsky, P.; Novikov, I.] Niels Bohr Inst, DK-2100 Copenhagen, Denmark. [Crill, B. P.] CALTECH, Observat Cosmol, Pasadena, CA 91125 USA. [Savini, G.] UCL, Opt Sci Lab, London WC1E 6BT, England. [Baccigalupi, C.; Bielewicz, P.; Danese, L.; de Zotti, G.; Gonzalez-Nuevo, J.; Perrotta, F.] SISSA, Astrophys Sect, I-34136 Trieste, Italy. [Ade, P. A. R.; Munshi, D.; Spencer, L. D.; Sudiwala, R.] Cardiff Univ, Sch Phys & Astron, Cardiff CF24 3AA, S Glam, Wales. [Borrill, J.] Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. [Stolyarov, V.] Russian Acad Sci, Special Astrophys Observ, Karachai Cherkessian Rep, Zelenchukskiy R, Russia. [Armitage-Caplan, C.; Dunkley, J.] Univ Oxford, Subdept Astrophys, Oxford OX1 3RH, England. [Benabed, K.; Benoit-Levy, A.; Bouchet, F. R.; Colombi, S.; Hivon, E.; Prunet, S.; Wandelt, B. D.] Univ Paris 06, UMR7095, F-75014 Paris, France. [Alina, D.; Banda, A. J.; Bernard, J. -P.; Bielewicz, P.; Ferflere, K.; Forni, O.; Jaffe, T. R.; Montier, L.; Pointecouteau, E.; Ristorcelli, I.] Univ Toulouse, UPS OMP, IRAP, F-31028 Toulouse 4, France. [Reach, W. T.] Univ Space Res Assoc, Stratospher Observ Infrared Astron, Moffett Field, CA 94035 USA. [Battaner, E.; Giard, M.] Univ Granada, Dept Fis Teor & Cosmos, Fac Ciencias, E-18071 Granada, Spain. [Battaner, E.] Univ Granada, Inst Carlos Fis Teor & Comp 1, E-18071 Granada, Spain. [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. J.] Natl Univ Ireland Univ Coll Dublin, Sch Phys, Dublin 4, Ireland. [Chen, X.; Federici, S.; Pohl, M.; Telezhinsky, I.; Wilhelm, A.] Univ Potsdam, Inst Phys & Astron, D-14476 Potsdam, Germany. [Ciupik, L.; Grube, J.; Gyuk, G.] Adler Planetarium & Astron Museum, Dept Astron, Chicago, IL 60605 USA. [Cui, W.; Feng, Q.; Finley, J. P.; Sembroski, G. H.; Theiling, M.; Tucci, J. V.; Varlotta, A.] Purdue Univ, Dept Phys & Astron, W Lafayette, IN 47907 USA. [Dumm, J.; Fortson, L.; Shahinyan, K.] Univ Minnesota, Sch Phys & Astron, Minneapolis, MN 55455 USA. [Eisch, J. D.; Krennrich, F.; Weinstein, A.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Falcone, A.] Penn State Univ, Dept Astron & Astrophys, Davey Lab 525, University Pk, PA 16802 USA. [Furniss, A.; Johnson, C. A.; Williams, D. A.] Univ Calif Santa Cruz, Santa Cruz Inst Particle Phys, Santa Cruz, CA 95064 USA. [Furniss, A.; Johnson, C. A.; Williams, D. A.] Univ Calif Santa Cruz, Dept Phys, Santa Cruz, CA 95064 USA. [Griffiths, S. T.; Kaaret, P.] Univ Iowa, Dept Phys & Astron, Iowa City, IA 52242 USA. [Holder, J.; Kumar, S.] Univ Delaware, Dept Phys & Astron, Newark, DE 19716 USA. [Holder, J.; Kumar, S.] Univ Delaware, Bartol Res Inst, Newark, DE 19716 USA. [Humensky, T. B.] Columbia Univ, Dept Phys, New York, NY 10027 USA. [Kertzman, M.] Depauw Univ, Dept Phys & Astron, Greencastle, IN 46135 USA. [Kieda, D.] Univ Utah, Dept Phys & Astron, Salt Lake City, UT 84112 USA. [Lang, M. J.; Moriarty, P.] Natl Univ Ireland Galway, Sch Phys, Galway, Ireland. [McArthur, S.; Park, N.; Wakely, S. P.] Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. [Meagher, K.; Otte, A. N.; Richards, G. T.] Georgia Inst Technol, Sch Phys, Atlanta, GA 30332 USA. [Meagher, K.; Otte, A. N.; Richards, G. T.] Georgia Inst Technol, Ctr Relativist Astrophys, Atlanta, GA 30332 USA. [Moriarty, P.] Galway Mayo Inst Technol, Dept Life & Phys Sci, Galway, Ireland. [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-