FN Thomson Reuters Web of Science™ VR 1.0 PT J AU Floor, SN Doudna, JA AF Floor, Stephen N. Doudna, Jennifer A. TI Get in LINE: Competition for Newly Minted Retrotransposon Proteins at the Ribosome SO MOLECULAR CELL LA English DT Editorial Material AB In this issue, Ahl et al. (2015) and Doucet et al. (2015) illuminate structural and functional features of substrates that promote integration of RNA molecules into the human genome by LINE retrotransposons, contributing to the similar to 50% of the human genome that has been colonized by mobile genetic elements. C1 [Floor, Stephen N.; Doudna, Jennifer A.] Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. [Floor, Stephen N.; Doudna, Jennifer A.] Univ Calif Berkeley, Howard Hughes Med Inst, Berkeley, CA 94720 USA. [Doudna, Jennifer A.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Doudna, Jennifer A.] Univ Calif Berkeley, Innovat Genom Initiat, Berkeley, CA 94720 USA. [Doudna, Jennifer A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Doudna, JA (reprint author), Univ Calif Berkeley, Dept Mol & Cell Biol, 229 Stanley Hall, Berkeley, CA 94720 USA. EM doudna@berkeley.edu OI Floor, Stephen/0000-0002-9965-9694 FU Howard Hughes Medical Institute NR 11 TC 1 Z9 1 U1 3 U2 7 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 1097-2765 EI 1097-4164 J9 MOL CELL JI Mol. Cell PD DEC 3 PY 2015 VL 60 IS 5 BP 712 EP 714 DI 10.1016/j.molcel.2015.11.014 PG 4 WC Biochemistry & Molecular Biology; Cell Biology SC Biochemistry & Molecular Biology; Cell Biology GA DB1SX UT WOS:000368290300002 PM 26638173 ER PT J AU Gong, Y Michelini, MC Gibson, JK AF Gong, Yu Michelini, Maria C. Gibson, John K. TI Electrospray production and collisional dissociation of lanthanide/methylsulfonyl anion complexes: Sulfur dioxide anion as a ligand SO INTERNATIONAL JOURNAL OF MASS SPECTROMETRY LA English DT Article DE Collision induced dissociation; Lanthanide complexes; Methane sulfinate; Sulfur dioxide anion; Density functional theory; Divalent lanthanides ID GAS-PHASE URANYL; LANTHANIDE THERMODYNAMIC PREDICTIONS; QUADRUPOLE ION-TRAP; METHOXYSULFINYL RADICALS; DENSITY FUNCTIONALS; AB-INITIO; CHEMISTRY; ELEMENTS; METHYLSULFONYL; DECOMPOSITION AB Gas-phase lanthanide-SO2 complexes, Ln(CH3SO2)(3)(SO2)(-), were produced by collision induced dissociation (CID) of Ln(CH3SO2)(4)(-) precursors prepared by electrospray ionization. For all lanthanides except Eu, CID of Ln(CH3SO2)(4)(-) resulted in CH3 loss to form Ln(CH3SO2)(3)(SO2)(-), which spontaneously react with O-2 to form Ln(CH3SO2)(3)(O-2)(-). CID of Eu(CH3SO2)(4)(-) produced only Eu(CH3SO2)(3)(-), with reduction from Eu(III) to Eu(II). For Ln =Yb and Sm, the Ln(CH3SO2)(4)(-) underwent neutral ligand loss to form Ln(CH3SO2)(3)(-), which reacted with O-2 to yield Ln(CH3SO2)(3)(O-2)(-), recovering the Ln(III) oxidation state. The CID results show parallels to condensed-phase Ln(3+)/Ln(2+) redox chemistry. Density functional theory (DFT) calculations on Ln(CH3SO2)(3)(SO2)- for Ln=La, Yb and Lu reveal that SO2 acts as a bidentate oxygen bound ligand for doublet ground-state La(CH3SO2)(3)(SO2)(-) and Lu(CH3SO2)(3)(SO2)(-), while the ground state for Yb(CH3SO2)(3)(SO2)- is an open-shell singlet with a monodentate SO2 ligand. Loss of CH3 is computed to be much more favorable than neutral ligand loss for La(CH3SO2)(4)(-) and Lu(CH3SO2)(4)(-), whereas both channels are comparable in energy for Yb(CH3SO2)(4)(-), in accord with the experiments. DFT results for fragmentation of Cu(CH3SO2)(2)(-) reveal that formation of the organometallic complex, Cu(CH3SO2)(CH3)(-), is energetically most favorable, in agreement with contrasting fragmentation pathways of copper and lanthanide complexes. (C) 2015 Elsevier B.V. All rights reserved. C1 [Gong, Yu; Gibson, John K.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Michelini, Maria C.] Univ Calabria, Dipartimento Chim, I-87030 Arcavacata Di Rende, Italy. RP Gibson, JK (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. EM mc.michelini@unical.it; jkgibson@lbl.gov FU U.S. Department of Energy, Office of Basic Energy Sciences, Heavy Element Chemistry, at LBNL [DE-AC02-05CH11231]; Universita della Calabria; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX The work of YG and JKG was fully supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Heavy Element Chemistry, at LBNL under Contract No. DE-AC02-05CH11231. MCM acknowledges support by the Universita della Calabria. This research used resources of the National Energy Research Scientific Computing Center (NERSC), which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 39 TC 1 Z9 1 U1 4 U2 13 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1387-3806 EI 1873-2798 J9 INT J MASS SPECTROM JI Int. J. Mass Spectrom. PD DEC 3 PY 2015 VL 392 BP 45 EP 52 DI 10.1016/j.ijms.2015.09.003 PG 8 WC Physics, Atomic, Molecular & Chemical; Spectroscopy SC Physics; Spectroscopy GA CY5IQ UT WOS:000366441700008 ER PT J AU Cheng, S Wang, J Cai, Y Loo, JA Chen, H AF Cheng, Si Wang, Jun Cai, Yi Loo, Joseph A. Chen, Hao TI Enhancing performance of liquid sample desorption electrospray ionization mass spectrometry using trap and capillary columns SO INTERNATIONAL JOURNAL OF MASS SPECTROMETRY LA English DT Article DE Mass spectrometry; Desorption electrospray ionization; Desalting and enrichment; Online enzyme digestion; Phosphoprotein ID DESI-MS; PROTEIN DIGESTION; URINE; DRUGS; METABOLITES; ONLINE; MICROEXTRACTION; PROTEOLYSIS; PEPTIDES; PHASE AB Desorption electrospray ionization mass spectrometry (DESI-MS) is a recent and important advance in the field that has extensive applications in surface analysis of solid samples but has also been extended to analysis of liquid samples. The liquid sample DESI typically employs a piece of fused silica capillary to transfer liquid sample for ionization. In this study, we present the improvement of liquid sample DESI-MS by replacing the sample transfer silica capillary with a trap column filled with chromatographic stationary phase materials (e.g., C4, C18). This type of trap column/liquid sample DESI can be used for trace analysis of organics and biomolecules such as proteins/peptides (in nM concentration) in high salt content matrices. Furthermore, when the sample transfer capillary is modified with enzyme covalently bound on its inside capillary wall, fast digestion (<6 min) of proteins such as phosphoproteins can be achieved and the online digested proteins can be directly ionized using DESI with high sensitivity. The latter is ascribed to the freedom to select favorable spray solvent for the DESI analysis. Our data show that liquid sample DESI-MS with a modified sample transfer capillary has significantly expanded utility in bioanalysis. (C) 2015 Elsevier B.V. All rights reserved. C1 [Cheng, Si; Wang, Jun; Cai, Yi; Chen, Hao] Ohio Univ, Dept Chem & Biochem, Edison Biotechnol Inst, Ctr Intelligent Chem Instrumentat, Athens, OH 45701 USA. [Wang, Jun] Jiangsu Police Inst, Dept Forens Sci, Nanjing 210031, Jiangsu, Peoples R China. [Loo, Joseph A.] Univ Calif Los Angeles, Dept Chem & Biochem, David Geffen Sch Med, Dept Biol Chem, Los Angeles, CA 90095 USA. [Loo, Joseph A.] Univ Calif Los Angeles, DOE Inst Genom & Prote, Los Angeles, CA 90095 USA. RP Wang, J (reprint author), Jiangsu Police Inst, Dept Forens Sci, Nanjing 210031, Jiangsu, Peoples R China. EM kwangjun@jspi.edu.cn; JLoo@chem.ucla.edu; chenh2@ohio.edu FU NSF [CHE-1149367, CHE-1455554]; NNSFC [21328502]; National Institutes of Health [R01GM103479] FX This work was supported by NSF Career Award (CHE-1149367), NSF (CHE-1455554), and NNSFC (21328502). JAL acknowledges support from the National Institutes of Health (R01GM103479). NR 51 TC 4 Z9 4 U1 6 U2 14 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1387-3806 EI 1873-2798 J9 INT J MASS SPECTROM JI Int. J. Mass Spectrom. PD DEC 3 PY 2015 VL 392 BP 73 EP 79 DI 10.1016/j.ijms.2015.09.010 PG 7 WC Physics, Atomic, Molecular & Chemical; Spectroscopy SC Physics; Spectroscopy GA CY5IQ UT WOS:000366441700013 PM 27239159 ER PT J AU Xiao, CX Li, Z Guthrey, H Moseley, J Yang, Y Wozny, S Moutinho, H To, B Berry, JJ Gorman, B Yan, YF Zhu, K Al-Jassimt, M AF Xiao, Chuanxiao Li, Zhen Guthrey, Harvey Moseley, John Yang, Ye Wozny, Sarah Moutinho, Helio To, Bobby Berry, Joseph J. Gorman, Brian Yan, Yanfa Zhu, Kai Al-Jassimt, Mowafak TI Mechanisms of Electron-Beam-Induced Damage in Perovskite Thin Films Revealed by Cathodoluminescence Spectroscopy SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID SOLAR-CELLS; CH3NH3PBI3 PEROVSKITE; ORGANOLEAD TRIHALIDE; HALIDE PEROVSKITES; SINGLE-CRYSTALS; PERFORMANCE; DIFFUSION; TRANSPORT; LENGTHS; MORPHOLOGIES AB Electron-beam-induced damages in methylammonium lead triiodide (MAPbI(3)) perovskite thin films were studied by cathodoluminescence (CL) spectroscopy. We find that high-energy electron beams can significantly alter perovskite properties through two distinct mechanisms: (1) defect formation caused by irradiation damage and (2) phase transformation induced by electron-beam heating. The former mechanism causes quenching and broadening of the excitonic peaks in CL spectra, whereas the latter results in new peaks with higher emission photon energy. The electron-beam damage strongly depends on the electron-beam irradiation conditions. Although CL is a powerful technique for investigating the electronic properties of perovskite materials, irradiation conditions should be carefully controlled to avoid any significant beam damage. In general, reducing acceleration voltage and probing current, coupled with low-temperature cooling, is more favorable for CL characterization and potentially for other scanning electron-beam-based techniques as well. We have also shown that the stability of perovskite materials under electron-beam irradiation can be improved by reducing defects in the original thin films. In addition, we investigated effects of electron-beam irradiation on formamidinium lead triiodide (FAPbI(3)) and CsPbI3 thin films. FAPbI(3) shows similar behavior as MAPbI(3), whereas CsPbI3 displays higher resistance to electron-beam damage than its organic inorganic hybrid counterparts. Using CsPbI3 as a model material, we observed nonuniform luminescence in different grains of perovskite thin films. We also discovered that black-to-yellow phase transformation of CsPbI3 tends to start from the junctions at grain boundaries. C1 [Xiao, Chuanxiao; Li, Zhen; Guthrey, Harvey; Moseley, John; Yang, Ye; Moutinho, Helio; To, Bobby; Berry, Joseph J.; Zhu, Kai; Al-Jassimt, Mowafak] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Xiao, Chuanxiao; Moseley, John; Gorman, Brian] Colorado Sch Mines, Golden, CO 80401 USA. [Wozny, Sarah] Univ New Orleans, New Orleans, LA 70148 USA. [Yan, Yanfa] Univ Toledo, Toledo, OH 43606 USA. RP Yan, YF (reprint author), Univ Toledo, 2801 W Bancroft St, Toledo, OH 43606 USA. EM yanfa.yan@utoledo.edu; kai.zhu@nrel.gov; mowafak.aljassim@nrel.gov RI Li, Zhen/E-9341-2015 OI Li, Zhen/0000-0003-1177-2818 FU U.S. Department of Energy [DE-AC36-08GO28308]; National Renewable Energy Laboratory FX This work was supported by the U.S. Department of Energy under Contract DE-AC36-08GO28308 with the National Renewable Energy Laboratory. NR 34 TC 17 Z9 17 U1 6 U2 63 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 DEC 3 PY 2015 VL 119 IS 48 BP 26904 EP 26911 DI 10.1021/acs.jpcc.5b09698 PG 8 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA CX9EA UT WOS:000366006600013 ER PT J AU Skripov, AV Skoryunov, RV Soloninin, AV Babanova, OA Tang, WS Stavila, V Udovic, TJ AF Skripov, Alexander V. Skoryunov, Roman V. Soloninin, Alexei V. Babanova, Olga A. Tang, Wan Si Stavila, Vitalie Udovic, Terrence J. TI Anion Reorientations and Cation Diffusion in LiCB11H12 and NaCB11H12: H-1, Li-7, and Na-23 NMR Studies SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID NUCLEAR-MAGNETIC-RESONANCE; PHASE-TRANSITIONS; NA2B12H12; LI2B12H12; LIBH4 AB To study the dynamical properties of the monocarba-closo-dodecaborates LiCB11H12 and NaCB11H12 showing the exceptionally high ionic conductivities in the high-temperature disordered phases, we have measured the temperature dependences of the H-1, Li-7, and Na-23 NMR spectra and spin-lattice relaxation rates in these compounds below and above the phase transition points. It has been found that for both compounds the transition-from the low-T ordered to the high-T disordered phase (near 384 and 376 K for LiCB11H12 and NaCB11H12, respectively) is accompanied by a nearly 3 orders of magnitude increase in the reorientational jump rate of [CB11H12](-) anions. The results of our Li-7 and Na-23 NMR measurements indicate that the phase transitions from the low-T to the high-T phases of both LiCB11H12 and NaCB11H12 are also accompanied by a strong acceleration of translational diffusion of cations (Li+ or Na+). In the high-T phases of LiCB11H12 and NaCB11H12, the cation diffusion is characterized by low activation energies: 92 (7) and 152 (8) meV, respectively. These results are consistent with the high superionic conductivity in the disordered phases of LiCB11H12 and NaCB11H12; furthermore, they suggest that the enhanced reorientational mobility of large nearly spherical anions may facilitate the translational mobility of the cations. C1 [Skripov, Alexander V.; Skoryunov, Roman V.; Soloninin, Alexei V.; Babanova, Olga A.] Russian Acad Sci, Ural Div, Inst Met Phys, Ekaterinburg 620990, Russia. [Tang, Wan Si; Udovic, Terrence J.] NIST, NIST Ctr Neutron Res, Gaithersburg, MD 20899 USA. [Tang, Wan Si] Univ Maryland, Dept Mat Sci & Engn, College Pk, MD 20742 USA. [Stavila, Vitalie] Sandia Natl Labs, Energy Nanomat, Livermore, CA 94551 USA. RP Skripov, AV (reprint author), Russian Acad Sci, Ural Div, Inst Met Phys, S Kovalevskoi 18, Ekaterinburg 620990, Russia. EM skripov@imp.uran.ru RI Babanova, Olga/J-4821-2013; Skripov, Alexander/K-4525-2013; Soloninin, Alexey/J-8580-2013; OI Babanova, Olga/0000-0002-2422-3263; Skripov, Alexander/0000-0002-0610-5538; Soloninin, Alexey/0000-0001-7127-9641; Skoryunov, Roman/0000-0001-6158-9056 FU Russian Federal Agency of Scientific Organizations [01201463330]; Russian Foundation for Basic Research [15-03-01114]; Ural Branch of the Russian Academy of Sciences [15-9-2-9] FX This work was carried out within the assignment of the Russian Federal Agency of Scientific Organizations (program "Spin" No. 01201463330), supported in part by the Russian Foundation for Basic Research (Grant No. 15-03-01114) and by the Grant No. 15-9-2-9 from the Ural Branch of the Russian Academy of Sciences. NR 17 TC 5 Z9 5 U1 5 U2 18 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 DEC 3 PY 2015 VL 119 IS 48 BP 26912 EP 26918 DI 10.1021/acs.jpcc.5b10055 PG 7 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA CX9EA UT WOS:000366006600014 ER PT J AU Han, CW Iddir, H Uzun, A Curtiss, LA Browning, ND Gates, BC Ortalan, V AF Han, Chang Wan Iddir, Hakim Uzun, Alper Curtiss, Larry A. Browning, Nigel D. Gates, Bruce C. Ortalan, Volkan TI Migration of Single Iridium Atoms and Tri-iridium Clusters on MgO Surfaces: Aberration-Corrected STEM Imaging and Ab Initio Calculations SO JOURNAL OF PHYSICAL CHEMISTRY LETTERS LA English DT Article ID TRANSMISSION ELECTRON-MICROSCOPY; BEAM-INDUCED DEPOSITION; TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; GROWTH; MECHANISMS; CATALYST; GOLD; PURIFICATION; NUCLEATION AB To address the challenge of fast, direct atomic-scale visualization of the migration of atoms and clusters on surfaces, we used aberration-corrected scanning transmission electron microscopy (STEM) with high scan speeds (as little as similar to 0.1 s per frame) to visualize the migration of (1) a heavy atom (Ir) on the surface of a support consisting of light atoms, MgO(100), and (2) an Ir-3 cluster on MgO(110). Sequential Z-contrast images elucidate the surface transport mechanisms. Density functional theory (DFT) calculations provided estimates of the migration energy barriers and binding energies of the iridium species to the surfaces. The results show how the combination of fast-scan STEM and DFT calculations allow visualization and fundamental understanding of surface migration phenomena pertaining to supported catalysts and other materials. C1 [Han, Chang Wan; Ortalan, Volkan] Purdue Univ, Sch Mat Engn, W Lafayette, IN 47907 USA. [Han, Chang Wan; Ortalan, Volkan] Purdue Univ, Birck Nanotechnol Ctr, W Lafayette, IN 47907 USA. [Iddir, Hakim; Curtiss, Larry A.] Argonne Natl Lab, Div Mat Sci, Lemont, IL 60439 USA. [Uzun, Alper] Koc Univ, Dept Chem & Biol Engn, TR-34459 Istanbul, Turkey. [Browning, Nigel D.] Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA. [Gates, Bruce C.] Univ Calif Davis, Dept Chem Engn & Mat Sci, Davis, CA 95616 USA. RP Ortalan, V (reprint author), Purdue Univ, Sch Mat Engn, W Lafayette, IN 47907 USA. EM vortalan@purdue.edu OI Browning, Nigel/0000-0003-0491-251X; Uzun, Alper/0000-0001-7024-2900 FU U.S. Department of Energy [DE-AC05-76RL01830]; DOE BES Grant [FG02-04ER15513]; DOE Office of Science User Facility [DE-AC02-06CH11357] FX Microscopy (Aberration-corrected FEI Titan STEM imaging) was conducted at the Center for Nanophase Materials Sciences, which is a DOE Office of Science User Facility; computer time at the Fusion computer facility, Carbon cluster at the Nanoscience and Technology center at Argonne National Laboratory under contract DE-AC02-06CH11357; and in part by the Chemical Imaging LDRD Initiative at Pacific Northwest National Laboratory, which is operated by Battelle Memorial Institute for the U.S. Department of Energy under Contract No. DE-AC05-76RL01830. Work at the University of California was supported by DOE BES Grant FG02-04ER15513. NR 34 TC 2 Z9 2 U1 12 U2 52 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 DEC 3 PY 2015 VL 6 IS 23 BP 4675 EP 4679 DI 10.1021/acs.jpclett.5b01884 PG 5 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Atomic, Molecular & Chemical SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CX9ET UT WOS:000366008500001 PM 26544015 ER PT J AU Yang, Y Yang, MJ Li, Z Crisp, R Zhu, K Beard, MC AF Yang, Ye Yang, Mengjin Li, Zhen Crisp, Ryan Zhu, Kai Beard, Matthew C. TI Comparison of Recombination Dynamics in CH3NH3PbBr3 and CH3NH3PbI3 Perovskite Films: Influence of Exciton Binding Energy SO JOURNAL OF PHYSICAL CHEMISTRY LETTERS LA English DT Article ID ORGANOMETAL HALIDE PEROVSKITES; LOW SURFACE RECOMBINATION; HYBRID SOLAR-CELLS; RADIATIVE RECOMBINATION; AUGER RECOMBINATION; SINGLE-CRYSTALS; CHARGE-CARRIERS; EFFICIENCY; PHOTODETECTORS; SEMICONDUCTORS AB Understanding carrier recombination in semiconductors is a critical component when developing practical applications. Here we measure and compare the monomolecular, bimolecular, and trimolecular (Auger) recombination rate constants of CH3NH3PbBr3 and CH3NH3PbI3. The monomolecular and bimolecular recombination rate constants for both samples are limited by trap-assisted recombination. The bimolecular recombination rate constant for CH3NH3PbBr3 is similar to 3.3 times larger than that for CH3NH3PbI3 and both are in line with that found for radiative recombination in other direct-gap semiconductors. The Auger recombination rate constant is 4 times larger in lead-bromide-based perovskite compared with lead-iodide-based perovskite and does not follow the reduced Auger rate when the bandgap increases. The increased Auger recombination rate, which is enhanced by Coulomb interactions, can be ascribed to the larger exciton binding energy, similar to 40 meV, in CH3NH3PbBr3 compared with similar to 13 meV in CH3NH3PbI3. C1 [Yang, Ye; Yang, Mengjin; Li, Zhen; Crisp, Ryan; Zhu, Kai; Beard, Matthew C.] Natl Renewable Energy Lab, Chem & Nanosci Ctr, Golden, CO 80401 USA. RP Beard, MC (reprint author), Natl Renewable Energy Lab, Chem & Nanosci Ctr, Golden, CO 80401 USA. EM matt.beard@nrel.gov RI Yang, Ye/D-5675-2015; OI BEARD, MATTHEW/0000-0002-2711-1355 FU Division of Chemical Sciences, Geosciences and Biosciences, Office of Basic Energy Sciences of U.S. Department of Energy through Solar Photochemistry Program [DE-AC36-08GO28308] FX This work was supported by the Division of Chemical Sciences, Geosciences and Biosciences, Office of Basic Energy Sciences of the U.S. Department of Energy through the Solar Photochemistry Program under contract no. DE-AC36-08GO28308 to NREL. NR 46 TC 39 Z9 39 U1 30 U2 140 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 DEC 3 PY 2015 VL 6 IS 23 BP 4688 EP 4692 DI 10.1021/acs.jpclett.5b02290 PG 5 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Atomic, Molecular & Chemical SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CX9ET UT WOS:000366008500003 PM 26551036 ER PT J AU Chen, B Yang, MJ Zheng, XJ Wu, CC Li, WL Yan, YK Bisquert, J Garcia-Belmonte, G Zhu, K Priya, S AF Chen, Bo Yang, Mengjin Zheng, Xiaojia Wu, Congcong Li, Wenle Yan, Yongke Bisquert, Juan Garcia-Belmonte, Germa Zhu, Kai Priya, Shashank TI Impact of Capacitive Effect and Ion Migration on the Hysteretic Behavior of Perovskite Solar Cells SO JOURNAL OF PHYSICAL CHEMISTRY LETTERS LA English DT Article ID METHYLAMMONIUM LEAD IODIDE; ANOMALOUS HYSTERESIS; V HYSTERESIS; DEPOSITION; CRYSTALLIZATION; POLARIZATION; SENSITIZERS; EMERGENCE; LAYER; FILMS AB In the past five years, perovskite solar cells (PSCs) based on organometal halide perovskite have exhibited extraordinary photovoltaic (PV) performance. However, the PV measurements of PSCs have been widely recognized to depend on voltage scanning condition (hysteretic current density voltage [J-V] behavior), as well as on voltage treatment history. In this study, we find that varied PSC responses are attributable to two causes. First, capacitive effect associated with electrode polarization provides a slow transient non-steady-state photocurrent that modifies the J-V response. Second, modification of interfacial barriers induced by ion migration can modulate charge-collection efficiency so that it causes a pseudo-steady-state photocurrent, which changes according to previous voltage conditioning. Both phenomena are strongly influenced by ions accumulating at outer interfaces, but their electrical and PV effects are different. The time scale for decay of capacitive current is on the order of seconds, whereas the slow redistribution of mobile ions requires several minutes. C1 [Chen, Bo; Zheng, Xiaojia; Wu, Congcong; Yan, Yongke; 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. [Li, Wenle] Virginia Tech, Chem Engn, Blacksburg, VA 24061 USA. [Bisquert, Juan; Garcia-Belmonte, Germa] Univ Jaume 1, Inst Adv Mat INAM, Castellon de La Plana 12006, Spain. [Bisquert, Juan] King Abdulaziz Univ, Fac Sci, Dept Chem, Jeddah 21589, Saudi Arabia. RP Chen, B (reprint author), Virginia Tech, Ctr Energy Harvesting Mat & Syst, Blacksburg, VA 24061 USA. EM bochen09@vt.edu; bisquert@uji.es; kai.zhu@nrel.gov RI Garcia-Belmonte, Germa/C-3719-2017; Faculty of, Sciences, KAU/E-7305-2017; OI Garcia-Belmonte, Germa/0000-0002-0172-6175; Zheng, Xiaojia/0000-0002-3963-4073; Yang, Mengjin/0000-0003-2019-4298 FU U.S. Army [W15P7T-13-C-A910]; U.S. Department of Energy Sun Shot Initiative under Next Generation Photovoltaics 3 program [DE-FOA-0000990, DE-AC36-08-GO28308]; Generalitat Valenciana project [PROMETEO/2014/020]; NSF I/UCRC: Center for Energy Harvesting Materials and Systems through Fundamental Research Program FX The authors gratefully acknowledge the financial support through the U.S. 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 Sun Shot Initiative under the Next Generation Photovoltaics 3 program (DE-FOA-0000990) under Contract No. DE-AC36-08-GO28308. S.P. and C.W. also appreciate support from the NSF I/UCRC: Center for Energy Harvesting Materials and Systems through Fundamental Research Program. The work at INAM-UJI was supported by Generalitat Valenciana project PROMETEO/2014/020. NR 45 TC 44 Z9 44 U1 17 U2 94 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 DEC 3 PY 2015 VL 6 IS 23 BP 4693 EP 4700 DI 10.1021/acs.jpclett.5b02229 PG 8 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Atomic, Molecular & Chemical SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CX9ET UT WOS:000366008500004 PM 26550850 ER PT J AU Zherebetskyy, D Zhang, YJ Salmeron, M Wang, LW AF Zherebetskyy, Danylo Zhang, Yingjie Salmeron, Miguel Wang, Lin-Wang TI Tolerance of Intrinsic Defects in PbS Quantum Dots SO JOURNAL OF PHYSICAL CHEMISTRY LETTERS LA English DT Article ID TOTAL-ENERGY CALCULATIONS; AUGMENTED-WAVE METHOD; NANOCRYSTAL SOLIDS; GAP STATES; BASIS-SET; DEVICE; STABILITY; SURFACE; METALS; FILMS AB Colloidal quantum dots exhibit various defects and deviations from ideal structures due to kinetic processes, although their band gap frequently remains open and clean. In this Letter, we computationally investigate intrinsic defects in a real-size PbS quantum dot passivated with realistic Cl-ligands. We show that the colloidal intrinsic defects are ionic in nature. Unlike previous computational results, we find that even nonideal, atomically nonstoichiometric quantum dots have a clean band gap without in-gap-states provided that quantum dots satisfy electronic stoichiometry. C1 [Zherebetskyy, Danylo; Zhang, Yingjie; Salmeron, Miguel; Wang, Lin-Wang] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Zhang, Yingjie] Univ Calif Berkeley, Appl Sci & Technol Grad Program, Berkeley, CA 94720 USA. RP Wang, LW (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM lwwang@lbl.gov FU Office of Science, the Office of Basic Energy Sciences, Materials Sciences and Engineering Division of the U.S. Department of Energy (DOE) through the organic/inorganic nanocomposite program [DE-AC02-05CH11231]; Office of Science of the DOE [DE-AC02-05CH11231, DE-AC05-00OR22725] FX This work was financially supported by the Director, Office of Science, the Office of Basic Energy Sciences, Materials Sciences and Engineering Division of the U.S. Department of Energy (DOE) through the organic/inorganic nanocomposite program under contract DE-AC02-05CH11231. It used computational resources of the National Energy Research Scientific Computing Center supported by the Office of Science of the DOE under contract DE-AC02-05CH11231. Computations also used resources of the Oak Ridge Leadership Computing Facility at the Oak Ridge National Laboratory, which is supported by the Office of Science of the DOE under contract no. DE-AC05-00OR22725, with computational time allocated by the Innovative and Novel Computational Impact on Theory and Experiment project. We thank Chris Barrett for editing the manuscript. NR 38 TC 9 Z9 9 U1 6 U2 21 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 DEC 3 PY 2015 VL 6 IS 23 BP 4711 EP 4716 DI 10.1021/acs.jpclett.5b02202 PG 6 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Atomic, Molecular & Chemical SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CX9ET UT WOS:000366008500006 PM 26554672 ER PT J AU Mardis, KL Webb, JN Holloway, T Niklas, J Poluektov, OG AF Mardis, Kristy L. Webb, Jeremy N. Holloway, Tarita Niklas, Jens Poluektov, Oleg G. TI Electronic Structure of Fullerene Acceptors in Organic Bulk-Heterojunctions: A Combined EPR and DFT Study SO JOURNAL OF PHYSICAL CHEMISTRY LETTERS LA English DT Article ID ZETA VALENCE QUALITY; GAUSSIAN-BASIS SETS; SOLAR-CELLS; CHARGE SEPARATION; PARAMAGNETIC-RESONANCE; PULSED EPR; ATOMS LI; POLYMER; DENSITY; SPECTROSCOPY AB Organic photovoltaic (OPV) devices are a promising alternative energy source. Attempts to improve their performance have focused on the optimization of electron-donating polymers, while electron-accepting fullerenes have received less attention. Here, we report an electronic structure study of the widely used soluble fullerene derivatives PC61BM and PC71BM in their singly reduced state, that are generated in the polymer:fullerene blends upon light-induced charge separation. Density functional theory (DFT) calculations characterize the electronic structures of the fullerene radical anions through spin density distributions and magnetic resonance parameters. The good agreement of the calculated magnetic resonance parameters with those determined experimentally by advanced electron paramagnetic resonance (EPR) allows the validation of the DFT calculations. Thus, for the first time, the complete set of magnetic resonance parameters including directions of the principal g-tensor axes were determined. For both molecules, no spin density is present on the PCBM side chain, and the axis of the largest g-value lies along the PCBM molecular axis. While the spin density distribution is largely uniform for PC61BM, it is not evenly distributed for PC,BM. C1 [Mardis, Kristy L.; Webb, Jeremy N.; Holloway, Tarita] Chicago State Univ, Dept Chem & Phys, Chicago, IL 60628 USA. [Niklas, Jens; Poluektov, Oleg G.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Mardis, KL (reprint author), Chicago State Univ, Dept Chem & Phys, Chicago, IL 60628 USA. EM kmardis@csu.edu; oleg@anl.gov RI Niklas, Jens/I-8598-2016; OI Niklas, Jens/0000-0002-6462-2680; Mardis, Kristy/0000-0003-2633-9304 FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences at Argonne National Laboratory [DE-AC02-06CH11357]; Illinois Space Grant Consortium; NIH/NIGMS [R25 GM059218]; Army Research Laboratory [W911NF-08-20039] FX This material is based upon work supported by U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences, under Contract Number DE-AC02-06CH11357 at Argonne National Laboratory (J.N. and O.P.G.). K.L.M. was supported by the Illinois Space Grant Consortium. J.N.W. was supported by the NIH/NIGMS (R25 GM059218), and T.H. was supported by the Army Research Laboratory (Contract W911NF-08-20039). NR 57 TC 2 Z9 2 U1 7 U2 44 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 DEC 3 PY 2015 VL 6 IS 23 BP 4730 EP 4735 DI 10.1021/acs.jpclett.5b02111 PG 6 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Atomic, Molecular & Chemical SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CX9ET UT WOS:000366008500010 PM 26569578 ER PT J AU Crisp, RW Callahan, R Reid, OG Dolzhnikov, DS Talapin, DV Rumbles, G Luther, JM Kopidakis, N AF Crisp, Ryan W. Callahan, Rebecca Reid, Obadiah G. Dolzhnikov, Dmitriy S. Talapin, Dmitri V. Rumbles, Garry Luther, Joseph M. Kopidakis, Nikos TI Photoconductivity of CdTe Nanocrystal-Based Thin Films: Te2- Ligands Lead To Charge Carrier Diffusion Lengths Over 2 mu m SO JOURNAL OF PHYSICAL CHEMISTRY LETTERS LA English DT Article ID QUANTUM-DOT SOLIDS; SOLAR-CELLS; COLLOIDAL NANOCRYSTALS; ELECTRICAL-PROPERTIES; SURFACE LIGANDS; CDSE; TRANSPORT; LAYER; PHOTOVOLTAICS; PERFORMANCE AB We report on photoconductivity of films of CdTe nanocrystals (NCs) using time-resolved microwave photoconductivity (TRMC). Spherical and tetrapodal CdTe NCs with tunable size-dependent properties are studied as a function of surface ligand (including inorganic molecular chalcogenide species) and annealing temperature. Relatively high carrier mobility is measured for films of sintered tetrapod NCs (4 cm(2)/(V s)). Our TRMC findings show that Te2- capped CdTe NCs show a marked improvement in carrier mobility (11 cm(2)/(V s)), indicating that NC surface termination can be altered to play a crucial role in charge-carrier mobility even after the NC solids are sintered into bulk films. C1 [Crisp, Ryan W.; Callahan, Rebecca; Rumbles, Garry; Luther, Joseph M.; Kopidakis, Nikos] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Crisp, Ryan W.] Colorado Sch Mines, Dept Phys, Golden, CO 80401 USA. [Callahan, Rebecca] Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA. [Reid, Obadiah G.] Univ Colorado, Renewable & Sustainable Energy Inst, Boulder, CO 80309 USA. [Dolzhnikov, Dmitriy S.] Univ Chicago, Dept Chem, Chicago, IL 60637 USA. RP Luther, JM (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM Joey.Luther@nrel.gov; Nikos.Kopidakis@nrel.gov FU U.S. Department of Energy (DOE) SunShot program [DE-EE0005312]; Solar Photochemistry Program of U.S. Department of Energy, Office of Science, Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences [DE-AC36-08GO28308] FX The work presented here is supported by the U.S. Department of Energy (DOE) SunShot program under Award No. DE-EE0005312. The time-resolved microwave conductivity experiment was developed and supported by the Solar Photochemistry Program of the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences, under Contract No. DE-AC36-08GO28308 to NREL. NR 39 TC 1 Z9 1 U1 14 U2 35 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 DEC 3 PY 2015 VL 6 IS 23 BP 4815 EP 4821 DI 10.1021/acs.jpclett.5b02252 PG 7 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Atomic, Molecular & Chemical SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CX9ET UT WOS:000366008500024 PM 26571095 ER PT J AU Wang, Z Kolesnikov, AI Ito, K Podlesnyak, A Chen, SH AF Wang, Zhe Kolesnikov, Alexander I. Ito, Kanae Podlesnyak, Andrey Chen, Sow-Hsin TI Pressure Effect on the Boson Peak in Deeply Cooled Confined Water: Evidence of a Liquid-Liquid Transition SO PHYSICAL REVIEW LETTERS LA English DT Article ID INELASTIC NEUTRON-SCATTERING; NANOPOROUS SILICA MATRIX; SUPERCOOLED WATER; AMORPHOUS ICE; GLASSY WATER; HEAVY-WATER; VIBRATIONAL-STATES; PHASE-SEPARATION; DENSITY; DYNAMICS AB The boson peak in deeply cooled water confined in nanopores is studied to examine the liquid-liquid transition (LLT). Below similar to 180 K, the boson peaks at pressures P higher than similar to 3.5 kbar are evidently distinct from those at low pressures by higher mean frequencies and lower heights. Moreover, the higher-P boson peaks can be rescaled to a master curve while the lower-P boson peaks can be rescaled to a different one. These phenomena agree with the existence of two liquid phases with different densities and local structures and the associated LLT in the measured (P, T) region. In addition, the P dependence of the librational band also agrees with the above conclusion. C1 [Wang, Zhe; Ito, Kanae; Chen, Sow-Hsin] MIT, Dept Nucl Sci & Engn, Cambridge, MA 02139 USA. [Kolesnikov, Alexander I.] Oak Ridge Natl Lab, Chem & Engn Mat Div, Oak Ridge, TN 37831 USA. [Podlesnyak, Andrey] Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA. RP Chen, SH (reprint author), MIT, Dept Nucl Sci & Engn, 77 Massachusetts Ave, Cambridge, MA 02139 USA. EM sowhsin@mit.edu RI Podlesnyak, Andrey/A-5593-2013; Instrument, CNCS/B-4599-2012; OI Podlesnyak, Andrey/0000-0001-9366-6319; Wang, Zhe/0000-0003-4103-0751 FU U.S. Department of Energy [DE-FG02-90ER45429]; Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy FX The research at MIT was supported by U.S. Department of Energy Grant No. DE-FG02-90ER45429. The work at ORNL was supported by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. Z. W. thanks Dr. K.-H. Liu, the VISION team, and the sample environment team at SNS, ORNL for their help and Dr. J.-L. Kuo for valuable discussions. NR 62 TC 4 Z9 4 U1 4 U2 25 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 DEC 3 PY 2015 VL 115 IS 23 AR 235701 DI 10.1103/PhysRevLett.115.235701 PG 6 WC Physics, Multidisciplinary SC Physics GA CX7KU UT WOS:000365881500003 PM 26684125 ER PT J AU Lin, KH Liao, BY Chang, HW Huang, SW Chang, TY Yang, CY Wang, YB Lin, YTK Wu, YW Tang, SL Yu, HT AF Lin, Kuei-Han Liao, Ben-Yang Chang, Hao-Wei Huang, Shiao-Wei Chang, Ting-Yan Yang, Cheng-Yu Wang, Yu-Bin Lin, Yu-Teh Kirk Wu, Yu-Wei Tang, Sen-Lin Yu, Hon-Tsen TI Metabolic characteristics of dominant microbes and key rare species from an acidic hot spring in Taiwan revealed by metagenomics SO BMC GENOMICS LA English DT Article ID TATUN-VOLCANO-GROUP; AUTOTROPHIC CARBON FIXATION; RIBOSOMAL-RNA GENE; SP-NOV; METALLOSPHAERA-SEDULA; COMMUNITY STRUCTURE; NORTHERN TAIWAN; ACIDITHIOBACILLUS-CALDUS; TETRATHIONATE HYDROLASE; HYDROTHERMAL SPRINGS AB Background: Microbial diversity and community structures in acidic hot springs have been characterized by 16S rRNA gene-based diversity surveys. However, our understanding regarding the interactions among microbes, or between microbes and environmental factors, remains limited. Results: In the present study, a metagenomic approach, followed by bioinformatics analyses, were used to predict interactions within the microbial ecosystem in Shi-Huang-Ping (SHP), an acidic hot spring in northern Taiwan. Characterizing environmental parameters and potential metabolic pathways highlighted the importance of carbon assimilatory pathways. Four distinct carbon assimilatory pathways were identified in five dominant genera of bacteria. Of those dominant carbon fixers, Hydrogenobaculum bacteria outcompeted other carbon assimilators and dominated the SHP, presumably due to their ability to metabolize hydrogen and to withstand an anaerobic environment with fluctuating temperatures. Furthermore, most dominant microbes were capable of metabolizing inorganic sulfur-related compounds (abundant in SHP). However, Acidithiobacillus ferrooxidans was the only species among key rare microbes with the capability to fix nitrogen, suggesting a key role in nitrogen cycling. In addition to potential metabolic interactions, based on the 16S rRNAs gene sequence of Nanoarchaeum-related and its potential host Ignicoccus-related archaea, as well as sequences of viruses and CRISPR arrays, we inferred that there were complex microbe-microbe interactions. Conclusions: Our study provided evidence that there were numerous microbe-microbe and microbe-environment interactions within the microbial community in an acidic hot spring. We proposed that Hydrogenobaculum bacteria were the dominant microbial genus, as they were able to metabolize hydrogen, assimilate carbon and live in an anaerobic environment with fluctuating temperatures. C1 [Lin, Kuei-Han; Chang, Hao-Wei; Huang, Shiao-Wei; Wang, Yu-Bin; Lin, Yu-Teh Kirk; Yu, Hon-Tsen] Natl Taiwan Univ, Dept Life Sci, Taipei 10617, Taiwan. [Liao, Ben-Yang; Chang, Ting-Yan] Natl Hlth Res Inst, Inst Populat Hlth Sci, Div Biostat & Bioinformat, Zhunan Town 35053, Miaoli County, Taiwan. [Chang, Hao-Wei] Washington Univ, Div Biol & Biomed Sci, Mol Microbiol & Microbial Pathogenesis Program, St Louis, MO 63130 USA. [Yang, Cheng-Yu; Tang, Sen-Lin] Acad Sinica, Biodivers Res Ctr, Taipei 11529, Taiwan. [Wang, Yu-Bin] Acad Sinica, Inst Informat Sci, Taipei 11529, Taiwan. [Lin, Yu-Teh Kirk] Natl Taiwan Univ, Inst Ecol & Evolutionary Biol, Taipei 10617, Taiwan. [Wu, Yu-Wei] Joint BioEnergy Inst, Emeryville, CA 94608 USA. [Wu, Yu-Wei] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Yu, Hon-Tsen] Natl Taiwan Univ, Degree Program Genome & Syst Biol, Taipei 10617, Taiwan. [Yu, Hon-Tsen] Acad Sinica, Taipei 10617, Taiwan. RP Tang, SL (reprint author), Acad Sinica, Biodivers Res Ctr, Taipei 11529, Taiwan. EM sltang@gate.sinica.edu.tw; ayu@ntu.edu.tw FU National Science Council of Taiwan, ROC [95-2627-M-002-004, 97-2627-M-002-001]; U. S. Department of Energy, Office of Science, Office of Biological and Environmental Research [DE-AC02-05CH11231] FX Hon-Tsen Yu received financial support from the National Science Council of Taiwan, ROC (95-2627-M-002-004 and 97-2627-M-002-001). Authors acknowledge advice from Li-Hung Lin and Hsiao-Pei Lu regarding sample collection and data analyses. This work was part of the DOE Joint BioEnergy Institute (http://www.jbei.org) supported by the U. S. Department of Energy, Office of Science, Office of Biological and Environmental Research, through contract DE-AC02-05CH11231 between Lawrence Berkeley National Laboratory and the U. S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. NR 71 TC 2 Z9 2 U1 3 U2 20 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1471-2164 J9 BMC GENOMICS JI BMC Genomics PD DEC 3 PY 2015 VL 16 AR 1029 DI 10.1186/s12864-015-2230-9 PG 16 WC Biotechnology & Applied Microbiology; Genetics & Heredity SC Biotechnology & Applied Microbiology; Genetics & Heredity GA CX6XF UT WOS:000365844300001 PM 26630941 ER PT J AU Quaglioni, S AF Quaglioni, Sofia TI NUCLEAR PHYSICS Close encounters of the alpha kind SO NATURE LA English DT Editorial Material ID CHIRAL LAGRANGIANS; FORCES C1 [Quaglioni, Sofia] Lawrence Livermore Natl Lab, Nucl & Chem Sci Div, Phys & Life Sci Directorate, Livermore, CA 94551 USA. RP Quaglioni, S (reprint author), Lawrence Livermore Natl Lab, Nucl & Chem Sci Div, Phys & Life Sci Directorate, Livermore, CA 94551 USA. EM quaglioni1@llnl.gov NR 12 TC 1 Z9 1 U1 1 U2 6 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 DEC 3 PY 2015 VL 528 IS 7580 BP 42 EP 43 PG 2 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CX3NO UT WOS:000365606000042 PM 26632583 ER PT J AU Tuttle, BR Alhassan, SM Pantelides, ST AF Tuttle, Blair R. Alhassan, Saeed M. Pantelides, Sokrates T. TI Large excitonic effects in group-IV sulfide monolayers SO PHYSICAL REVIEW B LA English DT Article ID TOTAL-ENERGY CALCULATIONS; AUGMENTED-WAVE METHOD; BASIS-SET; MOS2; GESE AB Large exciton binding energies are a distinguishing feature of two-dimensional semiconductors because of reduced screening, potentially leading to unique optoelectronic applications. Here we use electronic structure methods to calculate the properties of a two-dimensional material class: group-IV monosulfides including SiS, GeS, and SnS. Bulk SiS is predicted to be a metastable layered material. Quasiparticle excitations are calculated with the G(0)W(0) method and the Bethe-Salpeter equation is are used to include electron-hole interactions. For monolayers, strongly bound excitons are found below the quasiparticle absorption edge. The predicted excitonic binding energies are as high as 0.7 eV. Due to large excitonic effects, these group-IV sulfide monolayers have great potential for nanoscale optoelectronic applications. C1 [Tuttle, Blair R.; Pantelides, Sokrates T.] Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. [Tuttle, Blair R.] Penn State Behrend, Dept Phys, Erie, PA 16563 USA. [Alhassan, Saeed M.] Petr Inst, Dept Chem Engn, Abu Dhabi, U Arab Emirates. [Pantelides, Sokrates T.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Tuttle, BR (reprint author), Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. OI Alhassan, Saeed/0000-0002-5148-3255 FU Gas Subcommittee Research and Development under Abu Dhabi National Oil Company (ADNOC); McMinn Endowment at Vanderbilt University FX This work was supported in part by the Gas Subcommittee Research and Development under Abu Dhabi National Oil Company (ADNOC) and by the McMinn Endowment at Vanderbilt University. Calculations were performed in part on the Penn State Lion X supercomputers. NR 36 TC 4 Z9 4 U1 8 U2 43 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 DEC 3 PY 2015 VL 92 IS 23 AR 235405 DI 10.1103/PhysRevB.92.235405 PG 6 WC Physics, Condensed Matter SC Physics GA CX5YT UT WOS:000365779100002 ER PT J AU Wang, LL Johnson, DD Tringides, MC AF Wang, Lin-Lin Johnson, Duane D. Tringides, Michael C. TI C-60-induced Devil's Staircase transformation on a Pb/Si(111) wetting layer SO PHYSICAL REVIEW B LA English DT Article ID TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; ELECTRON-GAS; C-60 AB Density functional theory is used to study structural energetics of Pb vacancy cluster formation on C-60/Pb/Si(111) to explain the unusually fast and error-free transformations between the "Devil's Staircase" (DS) phases on the Pb/Si(111) wetting layer at low temperature (similar to 110 K). The formation energies of vacancy clusters are calculated in C-60/Pb/Si(111) as Pb atoms are progressively ejected from the initial dense Pb wetting layer. Vacancy clusters larger than five Pb atoms are found to be stable with seven being the most stable, while vacancy clusters smaller than five are highly unstable, which agrees well with the observed ejection rate of similar to 5 Pb atoms per C-60. The high energy cost (similar to 0.8 eV) for the small vacancy clusters to form indicates convincingly that the unusually fast transformation observed experimentally between the DS phases, upon C-60 adsorption at low temperature, cannot be the result of single-atom random walk diffusion but of correlated multi-atom processes. C1 [Wang, Lin-Lin; Johnson, Duane D.; Tringides, Michael C.] US DOE, Ames Lab, Ames, IA 50011 USA. [Johnson, Duane D.] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA. [Johnson, Duane D.; Tringides, Michael C.] Iowa State Univ, Dept Phys, Ames, IA 50011 USA. RP Wang, LL (reprint author), US DOE, Ames Lab, Ames, IA 50011 USA. OI Johnson, Duane/0000-0003-0794-7283 FU U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences, Materials Science and Engineering Division; Ames Laboratory's laboratory-directed research and development (LDRD) program; Iowa State University [DE-AC02-07CH11358] FX This work was supported by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences, Materials Science and Engineering Division, and by Ames Laboratory's laboratory-directed research and development (LDRD) program that partially funded L.L.W. Ames Laboratory is operated by Iowa State University under contract DE-AC02-07CH11358. NR 49 TC 0 Z9 0 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 DEC 3 PY 2015 VL 92 IS 24 AR 245405 DI 10.1103/PhysRevB.92.245405 PG 6 WC Physics, Condensed Matter SC Physics GA CX5YY UT WOS:000365779600007 ER PT J AU Pilania, G Gubernatis, JE Lookman, T AF Pilania, G. Gubernatis, J. E. Lookman, T. TI Classification of octet AB-type binary compounds using dynamical charges: A materials informatics perspective SO SCIENTIFIC REPORTS LA English DT Article ID FUNCTIONAL PERTURBATION-THEORY; CRYSTAL-STRUCTURE; STRUCTURE MAPS; POLARIZATION; SOLIDS; MODEL; IONICITY; VALENCE; SCALE; BOND AB The role of dynamical (or Born effective) charges in classification of octet AB-type binary compounds between four-fold (zincblende/wurtzite crystal structures) and six-fold (rocksalt crystal structure) coordinated systems is discussed. We show that the difference in the dynamical charges of the fourfold and sixfold coordinated structures, in combination with Harrison's polarity, serves as an excellent feature to classify the coordination of 82 sp-bonded binary octet compounds. We use a support vector machine classifier to estimate the average classification accuracy and the associated variance in our model where a decision boundary is learned in a supervised manner. Finally, we compare the out-of-sample classification accuracy achieved by our feature pair with those reported previously. C1 [Pilania, G.] Los Alamos Natl Lab, Mat Sci & Technol Div, Los Alamos, NM 87545 USA. [Gubernatis, J. E.; Lookman, T.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Pilania, G (reprint author), Los Alamos Natl Lab, Mat Sci & Technol Div, POB 1663, Los Alamos, NM 87545 USA. EM gpilania@lanl.gov RI Pilania, Ghanshyam/K-4468-2013 OI Pilania, Ghanshyam/0000-0003-4460-1572 FU Los Alamos National Laboratory (LANL) Directed Research and Development Program; US Department of Energy, Office of Science, Office of Basic Energy Sciences FX This work was supported by the Los Alamos National Laboratory (LANL) Directed Research and Development Program and the US Department of Energy, Office of Science, Office of Basic Energy Sciences. Discussions with Luca Ghiringhelli, Matthias Rupp, and Mathias Scheffler are gratefully acknowledged. NR 38 TC 3 Z9 3 U1 0 U2 7 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 DEC 3 PY 2015 VL 5 AR 17504 DI 10.1038/srep17504 PG 9 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CX4RZ UT WOS:000365689300001 PM 26631979 ER PT J AU Melhorn, AC Dimitrovski, A AF Melhorn, Alexander C. Dimitrovski, Aleksandar TI Three-phase probabilistic load flow in radial and meshed distribution networks SO IET GENERATION TRANSMISSION & DISTRIBUTION LA English DT Article DE load flow; demand side management; probability; wind turbines; higher order statistics; Monte Carlo methods; distributed power generation; three phase probabilistic load flow; meshed distribution network; radial distribution network; deterministic power system tool; demand response program; fundamental load flow analysis; discrete probability density function; nodal voltage; power flows; IEEE 13 node test feeder; radial configuration; modified mesh configuration; wind turbine; cumulants; Monte Carlo simulation; PLF method; stochastic problems; power distribution system AB With the introduction of higher levels of renewables and demand response programs, traditional deterministic power system tools fall short of expectations. Probabilistic load flow (PLF) takes into account the inconsistency or the unknown loads, and generation in the fundamental load flow analysis. This study proposes a PLF solution for both balanced and unbalanced, radial and weakly meshed networks without explicitly using the Y-bus matrix. It allows for discrete probability density functions as input variables without having to assume a predefined distribution. The nodal voltages and the power flows can be calculated independently from one another. The proposed method is applied to the IEEE 123 Node Test Feeder and the IEEE 13 Node Test Feeder in both its original radial configuration and a modified mesh configuration, including a load replaced with a wind turbine. The results are validated by comparison of the proposed method's solutions to those obtained using cumulants and Monte Carlo simulation. The proposed PLF method provides an accurate and practical way for finding the solution to stochastic problems occurring in power distribution systems allowing for real-system data to be analysed. C1 [Melhorn, Alexander C.] Univ Coll Dublin, Sch Elect Elect & Commun Engn, Elect Res Ctr, Dublin 2, Ireland. [Dimitrovski, Aleksandar] Oak Ridge Natl Lab, Elect & Elect Syst Res Div, Oak Ridge, TN USA. RP Melhorn, AC (reprint author), Univ Coll Dublin, Sch Elect Elect & Commun Engn, Elect Res Ctr, Dublin 2, Ireland. EM acmelhorn@gmail.com RI Dimitrovski, Aleksandar/G-5897-2016 OI Dimitrovski, Aleksandar/0000-0001-9109-621X FU Science Foundation Ireland [09/SRC/E1780]; U.S. Department of Energy [DE-AC0500OR22725] FX Alexander C. Melhorn was with the Electricity Research Centre, University College Dublin and was supported by the Science Foundation Ireland under grant no. 09/SRC/E1780.; Aleksandar Dimitrovski was with the Electrical and Electronics Systems Research Division, Oak Ridge National Laboratory and this research was supported by the U.S. Department of Energy under Contract No. DE-AC0500OR22725. NR 13 TC 3 Z9 3 U1 0 U2 4 PU INST ENGINEERING TECHNOLOGY-IET PI HERTFORD PA MICHAEL FARADAY HOUSE SIX HILLS WAY STEVENAGE, HERTFORD SG1 2AY, ENGLAND SN 1751-8687 EI 1751-8695 J9 IET GENER TRANSM DIS JI IET Gener. Transm. Distrib. PD DEC 3 PY 2015 VL 9 IS 16 BP 2743 EP 2750 DI 10.1049/iet-gtd.2015.0521 PG 8 WC Engineering, Electrical & Electronic SC Engineering GA CW9RC UT WOS:000365334900014 ER PT J AU Chang, C Tesar, C Li, XQ Kim, Y Rodionov, DA Joachimiak, A AF Chang, Changsoo Tesar, Christine Li, Xiaoqing Kim, Youngchang Rodionov, Dmitry A. Joachimiak, Andrzej TI A novel transcriptional regulator of L-arabinose utilization in human gut bacteria SO NUCLEIC ACIDS RESEARCH LA English DT Article ID DIMERIZATION DOMAIN; CRYSTAL-STRUCTURE; NAD METABOLISM; NUCLEIC-ACIDS; MODEL; PROTEIN; ARAC; HYDROLASE; SYSTEM; RECONSTRUCTION AB Carbohydrate metabolism plays a crucial role in the ecophysiology of human gut microbiota. Mechanisms of transcriptional regulation of sugar catabolism in commensal and prevalent human gut bacteria such as Bacteroides thetaiotaomicron remain mostly unknown. By a combination of bioinformatics and experimental approaches, we have identified an NrtR family transcription factor (BT0354 in B. thetaiotaomicron, BtAraR) as a novel regulator controlling the arabinose utilization genes. L-arabinose was confirmed to be a negative effector of BtAraR. We have solved the crystal structures of the apo and L-arabinose-bound BtAraR proteins, as well as the complex of apo-protein with a specific DNA operator. BtAraR forms a homodimer with each subunit comprised of the ligand-binding Nudix hydrolase-like domain and the DNA-binding winged-helix-turn-helix (wHTH) domain. We have identified the residues involved in binding of L-arabinose and recognition of DNA. The majority of these residues are well conserved in the AraR orthologs in Bacteroidetes. In the structure of the BtAraR-DNA complex, we found the unique interaction of arginine intercalating its guanidinum moiety into the base pair stacking of B-DNA. L-arabinose binding induces movement of wHTH domains, resulting in a conformation unsuitable for DNA binding. Our analysis facilitates reconstruction of the metabolic and regulatory networks involved in carbohydrate utilization in human gut Bacteroides. C1 [Chang, Changsoo; Tesar, Christine; Kim, Youngchang; Joachimiak, Andrzej] Argonne Natl Lab, Midwest Ctr Struct Genom, Argonne, IL 60439 USA. [Chang, Changsoo; Kim, Youngchang; Joachimiak, Andrzej] Argonne Natl Lab, Biosci Div, Struct Biol Ctr, Argonne, IL 60439 USA. [Li, Xiaoqing; Rodionov, Dmitry A.] Sanford Burnham Med Res Inst, La Jolla, CA 92037 USA. [Rodionov, Dmitry A.] Russian Acad Sci, AA Kharkevich Inst Informat Transmiss Problems, Moscow 127994, Russia. [Joachimiak, Andrzej] Univ Chicago, Dept Biochem & Mol Biol, Chicago, IL 60637 USA. RP Joachimiak, A (reprint author), Argonne Natl Lab, Midwest Ctr Struct Genom, Argonne, IL 60439 USA. EM andrzejj@anl.gov FU National Institutes of Health [GM094585]; US Department of Energy, Office of Biological and Environmental Research [DE-AC02-06CH11357]; Russian Science Foundation [14-14-00289]; US Department of Energy FX National Institutes of Health Grant [GM094585 to A.J.]; US Department of Energy, Office of Biological and Environmental Research [DE-AC02-06CH11357]; Russian Science Foundation [14-14-00289 to D.A.R.]. Funding for open access charge: US Department of Energy; National Institutes of Health. NR 46 TC 2 Z9 2 U1 3 U2 13 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0305-1048 EI 1362-4962 J9 NUCLEIC ACIDS RES JI Nucleic Acids Res. PD DEC 2 PY 2015 VL 43 IS 21 BP 10546 EP 10559 DI 10.1093/nar/gkv1005 PG 14 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA CY4WZ UT WOS:000366410900047 PM 26438537 ER PT J AU Yu, M Ji, LX Neumann, DA Chung, DH Groom, J Westpheling, J He, C Schmitz, RJ AF Yu, Miao Ji, Lexiang Neumann, Drexel A. Chung, Dae-hwan Groom, Joseph Westpheling, Janet He, Chuan Schmitz, Robert J. TI Base-resolution detection of N-4-methylcytosine in genomic DNA using 4mC-Tet-assisted-bisulfite-sequencing SO NUCLEIC ACIDS RESEARCH LA English DT Article ID SINGLE-MOLECULE; METHYLATION VARIANTS; CYTOSINE METHYLATION; 5-METHYLCYTOSINE; RESTRICTION; N4-METHYLCYTOSINE; 5-HYDROXYMETHYLCYTOSINE; 5-CARBOXYLCYTOSINE; ARABIDOPSIS; METHYLOMES AB Restriction-modification (R-M) systems pose a major barrier to DNA transformation and genetic engineering of bacterial species. Systematic identification of DNA methylation in R-M systems, including N-6-methyladenine (6mA), 5-methylcytosine (5mC) and N-4-methylcytosine (4mC), will enable strategies to make these species genetically tractable. Although single-molecule, real time (SMRT) sequencing technology is capable of detecting 4mC directly for any bacterial species regardless of whether an assembled genome exists or not, it is not as scalable to profiling hundreds to thousands of samples compared with the commonly used next-generation sequencing technologies. Here, we present 4mC-Tet- assisted bisulfite-sequencing (4mC-TAB-seq), a next-generation sequencing method that rapidly and cost efficiently reveals the genome-wide locations of 4mC for bacterial species with an available assembled reference genome. In 4mC-TAB-seq, both cytosines and 5mCs are read out as thymines, whereas only 4mCs are read out as cytosines, revealing their specific positions throughout the genome. We applied 4mC-TAB-seq to study the methylation of a member of the hyperthermophilc genus, Caldicelluiosiruptor, inwhich 4mC-related restriction is a major barrier to DNA transformation from other species. In combination with MethylC-seq, both 4mC- and 5mC-containing motifs are identified which can assist in rapid and efficient genetic engineering of these bacteria in the future. C1 [Yu, Miao; He, Chuan] Univ Chicago, Howard Hughes Med Inst, Dept Chem, Chicago, IL 60637 USA. [Yu, Miao; He, Chuan] Univ Chicago, Howard Hughes Med Inst, Inst Biophys Dynam, Chicago, IL 60637 USA. [Ji, Lexiang] Univ Georgia, Inst Bioinformat, Athens, GA 30602 USA. [Neumann, Drexel A.; Chung, Dae-hwan; Groom, Joseph; Westpheling, Janet; Schmitz, Robert J.] Univ Georgia, Dept Genet, Athens, GA 30602 USA. [Westpheling, Janet] USDA, BioEnergy Sci Ctr, Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Schmitz, RJ (reprint author), Univ Georgia, Dept Genet, Athens, GA 30602 USA. EM chuanhe@uchicago.edu; schmitz@uga.edu FU University of Georgia; National Institutes of Health [R01 HG006827]; BioEnergy Science Center, a U.S. Department of Energy Bioenergy Research Center - Office of Biological and Environmental Research in the DOE Office of Science FX University of Georgia [to R.J.S.]; National Institutes of Health [R01 HG006827 to C.H.]; The BioEnergy Science Center, a U.S. Department of Energy Bioenergy Research Center supported by the Office of Biological and Environmental Research in the DOE Office of Science [to JW]; and M.Y. is a Howard Hughes Medical Institute predoctoral fellow; C.H. is an investigator of the Howard Hughes Medical Institute. Funding for open access charge: University of Georgia [to R.J.S.] NR 31 TC 2 Z9 2 U1 8 U2 20 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0305-1048 EI 1362-4962 J9 NUCLEIC ACIDS RES JI Nucleic Acids Res. PD DEC 2 PY 2015 VL 43 IS 21 AR e148 DI 10.1093/nar/gkv738 PG 10 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA CY4WZ UT WOS:000366410900011 PM 26184871 ER PT J AU Liang, WI Zhang, XW Zan, YL Pan, M Czarnik, C Bustillo, K Xu, J Chu, YH Zheng, HM AF Liang, Wen-I Zhang, Xiaowei Zan, Yunlong Pan, Ming Czarnik, Cory Bustillo, Karen Xu, Jun Chu, Ying-Hao Zheng, Haimei TI In Situ Study of Fe3Pt-Fe2O3 Core-Shell Nanoparticle Formation SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID ONE-POT SYNTHESIS; FEPT NANOPARTICLES; MAGNETIC NANOPARTICLES; IRON-OXIDE; REDUCTION; GROWTH; NANOCRYSTALS; EVOLUTION; KINETICS; AU AB We report an in situ study of Fe3Pt-Fe2O3 coreshell nanoparticle growth using liquid cell transmission electron microscopy. By controlling the Fe-to-Pt ratio in the precursor solution, we achieved the growth of nanoparticles with the formation of an ironplatinum alloy core followed by an iron oxide shell in the electron beam-induced reactions. There was no substantial change in the growth kinetics of the iron oxide shell after the FePt alloy core stopped growing. The core growth was arrested by depletion of the Pt precursor. Heteroepitaxy of Fe3Pt [101] (core)||alpha-Fe2O3 [111] (shell) was observed in most of the nanoparticles, while a polycrystalline iron oxide shell is developed eventually for strain relaxation. Our studies suggest that Pt atoms catalyze the reduction of Fe ions to form the Fe3Pt alloy core, and when Pt is depleted, a direct precipitation of iron oxide results in the core-shell nanostructure formation. C1 [Liang, Wen-I; Chu, Ying-Hao] Natl Chiao Tung Univ, Dept Mat Sci & Engn, Hsinchu 300, Taiwan. [Liang, Wen-I; Zhang, Xiaowei; Zheng, Haimei] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Zhang, Xiaowei; Xu, Jun] Nanjing Univ, Sch Elect Sci & Engn, Natl Lab Solid State Microstruct, Nanjing 210093, Jiangsu, Peoples R China. [Zhang, Xiaowei; Xu, Jun] Nanjing Univ, Collaborat Innovat Ctr Adv Microstruct, Nanjing 210093, Jiangsu, Peoples R China. [Zan, Yunlong] Shanghai Jiao Tong Univ, Sch Biomed Engn, Shanghai 200030, Peoples R China. [Pan, Ming; Czarnik, Cory] Gatan Inc, Pleasanton, CA 94588 USA. [Bustillo, Karen] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. [Chu, Ying-Hao] Acad Sinica, Inst Phys, Taipei 105, Taiwan. [Zheng, Haimei] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. RP Chu, YH (reprint author), Natl Chiao Tung Univ, Dept Mat Sci & Engn, Hsinchu 300, Taiwan. EM yhc@nctu.edu.tw; hmzheng@lbl.gov RI Ying-Hao, Chu/A-4204-2008 OI Ying-Hao, Chu/0000-0002-3435-9084 FU Office of Science, Office of Basic Energy Sciences, U.S. Department of Energy (DOE) [DE-AC02-05CH11231]; Ministry of Science and Technology (MOST) in Taiwan [NSC 102-2119-I-009-502]; National Basic Research Program of China [2013CB632101]; China Scholarship Council [201406190080, 201406230186]; U.S. DOE Office of Science Early Career Research Program FX We acknowledge the facility support of the Molecular Foundry, which was supported by the Office of Science, Office of Basic Energy Sciences, U.S. Department of Energy (DOE), under Contract No. DE-AC02-05CH11231. W.I.L. and Y.H.C. acknowledge funding support from the Ministry of Science and Technology (MOST) in Taiwan (NSC 102-2119-I-009-502). J.X. and X.Z. acknowledge support from the National Basic Research Program of China (2013CB632101) and China Scholarship Council (201406190080). Y.Z. acknowledges support from the China Scholarship Council (201406230186). This project was supported by U.S. DOE Office of Science Early Career Research Program. NR 31 TC 2 Z9 3 U1 21 U2 83 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD DEC 2 PY 2015 VL 137 IS 47 BP 14850 EP 14853 DI 10.1021/jacs.5610076 PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA CX8CQ UT WOS:000365930600006 PM 26566690 ER PT J AU Huynh, M Shi, CY Billinge, SJL Nocera, DG AF Huynh, Michael Shi, Chenyang Billinge, Simon J. L. Nocera, Daniel G. TI Nature of Activated Manganese Oxide for Oxygen Evolution SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID PAIR DISTRIBUTION FUNCTION; ELECTROCHEMICAL WATER OXIDATION; RAY PHOTOELECTRON-SPECTROSCOPY; EVOLVING CATALYST; CATHODIC ELECTRODEPOSITION; THIN-FILM; MNO2 NANOSTRUCTURES; SOLAR-ENERGY; IN-SITU; ELECTROCATALYTIC PROPERTIES AB Electrodeposited manganese oxide films (MnOx) are promising stable oxygen evolution catalysts. They are able to catalyze the oxygen evolution reaction in acidic solutions but with only modest activity when prepared by constant anodic potential deposition. We now show that the performance of these catalysts is improved when they are "activated" by potential cycling protocols, as measured by Tafel analysis (where lower slope is better): upon activation the Tafel slope decreases from similar to 120 to similar to 70 mV/decade in neutral conditions and from similar to 650 to similar to 90 mV/decade in acidic solutions. Electrochemical, spectroscopic, and structural methods were employed to study the activation process and support a mechanism where the original bimessite-like MnOx (delta-MnO2) undergoes a phase change, induced by comproportionation with cathodically generated Mn(OH)2, to a hausmannite-like intermediate (alpha-Mn3O4). Subsequent anodic conditioning from voltage cycling or water oxidation produces a disordered birnessite-like phase, which is highly active for oxygen evolution. At pH 2.5, the current density of activated MnOx (at an overpotential of 600 mV) is 2 orders of magnitude higher than that of the original MnOx and begins to approach that of Ru and Ir oxides in acid. C1 [Huynh, Michael; Nocera, Daniel G.] Harvard Univ, Dept Chem & Chem Biol, Cambridge, MA 02138 USA. [Shi, Chenyang; Billinge, Simon J. L.] Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA. [Billinge, Simon J. L.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. RP Nocera, DG (reprint author), Harvard Univ, Dept Chem & Chem Biol, Cambridge, MA 02138 USA. EM dnocera@fas.harvard.edu RI shi, chenyang/A-9119-2014 FU U.S. Department of Energy Office of Science, Office of Basic Energy Sciences [DE-SC0009565]; National Science Foundation [ECS-0335765]; Columbia University Energy Frontier Research Center - U.S. Department of Energy, Basic Energy Sciences [DE-SC0001085]; U.S. Department of Energy Office of Science, Office of Basic Energy Sciences Energy Frontier Research Center, Center for Next Generation of Materials by Design [DE-AC36-086028308]; U.S. Department of Energy, Basic Energy Sciences (DOE-BES) [DE-AC02-98CH10886] FX We thank Shao-Liang Zheng and Miller Li for assistance in powder X-ray diffraction, Thomas J. Kempa for help with TEM imaging, and D. Kwabena Bediako, Andrew M. Ullman, and Chong Liu for helpful discussions. This material is based upon work supported by the U.S. Department of Energy Office of Science, Office of Basic Energy Sciences under Award number DE-SC0009565 (D.G.N.). SEM, TEM, and XPS were performed at Harvard University's Center for Nanoscale Systems (CNS), a member of the National Nanotechnology Infrastructure Network (NNIN), which is supported by the National Science Foundation under ECS-0335765. X-ray PDF studies were supported by the Columbia University Energy Frontier Research Center funded by the U.S. Department of Energy, Basic Energy Sciences, under Grant no. DE-SC0001085 (S.J.L.B.) and the U.S. Department of Energy Office of Science, Office of Basic Energy Sciences Energy Frontier Research Center, Center for Next Generation of Materials by Design, Award number DE-AC36-086028308 (D.G.N.). NSLS is supported by the U.S. Department of Energy, Basic Energy Sciences (DOE-BES) under grant DE-AC02-98CH10886. NR 149 TC 33 Z9 33 U1 48 U2 192 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD DEC 2 PY 2015 VL 137 IS 47 BP 14887 EP 14904 DI 10.1021/jacs.5b06382 PG 18 WC Chemistry, Multidisciplinary SC Chemistry GA CX8CQ UT WOS:000365930600014 PM 26574923 ER PT J AU Wang, X Vara, M Luo, M Huang, HW Ruditskiy, A Park, J Bao, SX Liu, JY Howe, J Chi, MF Xie, ZX Xia, YN AF Wang, Xue Vara, Madeline Luo, Ming Huang, Hongwen Ruditskiy, Aleksey Park, Jinho Bao, Shixiong Liu, Jingyue Howe, Jane Chi, Miaofang Xie, Zhaoxiong Xia, Younan TI Pd@Pt Core-Shell Concave Decahedra: A Class of Catalysts for the Oxygen Reduction Reaction with Enhanced Activity and Durability SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID PLATINUM-MONOLAYER ELECTROCATALYSTS; BY-LAYER DEPOSITION; HIGH-INDEX FACETS; SURFACE-ENERGY; NANOCRYSTALS; SHAPE; ICOSAHEDRA; STRAIN; ALLOY; NANOPARTICLES AB We report a facile synthesis of multiply twinned Pd@Pt core shell concave decahedra by controlling the deposition of Pt on preformed Pd decahedral seeds. The Pt atoms are initially deposited on the vertices of a decahedral seed, followed by surface diffusion to other regions along the edges/ridges and then across the faces. Different from the coating of a Pd icosahedral seed, the Pt atoms prefer to stay at the vertices and edges/ridges of a decahedral seed even when the deposition is conducted at 200 degrees C, naturally generating a core shell structure covered by concave facets. The nonuniformity in the Pt coating can be attributed to the presence of twin boundaries at the vertices, as well as the {100} facets and twin defects along the edges/ridges of a decahedron, effectively trapping the Pt adatoms at these high-energy sites. As compared to a commercial Pt/C catalyst, the Pd@Pt concave decahedra show substantial enhancement in both catalytic activity and durability toward the oxygen reduction reaction (ORR). For the concave decahedra with 29.6% Pt by weight, their specific (1.66 mA/cm(pt)(2)) and mass (1.60 A/mg/0 ORR activities are enhanced by 4.4 and 6.6 times relative to those of the Pt/C catalyst (0.36 mA/cm(pt)(2) and 0.32 A/mgpt, respectively). After 10 000 cycles of accelerated durability test, the concave decahedra still exhibit a mass activity of 0.69 A/mgpt, more than twice that of the pristine Pt/C catalyst. C1 [Wang, Xue; Luo, Ming; Huang, Hongwen; Bao, Shixiong; Xia, Younan] Georgia Inst Technol, Wallace H Coulter Dept Biomed Engn, Atlanta, GA 30332 USA. [Wang, Xue; Luo, Ming; Huang, Hongwen; Bao, Shixiong; Xia, Younan] Emory Univ, Atlanta, GA 30332 USA. [Wang, Xue; Bao, Shixiong; Xie, Zhaoxiong] Xiamen Univ, Collaborat Innovat Ctr Chem Energy Mat, State Key Lab Phys Chem Solid Surfaces, Xiamen 361005, Fujian, Peoples R China. [Wang, Xue; Bao, Shixiong; Xie, Zhaoxiong] Xiamen Univ, Dept Chem, Xiamen 361005, Fujian, Peoples R China. [Vara, Madeline; Ruditskiy, Aleksey; Park, Jinho; Xia, Younan] Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA. [Liu, Jingyue] Arizona State Univ, Dept Phys, Tempe, AZ 85287 USA. [Howe, Jane] Hitachi High Technol Canada, Toronto, ON M9W 6A4, Canada. [Chi, Miaofang] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Xia, YN (reprint author), Georgia Inst Technol, Wallace H Coulter Dept Biomed Engn, Atlanta, GA 30332 USA. EM younan.xia@bme.gatech.edu RI Xia, Younan/E-8499-2011; Chi, Miaofang/Q-2489-2015; Wang, Xue/D-4488-2012; Howe, Jane/G-2890-2011; Xie, Zhaoxiong/G-3416-2010 OI Chi, Miaofang/0000-0003-0764-1567; Wang, Xue/0000-0002-6298-1858; FU Georgia Institute of Technology; NSF [CHE 1505441]; China Scholarship Council; ORNL's Center for Nanophase Materials Sciences; Arizona State University FX This work was supported in part by start-up funds from the Georgia Institute of Technology and a grant from the NSF (CHE 1505441). As visiting Ph.D. students, X.W., M.L., H.H, and S.B. also received partial support from the China Scholarship Council. High-resolution imaging and tomography electron microscopy were performed through a user project supported by the ORNL's Center for Nanophase Materials Sciences, which is a U.S. DOE Office of Science User Facility (M.C.). J.L. acknowledges the support by Arizona State University and the use of facilities in the John M. Cowley Center for High Resolution Electron Microscopy at Arizona State University. NR 34 TC 45 Z9 45 U1 57 U2 296 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD DEC 2 PY 2015 VL 137 IS 47 BP 15036 EP 15042 DI 10.1021/jacs.5b10059 PG 7 WC Chemistry, Multidisciplinary SC Chemistry GA CX8CQ UT WOS:000365930600029 PM 26566188 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 Besancon, 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 Cuth, J 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, A 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 Grunendahl, 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 Heredia-De La Cruz, I 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 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 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 Schott, M 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. Besancon, 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. Cuth, J. 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, A. 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. Gruenendahl, 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. Heredia-De La Cruz, I. 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. 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. 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. Schott, M. 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 D0 Collaboration TI Inclusive Production of the X(4140) State in p(p)over-bar Collisions at D0 SO PHYSICAL REVIEW LETTERS LA English DT Article ID DETECTOR AB We present a study of the inclusive production of the X(4140) state with the decay to the J/psi phi final state in hadronic collisions. Based on 10.4 fb(-1) of p (p) over bar collision data collected by the D0 experiment at the Fermilab Tevatron collider, we report the first evidence for the prompt production of an X(4140) state and find the fraction of X(4140) events originating from b hadrons to be f(b) = 0.39 +/- 0.07 (stat) +/- 0.10 (syst). The ratio of the nonprompt X(4140) production rate to the B-s(0) yield in the same channel is R = 0.19 +/- 0.05 (stat) +/- 0.07 (syst). The values of the mass M = 4152.5 +/- 1.7 (stat)(-5.4)(+/- 6.2)(syst) MeV and width Gamma = 16.3 +/- 5.6 (stat) +/- 11.4 (syst) MeV are consistent with previous measurements. 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, Rio De Janeiro, Brazil. [Mercadante, P. G.] Univ Fed ABC, Santo Andre, Brazil. [Han, L.; Jiang, P.; Liu, Y.; Yang, S.] Univ Sci & Technol China, Hefei, 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.; Royon, C.] Acad Sci Czech Republic, Inst Phys, Prague, Czech Republic. [Hoeneisen, B.] Univ San Francisco Quito, Quito, Ecuador. [Badaud, F.; Gris, Ph.] Univ Clermont Ferrand, LPC, CNRS IN2P3, Clermont, France. [Sajot, G.; Stark, J.] Univ Grenoble 1, LPSC, 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, CNRS IN2P3, Marseille, France. [Grivaz, J. -F.; Guillemin, T.; Jaffre, M.; Petroff, P.] Univ Paris 11, LAL, CNRS IN2P3, 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 06, CNRS IN2P3, Paris, France. [Bassler, U.; Besancon, M.; Chapon, E.; Couderc, F.; Deliot, F.; Faure, A.; Grohsjean, A.; Hubacek, Z.; Shary, V.; Titov, M.; Tuchming, B.; Vilanova, D.] CEA, Irfu, SPP, Saclay, France. [Greder, S.; Miconi, F.; Ripp-Baudot, I.] Univ Strasbourg, IPHC, CNRS IN2P3, Strasbourg, France. [Grenier, G.; Kurca, T.; Lebrun, P.] Univ Lyon 1, IPNL, CNRS IN2P3, F-69622 Villeurbanne, France. [Grenier, G.; Kurca, T.; Lebrun, P.] Univ Lyon, Lyon, France. [Hebbeker, T.; Meyer, A.; Sonnenschein, L.] Rhein Westfal TH Aachen, Phys Inst A 3, Aachen, Germany. [Bernhard, R.; Madar, R.] Univ Freiburg, Phys Inst, D-79106 Freiburg, Germany. [Brandt, O.; Mansour, J.; Meyer, J.; Quadt, A.; Shabalina, E.] Univ Gottingen, Phys Inst 2, D-37073 Gottingen, Germany. [Buescher, V.; Cuth, J.; Fiedler, F.; Hohlfeld, M.; Schott, M.; Weichert, J.] Johannes Gutenberg Univ Mainz, Inst Phys, 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.] Tata Inst Fundamental Res, Bombay 400005, 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.; Heredia-De La Cruz, I.; 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, NL-6525 ED 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 Inst Nucl Res, Dubna, 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.; Penning, B.; Scanlon, T.] Imperial Coll London, London SW7 2AZ, England. [Agnew, J. P.; Deterre, C.; Ding, P. F.; Harder, K.; Head, T.; Hesketh, G.; McGivern, C. L.; Peters, Y.; Petridis, K.; Price, D.; 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.; Gruenendahl, 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.; 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.; Evdokimov, A.; 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.] Northern 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.; 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, Langston, 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. [Schellman, H.] Oregon State Univ, Corvallis, OR 97331 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.] Southern 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 Inst Nucl Res, Dubna, Russia. RI Merkin, Mikhail/D-6809-2012; Dudko, Lev/D-7127-2012; Gutierrez, Phillip/C-1161-2011; Li, Liang/O-1107-2015 OI Dudko, Lev/0000-0002-4462-3192; Li, Liang/0000-0001-6411-6107 FU Department of Energy (U.S.); National Science Foundation (U.S.); Alternative Energies and Atomic Energy Commission (France); National Center for Scientific Research/National Institute of Nuclear and Particle Physics (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); Carlos Chagas Filho Foundation for the Support of Research in the State of Rio de Janeiro (Brazil); Department of Atomic Energy (India); 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 (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 (the Federal Ministry of Education and Research) (Germany); Deutsche Forschungsgemeinschaft (the German Research Foundation) (Germany); Science Foundation Ireland (Ireland); Swedish Research Council (Sweden); China Academy of Sciences (China); National Natural Science Foundation of China (China); Ministry of Education and Science of Ukraine (Ukraine) FX We thank the staffs at Fermilab and collaborating institutions, and we acknowledge support from the Department of Energy and the National Science Foundation (U.S.); the Alternative Energies and Atomic Energy Commission and the National Center for Scientific Research/National Institute of Nuclear and Particle Physics (France); the Ministry of Education and Science of the Russian Federation, the National Research Center "Kurchatov Institute" of the Russian Federation, and the Russian Foundation for Basic Research (Russia); the National Council for the Development of Science and Technology and the Carlos Chagas Filho Foundation for the Support of Research in the State of Rio de Janeiro (Brazil); the Department of Atomic Energy and the Department of Science and Technology (India); the Administrative Department of Science, Technology and Innovation (Colombia); the National Council of Science and Technology (Mexico); the National Research Foundation of Korea (Korea); the Foundation for Fundamental Research on Matter (Netherlands); the Science and Technology Facilities Council and The Royal Society (United Kingdom); the Ministry of Education, Youth and Sports (Czech Republic); Bundesministerium fur Bildung und Forschung (the Federal Ministry of Education and Research) and Deutsche Forschungsgemeinschaft (the German Research Foundation) (Germany); Science Foundation Ireland (Ireland); the Swedish Research Council (Sweden); China Academy of Sciences and the National Natural Science Foundation of China (China); and the Ministry of Education and Science of Ukraine (Ukraine). NR 15 TC 10 Z9 10 U1 1 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 DEC 2 PY 2015 VL 115 IS 23 AR 232001 DI 10.1103/PhysRevLett.115.232001 PG 8 WC Physics, Multidisciplinary SC Physics GA CX7KQ UT WOS:000365881100005 PM 26684112 ER PT J AU Kharzeev, DE Pisarski, RD Yee, HU AF Kharzeev, Dmitri E. Pisarski, Robert D. Yee, Ho-Ung TI Universality of Plasmon Excitations in Dirac Semimetals SO PHYSICAL REVIEW LETTERS LA English DT Article ID HOT GAUGE-THEORIES; CD3AS2; AMPLITUDES; MOBILITY AB We investigate the properties of the collective plasmon excitations in Dirac semimetals by using the methods of relativistic field theory. We find a strong and narrow plasmon excitation whose frequency is in the terahertz (THz) range which may be important for practical applications. The properties of the plasmon appear universal for all Dirac semimetals, due to the large degeneracy of the quasiparticles and the small Fermi velocity, nu(F) << c. This universality is closely analogous to the phenomenon of "dimensional transmutation" that is responsible for the emergence of dimensionful scales in relativistic field theories such as quantum chromodynamics. C1 [Kharzeev, Dmitri E.] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. [Kharzeev, Dmitri E.; Pisarski, Robert D.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. [Pisarski, Robert D.; Yee, Ho-Ung] Brookhaven Natl Lab, RIKEN BNL Res Ctr, Upton, NY 11973 USA. [Yee, Ho-Ung] Univ Illinois, Dept Phys, Chicago, IL 60607 USA. RP Kharzeev, DE (reprint author), SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. FU U.S. Department of Energy [DE-FG- 88ER40388, DE-AC02-98CH10886] FX We thank D. Son and M. Stephanov for discussions. This work was supported in part by the U.S. Department of Energy under Contracts No. DE-FG- 88ER40388 and No. DE-AC02-98CH10886. NR 20 TC 3 Z9 3 U1 2 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 DEC 2 PY 2015 VL 115 IS 23 AR 236402 DI 10.1103/PhysRevLett.115.236402 PG 5 WC Physics, Multidisciplinary SC Physics GA CX7KQ UT WOS:000365881100011 PM 26684129 ER PT J AU Lv, YF Wang, WL Peng, JP Ding, H Wang, Y Wang, LL He, K Ji, SH Zhong, RD Schneeloch, J Gu, GD Song, CL Ma, XC Xue, QK AF Lv, Yan-Feng Wang, Wen-Lin Peng, Jun-Ping Ding, Hao Wang, Yang Wang, Lili He, Ke Ji, Shuai-Hua Zhong, Ruidan Schneeloch, John Gu, Gen-Da Song, Can-Li Ma, Xu-Cun Xue, Qi-Kun TI Mapping the Electronic Structure of Each Ingredient Oxide Layer of High-T-c Cuprate Superconductor Bi2Sr2CaCu2O8+delta SO PHYSICAL REVIEW LETTERS LA English DT Article ID HIGH-TEMPERATURE SUPERCONDUCTIVITY; TUNNELING SPECTROSCOPY; SURFACE; FILMS; GAPS AB Understanding the mechanism of high transition temperature (T-c) superconductivity in cuprates has been hindered by the apparent complexity of their multilayered crystal structure. Using a cryogenic scanning tunneling microscopy (STM), we report on layer-by-layer probing of the electronic structures of all ingredient planes (BiO, SrO, CuO2) of Bi2Sr2CaCu2O8+delta superconductor prepared by argon-ion bombardment and annealing technique. We show that the well-known pseudogap (PG) feature observed by STM is inherently a property of the BiO planes and thus irrelevant directly to Cooper pairing. The SrO planes exhibit an unexpected van Hove singularity near the Fermi level, while the CuO2 planes are exclusively characterized by a smaller gap inside the PG. The small gap becomes invisible near T-c, which we identify as the superconducting gap. The above results constitute severe constraints on any microscopic model for high T-c superconductivity in cuprates. C1 [Lv, Yan-Feng; Wang, Wen-Lin; Peng, Jun-Ping; Ding, Hao; Wang, Yang; Wang, Lili; He, Ke; Ji, Shuai-Hua; Song, Can-Li; Ma, Xu-Cun; Xue, Qi-Kun] Tsinghua Univ, Dept Phys, State Key Lab Low Dimens Quantum Phys, Beijing 100084, Peoples R China. [Wang, Lili; He, Ke; Ji, Shuai-Hua; Song, Can-Li; Ma, Xu-Cun; Xue, Qi-Kun] Collaborat Innovat Ctr Quantum Matter, Beijing 100084, Peoples R China. [Zhong, Ruidan; Schneeloch, John; Gu, Gen-Da] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. RP Lv, YF (reprint author), Tsinghua Univ, Dept Phys, State Key Lab Low Dimens Quantum Phys, Beijing 100084, Peoples R China. EM clsong07@mail.tsinghua.edu.cn; xucunma@mail.tsinghua.edu.cn; qkxue@mail.tsinghua.edu.cn RI Zhong, Ruidan/D-5296-2013; Ding, Hao/H-8401-2013; Ji, Shuaihua/F-1743-2014 OI Zhong, Ruidan/0000-0003-1652-9454; Ding, Hao/0000-0001-9635-3940; FU National Science Foundation; Ministry of Science and Technology of China; Office of Basic Energy Sciences (BES), Division of Materials Sciences and Engineering, U.S. Department of Energy (DOE) [DE-SC00112704] FX This work was financially supported by National Science Foundation and Ministry of Science and Technology of China. Work at Brookhaven was supported by the Office of Basic Energy Sciences (BES), Division of Materials Sciences and Engineering, U.S. Department of Energy (DOE), through Contract No. DE-SC00112704. NR 31 TC 5 Z9 5 U1 14 U2 59 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 DEC 2 PY 2015 VL 115 IS 23 AR 237002 DI 10.1103/PhysRevLett.115.237002 PG 5 WC Physics, Multidisciplinary SC Physics GA CX7KQ UT WOS:000365881100015 PM 26684137 ER PT J AU Burnet, MC Dohnalkova, AC Neumann, AP Lipton, MS Smith, RD Suen, G Callister, SJ AF Burnet, Meagan C. Dohnalkova, Alice C. Neumann, Anthony P. Lipton, Mary S. Smith, Richard D. Suen, Garret Callister, Stephen J. TI Evaluating Models of Cellulose Degradation by Fibrobacter succinogenes S85 SO PLOS ONE LA English DT Article ID BACTERIUM BACTEROIDES-SUCCINOGENES; RUMINOCOCCUS-ALBUS; RUMEN BACTERIA; ADHESION; MEMBRANE; PROTEINS; IDENTIFICATION; COMMUNITY; PROTEOME; CULTURES AB Fibrobacter succinogenes S85 is an anaerobic non-cellulosome utilizing cellulolytic bacterium originally isolated from the cow rumen microbial community. Efforts to elucidate its cellulolytic machinery have resulted in the proposal of numerous models which involve cell-surface attachment via a combination of cellulose-binding fibro-slime proteins and pili, the production of cellulolytic vesicles, and the entry of cellulose fibers into the periplasmic space. Here, we used a combination of RNA-sequencing, proteomics, and transmission electron microscopy (TEM) to further clarify the cellulolytic mechanism of F. succinogenes. Our RNA-sequence analysis shows that genes encoding type II and III secretion systems, fibro-slime proteins, and pili are differentially expressed on cellulose, relative to glucose. A subcellular fractionation of cells grown on cellulose revealed that carbohydrate active enzymes associated with cellulose deconstruction and fibro-slime proteins were greater in the extracellular medium, as compared to the periplasm and outer membrane fractions. TEMs of samples harvested at mid-exponential and stationary phases of growth on cellulose and glucose showed the presence of grooves in the cellulose between the bacterial cells and substrate, suggesting enzymes work extracellularly for cellulose degradation. Membrane vesicles were only observed in stationary phase cultures grown on cellulose. These results provide evidence that F. succinogenes attaches to cellulose fibers using fibro-slime and pili, produces cellulases, such as endoglucanases, that are secreted extracellularly using type II and III secretion systems, and degrades the cellulose into cellodextrins that are then imported back into the periplasm for further digestion by beta-glucanases and other cellulases. C1 [Burnet, Meagan C.; Lipton, Mary S.; Smith, Richard D.; Callister, Stephen J.] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. [Dohnalkova, Alice C.] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. [Neumann, Anthony P.; Suen, Garret] Univ Wisconsin, Dept Bacteriol, Madison, WI 53706 USA. RP Suen, G (reprint author), Univ Wisconsin, Dept Bacteriol, Madison, WI 53706 USA. EM gsuen@wisc.edu; stephen.callister@pnl.gov RI Smith, Richard/J-3664-2012 OI Smith, Richard/0000-0002-2381-2349 FU Department of Energy's (DOE) Office of Biological and Environmental Research (OBER) Pan-omics program; DOE [DE-AC05-76RL01830]; DOE Early Career Research Program Award [DE-SC0008104]; National Institute of Allergy and Infectious Diseases of the National Institutes of Health [T32AI55397] FX A portion of this research was funded by the Department of Energy's (DOE) Office of Biological and Environmental Research (OBER) Pan-omics program and performed in the Environmental Molecular Sciences Laboratory at Pacific Northwest National Laboratory (PNNL). The Environmental Molecular Sciences Laboratory is a U.S. Department of Energy (DOE) Office of Biological and Environmental Research national scientific user facility on the PNNL campus. PNNL is a multiprogram national laboratory operated by Battelle for the DOE under contract DE-AC05-76RL01830. This work was also supported by a DOE Early Career Research Program Award DE-SC0008104 to Garret Suen. Anthony P. Neumann was supported in part by a traineeship from the National Institute of Allergy and Infectious Diseases of the National Institutes of Health under Award Number T32AI55397. NR 31 TC 2 Z9 2 U1 13 U2 30 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 DEC 2 PY 2015 VL 10 IS 12 AR e0143809 DI 10.1371/journal.pone.0143809 PG 19 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CX8BI UT WOS:000365926300103 PM 26629814 ER PT J AU Gong, C Ruzmetov, D Pearse, A Ma, DK Munday, JN Rubloff, G Talin, AA Leite, MS AF Gong, Chen Ruzmetov, Dmitry Pearse, Alexander Ma, Dakang Munday, Jeremy N. Rubloff, Gary Talin, A. Alec Leite, Marina S. TI Surface/Interface Effects on High-Performance Thin-Film All-Solid-State Li-Ion Batteries SO ACS APPLIED MATERIALS & INTERFACES LA English DT Article DE energy storage; all-solid-state batteries; thin-films; aluminum; silicon ID TRANSMISSION ELECTRON-MICROSCOPY; ELECTROCHEMICAL PERFORMANCE; LITHIUM BATTERIES; ANODES; SILICON; LITHIATION; STABILITY; OXIDATION; ALUMINUM; CARBON AB The further development of all-solid-state batteries is still limited by the understanding/engineering of the interfaces formed upon cycling. Here, we correlate the morphological, chemical, and electrical changes of the surface of thin-film devices with Al negative electrodes. The stable Al-Li-O alloy formed at the stress-free surface of the electrode causes rapid capacity fade, from 48.0 to 41.5 mu Ah/cm(2) in two cycles. Surprisingly, the addition of a Cu capping layer is insufficient to prevent the device degradation. Nevertheless, Si electrodes present extremely stable cycling, maintaining >92% of its capacity after 100 cycles, with average Coulombic efficiency of 98%. C1 [Gong, Chen; Leite, Marina S.] Univ Maryland, Dept Mat Sci & Engn, College Pk, MD 20742 USA. [Gong, Chen; Pearse, Alexander; Ma, Dakang; Munday, Jeremy N.; Rubloff, Gary; Leite, Marina S.] Univ Maryland, Inst Res Elect & Appl Phys, College Pk, MD 20742 USA. [Ma, Dakang; Munday, Jeremy N.] Univ Maryland, Dept Elect & Comp Engn, College Pk, MD 20742 USA. [Rubloff, Gary] Univ Maryland, Syst Res Inst, College Pk, MD 20742 USA. [Ruzmetov, Dmitry] US Army Res Lab, Sensors & Electron Devices Directorate, Adelphi, MD 20783 USA. [Ruzmetov, Dmitry] NIST, Mat Measurement Lab, Gaithersburg, MD 20899 USA. [Talin, A. Alec] Sandia Natl Labs, Livermore, CA 94550 USA. RP Leite, MS (reprint author), Univ Maryland, Dept Mat Sci & Engn, College Pk, MD 20742 USA. EM aatalin@sandia.gov; mleite@umd.edu RI Munday, Jeremy/E-6512-2016; Gong, Chen/R-9309-2016; Pearse, Alexander/B-2792-2017 OI Munday, Jeremy/0000-0002-0881-9876; Gong, Chen/0000-0003-3302-7675; FU School of Engineering at the University of Maryland; Minta Martin Award; Laboratory Directed Research and Development Program at Sandia National Laboratories; U.S. DOE National Nuclear Security Administration [DE-AC04-94AL85000]; U.S. Department of Energy, Office of Science, and Office of Basic Energy Sciences [DESC0001160] FX MSL and JNM thank the financial support from the School of Engineering at the University of Maryland, and the Minta Martin Award. CG acknowledge the University of Maryland 2015 Graduate School's Summer Research Fellowship program. This work was partially supported by the Laboratory Directed Research and Development Program at Sandia National Laboratories. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the U.S. DOE National Nuclear Security Administration under Contract DE-AC04-94AL85000. Nanostructures for Electrical Energy Storage (NEES), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, and Office of Basic Energy Sciences under award DESC0001160, provided partial support to AAT and GR for data analysis and manuscript authoring, and to AP for carrying out XPS experiments and analysis. NR 30 TC 4 Z9 4 U1 20 U2 122 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1944-8244 J9 ACS APPL MATER INTER JI ACS Appl. Mater. Interfaces PD DEC 2 PY 2015 VL 7 IS 47 BP 26007 EP 26011 DI 10.1021/acsami.5b07058 PG 5 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA CX8DB UT WOS:000365931700001 PM 26436529 ER PT J AU Liu, HQ Adzic, RR Wong, SS AF Liu, Haiqing Adzic, Radoslav R. Wong, Stanislaus S. TI Multifunctional Ultrathin PdxCu1-x and Pt similar to PdxCu1-x One-Dimensional Nanowire Motifs for Various Small Molecule Oxidation Reactions SO ACS APPLIED MATERIALS & INTERFACES LA English DT Article DE PdCu ultrathin nanowires; Pt monolayer; formic acid oxidation; methanol oxidation; ethanol oxidation ID FORMIC-ACID OXIDATION; ENHANCED ELECTROCATALYTIC PERFORMANCE; PLATINUM MONOLAYER ELECTROCATALYSTS; OXYGEN REDUCTION REACTION; NANOPOROUS PDCU ALLOY; ALKALINE FUEL-CELL; ETHANOL OXIDATION; FACILE SYNTHESIS; METHANOL ELECTROOXIDATION; PT-CO AB Developing novel electrocatalysts for small molecule oxidation processes, including formic acid oxidation (FAOR), methanol oxidation reaction (MOR), and ethanol oxidation reaction (EOR), denoting the key anodic reactions for their respective fuel cell configurations, is a significant and relevant theme of recent efforts in the field. Herein, in this report, we demonstrated a concerted effort to couple and combine the benefits of small size, anisotropic morphology, and tunable chemical composition in order to devise a novel "family" of functional architectures. In particular, we have fabricated not only ultrathin 1-D Pd1-xCux alloys but also Pt-coated Pd1-xCux (i.e., Pt similar to Pd1-xCux; herein the similar to indicates an intimate association, but not necessarily actual bond formation, between the inner bimetallic core and the Pt outer shell) core shell hierarchical nanostructures with readily tunable chemical compositions by utilizing a facile, surfactant-based, wet chemical synthesis coupled with a Cu underpotential deposition technique. Our main finding is that our series of as-prepared nanowires are functionally flexible. More precisely, we demonstrate that various examples within this "family" of structural motifs can be tailored for exceptional activity with all 3 of these important electrocatalytic reactions. In particular, we note that our series of Pd1-xCux nanowires all exhibit enhanced FAOR activities as compared with not only analogous Pd ultrathin nanowires but also commercial Pt and Pd standards, with Pd9Cu representing the "optimal" composition. Moreover, our group of Pt similar to Pd1-xCux nanowires consistently outperformed not only commercial Pt NPs but also ultrathin Pt nanowires by several fold orders of magnitude for both the MOR and EOR reactions in alkaline media. The variation of the MOR and EOR performance with the chemical composition of our ultrathin Pt similar to Pd1-xCux nanowires was also discussed. C1 [Liu, Haiqing; Wong, Stanislaus S.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. [Adzic, Radoslav R.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Wong, Stanislaus S.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. RP Wong, SS (reprint author), SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. EM stanislaus.wong@stonybrook.edu FU U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division; U.S. Department of Energy [DE-AC02-98CH10886, DE-SC-00112704] FX Research for all authors was supported by the U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division. Experiments for this manuscript were performed in part at the Center for Functional Nanomaterials located at Brookhaven National Laboratory, which is supported by the U.S. Department of Energy under Contracts DE-AC02-98CH10886 and DE-SC-00112704. NR 63 TC 16 Z9 16 U1 27 U2 90 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1944-8244 J9 ACS APPL MATER INTER JI ACS Appl. Mater. Interfaces PD DEC 2 PY 2015 VL 7 IS 47 BP 26145 EP 26157 DI 10.1021/acsami.5b07964 PG 13 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA CX8DB UT WOS:000365931700019 PM 26580482 ER PT J AU Tian, LL Zhang, MJ Wu, C Wei, Y Zheng, JX Lin, LP Lu, J Amine, K Zhuang, QC Pan, F AF Tian, Lei-Lei Zhang, Ming-Jian Wu, Chao Wei, Yi Zheng, Jia-Xin Lin, Ling-Piao Lu, Jun Amine, Khalil Zhuang, Quan-Chao Pan, Feng TI gamma-Fe2O3 Nanocrystalline Microspheres with Hybrid Behavior of Battery-Supercapacitor for Superior Lithium Storage SO ACS APPLIED MATERIALS & INTERFACES LA English DT Article DE ferric oxide; rate performance; interfacial capacitance; lithium ion battery; supercapacitor ID HIGH-PERFORMANCE ANODE; NITROGEN-DOPED GRAPHENE; ION BATTERIES; ELECTROCHEMICAL PROPERTIES; FE2O3 NANOPARTICLES; XPS SPECTRA; ALPHA-FE2O3; ELECTRODE; CARBON; NANOTUBES AB Maghemite (gamma-Fe2O3) nanocrystalline microspheres (MNMs) self-assembled with 52 nm nanocrystals bridged with FeOOH around grain boundaries were formed by solvothermal reaction and thermal oxidation. The unique architecture endows the MNMs with the lithium storage behavior of a hybrid battery-supercapacitor electrode: initial charge capacity of 1060 mAh g(-1) at the 100 mA g(-1) rate, stable cyclic capacity of 1077.9 mAh g(-1) at the same rate after 140 cycles, and rate capability of 538.8 mAh g(-1) at 2400 mA g(-1) This outstanding performance was attributed to the nanocrystal superiority, which shortens the Li+ diffusion paths. The mechanism of this hybrid anode material was investigated with experimental measurements and structural analysis. The results indicate that at the first discharge, the MNM nanocrystal microsphere, whose structure can buffer the volume change that occurs during lithiation/delithiation, goes through four stages: Li+ insertion in cation vacancies, spinel-to-rocksalt transformation, Li+ intercalation of Li1.75+xFe2O3 nanocrystals, and interfacial Li storage around nanocrystal boundaries. Only the latter two stages were reversible at and after the second charging/discharging cycle, exhibiting the hybrid behavior of a battery-supercapacitor with superior lithium storage. C1 [Tian, Lei-Lei; Zhang, Ming-Jian; Wei, Yi; Zheng, Jia-Xin; Lin, Ling-Piao; Pan, Feng] Peking Univ, Sch Adv Mat, Shenzhen Grad Sch, Shenzhen 518055, Peoples R China. [Tian, Lei-Lei; Wu, Chao; Zhuang, Quan-Chao] China Univ Min & Technol, Sch Mat Sci & Engn, Xuzhou 221116, Peoples R China. [Lu, Jun; Amine, Khalil] Argonne Natl Lab, Chem Sci & Engn Div, Electrochem Technol Program, Argonne, IL 60439 USA. RP Zhuang, QC (reprint author), China Univ Min & Technol, Sch Mat Sci & Engn, Xuzhou 221116, Peoples R China. EM zhuangquanchao@126.com; panfeng@pkusz.edu.cn RI Tian, Lei-Lei/H-9590-2012 OI Tian, Lei-Lei/0000-0001-5987-2944 FU National Project for EV Batteries [20121110]; Guangdong Innovation Team Project [2013N080]; Shenzhen Science and Technology Research Grant [ZDSY20130331145131323, CXZZ20120829172325895, JCYJ20150629144526408] FX The authors acknowledge financial support from the Fund from the National Project for EV Batteries (20121110, Optimum Nano, Shenzhen), the Guangdong Innovation Team Project (No. 2013N080), and the Shenzhen Science and Technology Research Grant (No. ZDSY20130331145131323, CXZZ20120829172325895, JCYJ20150629144526408). The authors are also grateful to the Test Engineer Hai-Wen Zhang for assistance with TG-DSC and nitrogen adsorption measurements. NR 42 TC 12 Z9 12 U1 36 U2 172 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1944-8244 J9 ACS APPL MATER INTER JI ACS Appl. Mater. Interfaces PD DEC 2 PY 2015 VL 7 IS 47 BP 26284 EP 26290 DI 10.1021/acsami.5b08756 PG 7 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA CX8DB UT WOS:000365931700033 PM 26548376 ER PT J AU de Lomana, ALG Schauble, S Valenzuela, J Imam, S Carter, W Bilgin, DD Yohn, CB Turkarslan, S Reiss, DJ Orellana, MV Price, ND Baliga, NS AF de Lomana, Adrian Lopez Garcia Schaeuble, Sascha Valenzuela, Jacob Imam, Saheed Carter, Warren Bilgin, Damla D. Yohn, Christopher B. Turkarslan, Serdar Reiss, David J. Orellana, Monica V. Price, Nathan D. Baliga, Nitin S. TI Transcriptional program for nitrogen starvation-induced lipid accumulation in Chlamydomonas reinhardtii SO BIOTECHNOLOGY FOR BIOFUELS LA English DT Article DE Network modeling; Phenotypic transition; Transcriptional regulatory network; Metabolic network; Lipid accumulation; Chlamydomonas reinhardtii ID DIATOM PHAEODACTYLUM-TRICORNUTUM; GLOBAL GENE-REGULATION; SEED OIL ACCUMULATION; FLUX BALANCE ANALYSIS; TRIACYLGLYCEROL ACCUMULATION; REGULATORY NETWORKS; ESCHERICHIA-COLI; BINDING-PROTEIN; GLYCEROL-3-PHOSPHATE DEHYDROGENASE; MYCOBACTERIUM-TUBERCULOSIS AB Background: Algae accumulate lipids to endure different kinds of environmental stresses including macronutrient starvation. Although this response has been extensively studied, an in depth understanding of the transcriptional regulatory network (TRN) that controls the transition into lipid accumulation remains elusive. In this study, we used a systems biology approach to elucidate the transcriptional program that coordinates the nitrogen starvation-induced metabolic readjustments that drive lipid accumulation in Chlamydomonas reinhardtii. Results: We demonstrate that nitrogen starvation triggered differential regulation of 2147 transcripts, which were co-regulated in 215 distinct modules and temporally ordered as 31 transcriptional waves. An early-stage response was triggered within 12 min that initiated growth arrest through activation of key signaling pathways, while simultaneously preparing the intracellular environment for later stages by modulating transport processes and ubiquitinmediated protein degradation. Subsequently, central metabolism and carbon fixation were remodeled to trigger the accumulation of triacylglycerols. Further analysis revealed that these waves of genome-wide transcriptional events were coordinated by a regulatory program orchestrated by at least 17 transcriptional regulators, many of which had not been previously implicated in this process. We demonstrate that the TRN coordinates transcriptional downregulation of 57 metabolic enzymes across a period of nearly 4 h to drive an increase in lipid content per unit biomass. Notably, this TRN appears to also drive lipid accumulation during sulfur starvation, while phosphorus starvation induces a different regulatory program. The TRN model described here is available as a community-wide web-resource at http://networks.systemsbiology.net/chlamy-portal. Conclusions: In this work, we have uncovered a comprehensive mechanistic model of the TRN controlling the transition from N starvation to lipid accumulation. The program coordinates sequentially ordered transcriptional waves that simultaneously arrest growth and lead to lipid accumulation. This study has generated predictive tools that will aid in devising strategies for the rational manipulation of regulatory and metabolic networks for better biofuel and biomass production. C1 [de Lomana, Adrian Lopez Garcia; Schaeuble, Sascha; Valenzuela, Jacob; Imam, Saheed; Carter, Warren; Turkarslan, Serdar; Reiss, David J.; Orellana, Monica V.; Price, Nathan D.; Baliga, Nitin S.] Inst Syst Biol, Seattle, WA 98109 USA. [Schaeuble, Sascha] Univ Jena, Jena Univ Language & Informat Engn JULIE Lab, Jena, Germany. [Schaeuble, Sascha] Univ Jena, Res Grp Theoret Syst Biol, Jena, Germany. [Bilgin, Damla D.; Yohn, Christopher B.] Sapphire Energy Inc, San Diego, CA USA. [Orellana, Monica V.] Univ Washington, Polar Sci Ctr, Seattle, WA 98195 USA. [Price, Nathan D.] Univ Washington, Dept Bioengn, Seattle, WA 98195 USA. [Price, Nathan D.] Univ Washington, Dept Comp Sci & Engn, Seattle, WA 98195 USA. [Baliga, Nitin S.] Univ Washington, Dept Biol, Seattle, WA 98195 USA. [Baliga, Nitin S.] Univ Washington, Dept Microbiol, Seattle, WA 98195 USA. [Price, Nathan D.; Baliga, Nitin S.] Univ Washington, Mol & Cellular Biol Program, Seattle, WA 98195 USA. [Baliga, Nitin S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Baliga, NS (reprint author), Inst Syst Biol, 401 Terry Ave N, Seattle, WA 98109 USA. EM nbaliga@sytemsbiology.org OI Yohn, Christopher/0000-0002-5937-8070 FU DOE-ABY [DEEE0006315]; NIH Center for Systems Biology [P50 GM076547]; Camille Dreyfus Teacher-Scholar program; German Ministry for Research and Education within the framework of the GerontoSys [FKZ 0315581D]; e:Med initiative [FKZ 01ZX1402C] FX We would like to thank Julie Kerns for a careful reading of the manuscript and for useful comments. We would also like to thank Gustavo Glusman, Max Robinson and Chris Lausted for useful comments. This work was partially funded by DOE-ABY (DEEE0006315) (SI, JV, ALGL, WC, NSB, NDP), NIH Center for Systems Biology (grant P50 GM076547) (ALGL, NSB, NDP) and the Camille Dreyfus Teacher-Scholar program (NDP). We also acknowledge financial support from the German Ministry for Research and Education within the framework of the GerontoSys (grant FKZ 0315581D) and e:Med (grant FKZ 01ZX1402C) initiative (SS). NR 110 TC 2 Z9 2 U1 9 U2 45 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1754-6834 J9 BIOTECHNOL BIOFUELS JI Biotechnol. Biofuels PD DEC 2 PY 2015 VL 8 AR 207 DI 10.1186/s13068-015-0391-z PG 18 WC Biotechnology & Applied Microbiology; Energy & Fuels SC Biotechnology & Applied Microbiology; Energy & Fuels GA CX6AZ UT WOS:000365784900003 ER PT J AU Yu, CW Reddy, AP Simmons, CW Simmons, BA Singer, SW VanderGheynst, JS AF Yu, Chaowei Reddy, Amitha P. Simmons, Christopher W. Simmons, Blake A. Singer, Steven W. VanderGheynst, Jean S. TI Preservation of microbial communities enriched on lignocellulose under thermophilic and high-solid conditions SO BIOTECHNOLOGY FOR BIOFUELS LA English DT Article DE Biological lignocellulose deconstruction; Cryopreservation; Microbial community enrichment ID SP-NOV.; BACTERIAL COMMUNITY; CELLULOLYTIC BACTERIA; RICE STRAW; GEN. NOV.; SOIL; PRETREATMENT; STORAGE; SAMPLES; IDENTIFICATION AB Background: Microbial communities enriched from diverse environments have shown considerable promise for the targeted discovery of microorganisms and enzymes for bioconversion of lignocellulose to liquid fuels. While preservation of microbial communities is important for commercialization and research, few studies have examined storage conditions ideal for preservation. The goal of this study was to evaluate the impact of preservation method on composition of microbial communities enriched on switchgrass before and after storage. The enrichments were completed in a high-solid and aerobic environment at 55 degrees C. Community composition was examined for each enrichment to determine when a stable community was achieved. Preservation methods included cryopreservation with the cryoprotective agents DMSO and glycerol, and cryopreservation without cryoprotective agents. Revived communities were examined for their ability to decompose switchgrass under high-solid and thermophilic conditions. Results: High-throughput 16S rRNA gene sequencing of DNA extracted from enrichment samples showed that the majority of the shift in composition of the switchgrass-degrading community occurred during the initial three 2-week enrichments. Shifts in community structure upon storage occurred in all cryopreserved samples. Storage in liquid nitrogen in the absence of cryoprotectant resulted in variable preservation of dominant microorganisms in enriched samples. Cryopreservation with either DMSO or glycerol provided consistent and equivalent preservation of dominant organisms. Conclusions: A stable switchgrass-degrading microbial community was achieved after three 2-week enrichments. Dominant microorganisms were preserved equally well with DMSO and glycerol. DMSO-preserved communities required more incubation time upon revival to achieve pre-storage activity levels during high-solid thermophilic cultivation on switchgrass. Despite shifts in the community with storage, the samples were active upon revival under thermophilic and high-solid conditions. The results suggest that the presence of microorganisms may be more important than their relative abundance in retaining an active microbial community. C1 [Yu, Chaowei; Reddy, Amitha P.; VanderGheynst, Jean S.] Univ Calif Davis, Dept Biol & Agr Engn, Davis, CA 95616 USA. [Reddy, Amitha P.; Simmons, Christopher W.; Simmons, Blake A.; Singer, Steven W.; VanderGheynst, Jean S.] Joint BioEnergy Inst, Emeryville, CA 94608 USA. [Simmons, Christopher W.] Univ Calif Davis, Dept Food Sci & Technol, Davis, CA 95616 USA. [Simmons, Blake A.] Sandia Natl Labs, Biol & Mat Sci Ctr, Livermore, CA 94551 USA. [Singer, Steven W.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP VanderGheynst, JS (reprint author), Joint BioEnergy Inst, Emeryville, CA 94608 USA. EM jsvander@ucdavis.edu OI VanderGheynst, Jean/0000-0002-1455-8254 FU UC Laboratory Fees Research Program [12-LR-237496]; National Institute of Food and Agriculture project [CA-D-BAE-2228-RR]; Joint BioEnergy Institute, US Department of Energy, Office of Science, Office of Biological and Environmental Research [DE-AC02-05CH11231]; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX We thank Garren Lewis and Toni Leong for assistance with bioreactors. This work was supported by the UC Laboratory Fees Research Program #12-LR-237496, National Institute of Food and Agriculture project CA-D-BAE-2228-RR and the Joint BioEnergy Institute, 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. Sequencing was conducted by the Joint Genome Institute which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 69 TC 3 Z9 3 U1 5 U2 17 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1754-6834 J9 BIOTECHNOL BIOFUELS JI Biotechnol. Biofuels PD DEC 2 PY 2015 VL 8 AR 206 DI 10.1186/s13068-015-0392-y PG 13 WC Biotechnology & Applied Microbiology; Energy & Fuels SC Biotechnology & Applied Microbiology; Energy & Fuels GA CX6AZ UT WOS:000365784900002 PM 26633993 ER PT J AU Li, X Dutta, S AF Li, Xuan Dutta, Sourav TI Extracting molecular potentials from incomplete spectroscopic information SO MOLECULAR PHYSICS LA English DT Article DE molecular potential; spectroscopy; inversion method; fluorescence line positions; fluorescence strengths; insufficient input ID EXCITED-STATE POTENTIALS AB We extend our recently developed inversion method to extract excited-state potentials from fluorescence line positions and line strengths. We consider a previous limitation of the method arising due to insufficient input data in cases where the relatively weaker emission data are not experimentally available. We develop a solution to this problem by regenerating' these weak transition lines via applying a model potential, e.g. a Morse potential. The result of this procedure, illustrated for the Q-branch emission from the lowest three vibrational levels of the B((1)) state of LiRb, is shown to have an error of 0.29cm(-1) in the classically allowed region and a global error of 5.67 cm(-1) for V E( = 10). The robustness of this procedure is also demonstrated by considering the statistical error in the measured line intensities. C1 [Li, Xuan] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Chem Sci & Ultrafast Xray Sci Lab, Berkeley, CA 94720 USA. [Dutta, Sourav] Raman Res Inst, Bangalore 560080, Karnataka, India. RP Li, X (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Chem Sci & Ultrafast Xray Sci Lab, Berkeley, CA 94720 USA. EM xuanli@lbl.gov RI Dutta, Sourav/C-4533-2012 OI Dutta, Sourav/0000-0001-7329-6306 NR 16 TC 0 Z9 0 U1 1 U2 7 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0026-8976 EI 1362-3028 J9 MOL PHYS JI Mol. Phys. PD DEC 2 PY 2015 VL 113 IS 23 BP 3854 EP 3858 DI 10.1080/00268976.2015.1071892 PG 5 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA CX4CM UT WOS:000365645800023 ER PT J AU Kim, MG Wang, M Tucker, GS Valdivia, PN Abernathy, DL Chi, S Christianson, AD Aczel, AA Hong, T Heitmann, TW Ran, S Canfield, PC Bourret-Courchesne, ED Kreyssig, A Lee, DH Goldman, AI McQueeney, RJ Birgeneau, RJ AF Kim, M. G. Wang, M. Tucker, G. S. Valdivia, P. N. Abernathy, D. L. Chi, Songxue Christianson, A. D. Aczel, A. A. Hong, T. Heitmann, T. W. Ran, S. Canfield, P. C. Bourret-Courchesne, E. D. Kreyssig, A. Lee, D. H. Goldman, A. I. McQueeney, R. J. Birgeneau, R. J. TI Spin dynamics near a putative antiferromagnetic quantum critical point in Cu-substituted BaFe2As2 and its relation to high-temperature superconductivity SO PHYSICAL REVIEW B LA English DT Article ID IRON-BASED SUPERCONDUCTORS; FERMI-LIQUID BEHAVIOR; MAGNETIC EXCITATIONS; PAIRING MECHANISM; KONDO DISORDER; TRANSITION; UCU5-XPDX; SYSTEMS; STATE AB We present the results of elastic and inelastic neutron scattering measurements on nonsuperconducting Ba(Fe0.957Cu0.043)(2)As-2, a composition close to a quantum critical point between antiferromagnetic (AFM) ordered and paramagnetic phases. By comparing these results with the spin fluctuations in the low-Cu composition as well as the parent compound BaFe2As2 and superconducting Ba(Fe1-xNix)(2)As-2 compounds, we demonstrate that paramagnon-like spin fluctuations are evident in the antiferromagnetically ordered state of Ba(Fe0.957Cu0.043)(2)As-2, which is distinct from the AFM-like spin fluctuations in the superconducting compounds. Our observations suggest that Cu substitution decouples the interaction between quasiparticles and the spin fluctuations. We also show that the spin-spin correlation length xi(T) increases rapidly as the temperature is lowered and find omega/T scaling behavior, the hallmark of quantum criticality, at an antiferromagnetic quantum critical point. C1 [Kim, M. G.; Bourret-Courchesne, E. D.; Lee, D. H.; Birgeneau, R. J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Wang, M.; Lee, D. H.; Birgeneau, R. J.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Tucker, G. S.; Ran, S.; Canfield, P. C.; Kreyssig, A.; Goldman, A. I.; McQueeney, R. J.] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. [Tucker, G. S.; Ran, S.; Canfield, P. C.; Kreyssig, A.; Goldman, A. I.; McQueeney, R. J.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Valdivia, P. N.; Birgeneau, R. J.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Abernathy, D. L.; Chi, Songxue; Christianson, A. D.; Aczel, A. A.; Hong, T.] Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA. [Heitmann, T. W.] Univ Missouri, Missouri Res Reactor, Columbia, MO 65211 USA. RP Kim, MG (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM mgkim@lbl.gov RI McQueeney, Robert/A-2864-2016; christianson, andrew/A-3277-2016; Hong, Tao/F-8166-2010; Chi, Songxue/A-6713-2013; Aczel, Adam/A-6247-2016; Abernathy, Douglas/A-3038-2012; WANG, MENG/E-6595-2012; Kim, Min Gyu/B-8637-2012; BL18, ARCS/A-3000-2012 OI McQueeney, Robert/0000-0003-0718-5602; christianson, andrew/0000-0003-3369-5884; Hong, Tao/0000-0002-0161-8588; Chi, Songxue/0000-0002-3851-9153; Aczel, Adam/0000-0003-1964-1943; Abernathy, Douglas/0000-0002-3533-003X; WANG, MENG/0000-0002-8232-2331; Kim, Min Gyu/0000-0001-7676-454X; FU US Department of Energy (DOE), Office of Basic Energy Sciences, Materials Sciences and Engineering Division [DE-AC02-05CH11231]; Department of Energy, Basic Energy Sciences, Division of Materials Sciences and Engineering [DE-AC02-07CH11358]; Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy FX The work at the Lawrence Berkeley National Laboratory was supported by the US Department of Energy (DOE), Office of Basic Energy Sciences, Materials Sciences and Engineering Division, under Contract No. DE-AC02-05CH11231. The work at the Ames Laboratory was supported by the Department of Energy, Basic Energy Sciences, Division of Materials Sciences and Engineering, under Contract No. DE-AC02-07CH11358. Research conducted at ORNL's HFIR and SNS was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. NR 64 TC 2 Z9 2 U1 3 U2 16 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9950 EI 2469-9969 J9 PHYS REV B JI Phys. Rev. B PD DEC 2 PY 2015 VL 92 IS 21 AR 214404 DI 10.1103/PhysRevB.92.214404 PG 10 WC Physics, Condensed Matter SC Physics GA CX5YG UT WOS:000365777800004 ER PT J AU Singh, S Xiong, J Chen, AP Fitzsimmons, MR Jia, QX AF Singh, Surendra Xiong, J. Chen, A. P. Fitzsimmons, M. R. Jia, Q. X. TI Field-dependent magnetization of BiFeO3 in an ultrathin La0.7Sr0.3MnO3/BiFeO3 superlattice SO PHYSICAL REVIEW B LA English DT Article ID THIN-FILM HETEROSTRUCTURES; OXIDE INTERFACES AB We report the observation of field-dependent magnetization of BiFeO3 (BFO) in an ultrathin BFO/La0.7Sr0.3MnO3 (LSMO) superlattice using polarized neutron reflectivity (PNR). Our PNR results indicate parallel alignment of magnetization across BFO/LSMO interfaces. The study showed an increase in average magnetization of the BFO layer on increasing applied magnetic field at 10 K, similar to the ferromagnetic nature of LSMO. We obtained a saturation magnetization of 110 +/- 15 kA/m (similar to 0.8 mu(B)/Fe) for an ultrathin BFO layer (similar to 2 unit cells) sandwiched between ultrathin LSMO layers (similar to 2 unit cells), which is much higher than the canted moment (0.03 mu(B)/Fe) in the bulk BFO. C1 [Singh, Surendra] Bhabha Atom Res Ctr, Div Solid State Phys, Bombay 400094, Maharashtra, India. [Xiong, J.; Chen, A. P.; Jia, Q. X.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87544 USA. [Fitzsimmons, M. R.] Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA. RP Singh, S (reprint author), Bhabha Atom Res Ctr, Div Solid State Phys, Bombay 400094, Maharashtra, India. EM surendra@barc.gov.in RI Chen, Aiping/F-3212-2011 OI Chen, Aiping/0000-0003-2639-2797 FU U.S. Department of Energy through the LANL/LDRD program; National Nuclear Security Administration of the U.S. Department of Energy [DE-AC52-06NA25396]; Laboratory Directed Research and Development Program of Oak Ridge National Laboratory FX This work was supported by the U.S. Department of Energy through the LANL/LDRD program and was performed, in part, at the Center for Integrated Nanotechnologies (CINT), a U.S. Department of Energy, Office of Basic Energy Sciences user facility. Los Alamos National Laboratory, an affirmative action equal opportunity employer, is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the U.S. Department of Energy under Contract No. DE-AC52-06NA25396. This research was partially supported by the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the U.S. Department of Energy. NR 26 TC 2 Z9 2 U1 6 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 DEC 2 PY 2015 VL 92 IS 22 AR 224405 DI 10.1103/PhysRevB.92.224405 PG 6 WC Physics, Condensed Matter SC Physics GA CX5YK UT WOS:000365778200007 ER PT J AU Hatta, Y Monnai, A Xiao, BW AF Hatta, Yoshitaka Monnai, Akihiko Xiao, Bo-Wen TI Flow harmonics v(n) at finite density SO PHYSICAL REVIEW D LA English DT Article ID NUCLEUS-NUCLEUS COLLISIONS; QUARK-GLUON PLASMA; ELLIPTIC FLOW; STAR EXPERIMENT; COLLABORATION; PERSPECTIVE; DEPENDENCE; ANISOTROPY; PHENIX AB We investigate the Gubser solution of viscous hydrodynamics at finite density and analytically compute the flow harmonics v(n). We explicitly show how v(n) and their viscous corrections depend on the chemical potential. The difference in v(n) between particles and antiparticles is also analytically computed and shown to be proportional to various chemical potentials and the viscosity. Excellent agreement is obtained between the results and the available experimental data from the SPS, RHIC and the LHC. C1 [Hatta, Yoshitaka] Kyoto Univ, Yukawa Inst Theoret Phys, Kyoto 6068502, Japan. [Monnai, Akihiko] Brookhaven Natl Lab, RIKEN BNL Res Ctr, Upton, NY 11973 USA. [Xiao, Bo-Wen] Cent China Normal Univ, Key Lab Quark & Lepton Phys MOE, Wuhan 430079, Peoples R China. [Xiao, Bo-Wen] Cent China Normal Univ, Inst Particle Phys, Wuhan 430079, Peoples R China. RP Hatta, Y (reprint author), Kyoto Univ, Yukawa Inst Theoret Phys, Kyoto 6068502, Japan. FU RIKEN Special Postdoctoral Researcher program FX We thank Hiroshi Masui for an incentive remark which partly motivated this paper, and Anton Andronic for correspondence about the SPS data. We also thank Kenji Morita, Guangyou Qin, Fuqiang Wang, Nu Xu and the members of the nuclear theory group of Kyoto University for interesting discussions and helpful comments. A. M. is supported by the RIKEN Special Postdoctoral Researcher program. NR 51 TC 4 Z9 4 U1 0 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 DEC 2 PY 2015 VL 92 IS 11 AR 114010 DI 10.1103/PhysRevD.92.114010 PG 17 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA CX7GJ UT WOS:000365869900002 ER PT J AU Niklasson, AMN Cawkwell, MJ Rubensson, EH Rudberg, E AF Niklasson, Anders M. N. Cawkwell, M. J. Rubensson, Emanuel H. Rudberg, Elias TI Canonical density matrix perturbation theory SO PHYSICAL REVIEW E LA English DT Article ID ELECTRONIC-STRUCTURE CALCULATIONS; NONLINEAR OPTICAL-PROPERTIES; TIGHT-BINDING METHOD; FUNCTIONAL CALCULATIONS; MOLECULAR-DYNAMICS; SIMULATIONS; IMPLEMENTATION; POLARIZATION; OPERATOR; SYSTEMS AB Density matrix perturbation theory [Niklasson and Challacombe, Phys. Rev. Lett. 92, 193001 (2004)] is generalized to canonical (NVT) free-energy ensembles in tight-binding, Hartree-Fock, or Kohn-Sham density-functional theory. The canonical density matrix perturbation theory can be used to calculate temperature-dependent response properties from the coupled perturbed self-consistent field equations as in density-functional perturbation theory. The method is well suited to take advantage of sparse matrix algebra to achieve linear scaling complexity in the computational cost as a function of system size for sufficiently large nonmetallic materials and metals at high temperatures. C1 [Niklasson, Anders M. N.; Cawkwell, M. J.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Rubensson, Emanuel H.; Rudberg, Elias] Uppsala Univ, Dept Informat Technol, Div Comp Sci, SE-75105 Uppsala, Sweden. RP Niklasson, AMN (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM amn@lanl.gov OI Cawkwell, Marc/0000-0002-8919-3368 FU NNSA of the U.S. DOE [DE-AC52-06NA25396]; U.S. DOE through LANL LDRD program; Goran Gustafsson Foundation; Swedish research council [621-2012-3861]; Swedish national strategic e-science research program (eSSENCE) FX The Los Alamos National Laboratory is operated by Los Alamos National Security, LLC, for the NNSA of the U.S. DOE under Contract No. DE-AC52-06NA25396. We gratefully acknowledge the support of the U.S. DOE through LANL LDRD program, the Goran Gustafsson Foundation, the Swedish research council (Grant No. 621-2012-3861), and the Swedish national strategic e-science research program (eSSENCE) as well as stimulating contributions from Travis Peery at the T-Division Ten-Bar Java Group. NR 64 TC 1 Z9 1 U1 7 U2 19 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 DEC 2 PY 2015 VL 92 IS 6 AR 063301 DI 10.1103/PhysRevE.92.063301 PG 8 WC Physics, Fluids & Plasmas; Physics, Mathematical SC Physics GA CX7HL UT WOS:000365872700018 PM 26764847 ER PT J AU Kimmel, AV Sushko, PV AF Kimmel, Anna V. Sushko, Peter V. TI Mechanisms of formation of chemical bonding and defect formation at the a-SiO2/BaTiO3 interfaces SO JOURNAL OF PHYSICS-CONDENSED MATTER LA English DT Article DE interfaces; defects; oxide/ferroelectric interfaces ID OXIDE HETEROSTRUCTURES; AMORPHOUS SILICA; CERAMICS; COMPOSITES; SURFACE; OXYGEN AB The structure and mechanisms of bonding and defect formation at the interfaces between amorphous silica (a-SiO2) and BaTiO3(0 0 1) were investigated using ab initio molecular dynamics. It was found that the nature of interfacial bonds crucially depends on the BaTiO3 surface termination. In particular, the interface between silica and TiO2-terminated BaTiO3 (BTO) slab is characterised by strong covalent Ti-O-Si bonds, while the interface between silica and BaO-terminated BTO demonstrates ionic character of interfacial bonds and exhibits bond instability. In both cases, the dynamics of oxygen species at oxide interfaces is a driving force of the formation of interfacial bonds and defects. C1 [Kimmel, Anna V.] Natl Phys Lab, Teddington TW11 0LW, Middx, England. [Kimmel, Anna V.; Sushko, Peter V.] UCL, Dept Phys & Astron, London WC1E 6BT, England. [Sushko, Peter V.] Pacific NW Natl Lab, Phys & Computat Sci Directorate, Richland, WA 99352 USA. RP Kimmel, AV (reprint author), Natl Phys Lab, Hampton Rd, Teddington TW11 0LW, Middx, England. EM anna.kimmel@npl.co.uk RI Sushko, Peter/F-5171-2013 OI Sushko, Peter/0000-0001-7338-4146 FU EPSRC [EP/H018328/1, EP/L000202]; National Physical Laboratory; Royal Society; Laboratory Directed Research Program at Pacific Northwest National Laboratory (PNNL); DOE by Battelle [DE-AC05-76RLo1830] FX This work is supported by the EPSRC (grant EP/H018328/1) and National Physical Laboratory. PVS is supported by the Royal Society and the Laboratory Directed Research Program at Pacific Northwest National Laboratory (PNNL). PNNL is a multiprogram national laboratory operated for DOE by Battelle under the contract DE-AC05-76RLo1830. Computer resources on the HECTOR service were provided via our membership of the UK's HPC Materials Chemistry Consortium and funded by EPSRC (portfolio grant EP/L000202). Authors also acknowledge the use of UCL facility LEGION and computational resources at the London Centre for Nanotechnology. NR 33 TC 0 Z9 0 U1 3 U2 10 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-8984 EI 1361-648X J9 J PHYS-CONDENS MAT JI J. Phys.-Condes. Matter PD DEC 2 PY 2015 VL 27 IS 47 AR 475006 DI 10.1088/0953-8984/27/47/475006 PG 10 WC Physics, Condensed Matter SC Physics GA CW9VR UT WOS:000365346800008 PM 26507971 ER PT J AU Ritter, C Provino, A Manfrinetti, P Pecharsky, VK Gschneidner, KA Dhar, SK AF Ritter, C. Provino, A. Manfrinetti, P. Pecharsky, V. K. Gschneidner, K. A., Jr. Dhar, S. K. TI Magnetic structures of R5Ni2In4 and R11Ni4In9 (R = Tb and Ho): strong hierarchy in the temperature dependence of the magnetic ordering in the multiple rare-earth sublattices SO JOURNAL OF PHYSICS-CONDENSED MATTER LA English DT Article DE rare earths nickel indides; rare earth intermetallics; neutron diffraction; magnetic structures ID NEUTRON-DIFFRACTION; CRYSTAL-STRUCTURE; GD; DY11NI4IN9; LU; ER AB The magnetic properties and magnetic structures of the R5Ni2In4 and the microfibrous R11Ni4In9 compounds with R = Tb and Ho have been examined using magnetization, heat capacity, and neutron diffraction data. Rare earth atoms occupy three and five symmetrically inequivalent rare earth sites in R5Ni2In4 and R11Ni4In9 compounds, respectively. As a result of the intra-and inter-magnetic sublattice interactions, the magnetic exchange interactions are different for various rare earth sites; this leads to a cascade of magnetic transitions with a strong hierarchy in the temperature dependence of the magnetic orderings. A transition at T-C = 125 K in Tb5Ni2In4 [kappa(1) = (0, 0, 0)] leads to a ferro/ferrimagnetic order where the magnetic ordering in one of the three R-sublattices leads to the ordering of another one; the third sublattice stays non-magnetic. New magnetic Bragg peaks appearing below T-N = 20 K can be indexed with the incommensurate magnetic propagation vector kappa(2) = (0, 0.636, 1/2); at T-N = 20 K a cycloidal spin order, which acts mostly upon the third R-sublattice, occurs. Ho5Ni2In4 establishes first antiferromagnetism [kappa = (0, 0, 0)] at T-N = 31 K on two R-sublattices; then the system becomes ferro/ferrimagnetic at T-C = 25 K with the third sublattice ordering as well. Tb11Ni4In9 has three magnetic transitions at T-C = 135 K, T-N1 = 35 K and at T-N2 = 20 K; they are respectively coupled to the appearance of different propagation vectors [kappa(1) = (0, 0, 0), kappa(2) = (0, 0, 1/2), kappa(3) = (0, 1, 1/2)], which themselves are operating differently on the five different R-sublattices. Two sublattices remain mostly ferromagnetic down to lowest temperature while the three others are predominantly coupled antiferromagnetically. In Ho11Ni4In9 a purely antiferromagnetic order, described by four different magnetic propagation vectors [kappa(1) = (0, 0.62, 0), kappa(2) = (0, 1, 0), kappa(3) = (0, 0, 1/2), kappa(4) = (0, 1, 1/2)], succeedingly includes all five different sublattices on cooling through transitions at T-N1 = 22 K, T-N2 = 12 K, T-N3 = 8 K and T-N4 = 7 K. The strength of the magnetic interactions of the different sublattices can be linked to structural details for both R5Ni2In4 and R11Ni4In9 compounds. C1 [Ritter, C.] Inst Laue Langevin, F-38042 Grenoble, France. [Provino, A.; Manfrinetti, P.; Pecharsky, V. K.; Gschneidner, K. A., Jr.] Iowa State Univ, Ames Lab, US DOE, Ames, IA 50011 USA. [Provino, A.; Manfrinetti, P.] Univ Genoa, Dept Chem, I-16146 Genoa, Italy. [Provino, A.; Manfrinetti, P.] Inst SPIN CNR, I-16152 Genoa, Italy. [Pecharsky, V. K.; Gschneidner, K. A., Jr.] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA. [Dhar, S. K.] TIFR, Dept Condensed Matter Phys & Mat Sci, Bombay 400005, Maharashtra, India. RP Ritter, C (reprint author), Inst Laue Langevin, BP 156, F-38042 Grenoble, France. EM ritter@ill.fr FU U.S. Department of Energy [DE-AC02-07CH11358]; Office of Basic Energy Sciences, Materials Science and Engineering Division of the Office of Science FX The Ames Laboratory is operated by Iowa State University of Science and Technology for the U.S. Department of Energy, under Contract No. DE-AC02-07CH11358. This work was supported by the Office of Basic Energy Sciences, Materials Science and Engineering Division of the Office of Science. The samples were prepared at the Ames Laboratory, and as the magnetic and heat capacity measurements were also made at the Ames Laboratory. NR 25 TC 0 Z9 0 U1 3 U2 9 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-8984 EI 1361-648X J9 J PHYS-CONDENS MAT JI J. Phys.-Condes. Matter PD DEC 2 PY 2015 VL 27 IS 47 AR 476001 DI 10.1088/0953-8984/27/47/476001 PG 20 WC Physics, Condensed Matter SC Physics GA CW9VR UT WOS:000365346800012 PM 26548457 ER PT J AU Eckstein, J Hart, WE Phillips, CA AF Eckstein, Jonathan Hart, William E. Phillips, Cynthia A. TI PEBBL: an object-oriented framework for scalable parallel branch and bound SO MATHEMATICAL PROGRAMMING COMPUTATION LA English DT Article DE Branch and bound; Parallel computation ID ALGORITHMS; SEARCH; CUT; OPTIMIZATION; PERFORMANCE; SYSTEM; ABACUS; PRICE AB Parallel Enumeration and Branch-and-Bound Library (PEBBL) is a C++ class library implementing the underlying operations needed to support a wide variety of branch-and-bound algorithms on MPI-based message-passing distributed-memory parallel computing environments. PEBBL can be customized to support application-specific operations, while managing the generic aspects of branch and bound, such as maintaining the active subproblem pool across multiple processors, load balancing, and termination detection. PEBBL is designed to provide highly scalable performance on large numbers of processor cores. We describe the basics of PEBBL's architecture, with emphasis on the features most critical to is high scalability, including its flexible two-level load balancing architecture and its support for a synchronously parallel ramp-up phase. We also present an example application: the maximum monomial agreement problem arising from certain machine learning applications. For sufficiently difficult problem instances, we show essentially linear speedup on over 6000 processor cores, demonstrating a new state of the art in scalability for branch-and-bound implementations. We also show how processor cache effects can lead to reproducibly superlinear speedups. C1 [Eckstein, Jonathan] Rutgers State Univ, Dept Management Sci & Informat Syst, 100 Rockafeller Rd, Piscataway, NJ 08854 USA. [Eckstein, Jonathan] Rutgers State Univ, RUTCOR, Piscataway, NJ 08854 USA. [Hart, William E.; Phillips, Cynthia A.] Sandia Natl Labs, Ctr Res Comp, Albuquerque, NM 87185 USA. RP Eckstein, J (reprint author), Rutgers State Univ, Dept Management Sci & Informat Syst, 100 Rockafeller Rd, Piscataway, NJ 08854 USA. EM jeckstei@rci.rutgers.edu; wehart@sandia.gov; caphill@sandia.gov NR 54 TC 1 Z9 1 U1 0 U2 0 PU SPRINGER HEIDELBERG PI HEIDELBERG PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY SN 1867-2949 EI 1867-2957 J9 MATH PROGRAM COMPUT JI Math. Program. Comput. PD DEC PY 2015 VL 7 IS 4 BP 429 EP 469 DI 10.1007/s12532-015-0087-1 PG 41 WC Operations Research & Management Science SC Operations Research & Management Science GA DW2VG UT WOS:000383499300003 ER PT J AU Schlichting, PE Richardson, CL Chandler, B Gipson, PS Mayer, JJ Dabbert, CB AF Schlichting, Peter E. Richardson, Calvin L. Chandler, Brian Gipson, Philip S. Mayer, John J. Dabbert, C. Brad TI WILD PIG (SUS SCROFA) REPRODUCTION AND DIET IN THE ROLLING PLAINS OF TEXAS SO SOUTHWESTERN NATURALIST LA English DT Article ID FERAL HOGS; BOAR; CALIFORNIA; MOUNTAINS; FOREST; SIZE AB Wild pigs (Sus scrofa) are an invasive species that can negatively impact arid environments. Their invasiveness mainly stems from two aspects of their behavior: diet and reproductive ability. We examined the stomach contents (n = 89) and reproductive tracts (n = 78) taken from wild pigs from June 1996 to October 1998 in the Rolling Plains of Texas. Pigs showed variation in forage categories among seasons. Agricultural crops were used with high frequency in all seasons. Farrowing peaked between December and February, with an average fetal litter size of 4.75 +/- 2.67. Older and larger sows tended to have larger litters, but sows as young as 8 months of age were reproductive. We recommend limiting pig access to agricultural crops when possible and trapping when pigs are most nutrient stressed (summer). Control efforts should be most effective immediately preceding the farrowing peak and focused on females > 8 months of age. C1 [Schlichting, Peter E.; Chandler, Brian; Gipson, Philip S.; Dabbert, C. Brad] Texas Tech Univ, Dept Nat Resources Management, Lubbock, TX 79409 USA. [Richardson, Calvin L.] Texas Parks & Wildlife Dept, Canyon, TX 79015 USA. [Mayer, John J.] Savannah River Natl Lab, Aiken, SC 29808 USA. RP Schlichting, PE (reprint author), Texas Tech Univ, Dept Nat Resources Management, Lubbock, TX 79409 USA. EM pschlich@srel.uga.edu NR 36 TC 1 Z9 1 U1 14 U2 16 PU SOUTHWESTERN ASSOC NATURALISTS PI SAN MARCOS PA SOUTHWEST TEXAS STATE UNIV, DEPT BIOLOGY, 601 UNIVERSITY DR, SAN MARCOS, TX 78666 USA SN 0038-4909 EI 1943-6262 J9 SOUTHWEST NAT JI Southw. Natural. PD DEC PY 2015 VL 60 IS 4 BP 321 EP 326 PG 6 WC Biodiversity Conservation; Ecology SC Biodiversity & Conservation; Environmental Sciences & Ecology GA DO0BF UT WOS:000377443700004 ER PT J AU Mittal, S AF Mittal, Sparsh TI A Survey of Techniques for Architecting and Managing Asymmetric Multicore Processors SO ACM COMPUTING SURVEYS LA English DT Article DE Design; Performance; Review; classification; asymmetric multicore processor; heterogeneous multicore architecture; big/little system; reconfigurable AMP ID HETEROGENEOUS CHIP-MULTIPROCESSORS; HIGH-PERFORMANCE; AMDAHLS LAW; CORE; ENERGY; POWER; SYSTEMS; PREDICTION; CMPS AB To meet the needs of a diverse range of workloads, asymmetric multicore processors (AMPs) have been proposed, which feature cores of different microarchitecture or ISAs. However, given the diversity inherent in their design and application scenarios, several challenges need to be addressed to effectively architect AMPs and leverage their potential in optimizing both sequential and parallel performance. Several recent techniques address these challenges. In this article, we present a survey of architectural and system-level techniques proposed for designing and managing AMPs. By classifying the techniques on several key characteristics, we underscore their similarities and differences. We clarify the terminology used in this research field and identify challenges that are worthy of future investigation. We hope that more than just synthesizing the existing work on AMPs, the contribution of this survey will be to spark novel ideas for architecting future AMPs that can make a definite impact on the landscape of next-generation computing systems. C1 [Mittal, Sparsh] Oak Ridge Natl Lab, Future Technol Grp, 1 Bethel Valley Rd,Bldg 5100,MS-6173, Oak Ridge, TN 37830 USA. RP Mittal, S (reprint author), Oak Ridge Natl Lab, Future Technol Grp, 1 Bethel Valley Rd,Bldg 5100,MS-6173, Oak Ridge, TN 37830 USA. EM mittals@ornl.gov FU U.S. Department of Energy, Office of Science, Advanced Scientific Computing Research FX Support for this work was provided by U.S. Department of Energy, Office of Science, Advanced Scientific Computing Research. NR 129 TC 0 Z9 0 U1 0 U2 2 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 2 PENN PLAZA, STE 701, NEW YORK, NY 10121-0701 USA SN 0360-0300 EI 1557-7341 J9 ACM COMPUT SURV JI ACM Comput. Surv. PD DEC PY 2015 VL 48 IS 3 AR 45 DI 10.1145/2856125 PG 38 WC Computer Science, Theory & Methods SC Computer Science GA DI9WG UT WOS:000373852800013 ER PT J AU Gilbert, B Comolli, LR Tinnacher, RM Kunz, M Banfield, JF AF Gilbert, Benjamin Comolli, Luis R. Tinnacher, Ruth M. Kunz, Martin Banfield, Jillian F. TI FORMATION AND RESTACKING OF DISORDERED SMECTITE OSMOTIC HYDRATES SO CLAYS AND CLAY MINERALS LA English DT Article DE Clay Swelling; Cryogenic Transmission Electron Microscopy; Montmorillonite; van der Waals Forces ID TRANSMISSION ELECTRON-MICROSCOPY; X-RAY-DIFFRACTION; VAN-DER-WAALS; ORIENTED ATTACHMENT; LAYER CHARGE; MONTMORILLONITE HYDRATION; INTERLAYER DISTANCE; CRYSTAL-GROWTH; CRYO-TEM; CLAY AB Clay swelling, an important phenomenon in natural systems, can dramatically affect the properties of soils and sediments. Of particular interest in low-salinity, saturated systems are osmotic hydrates, forms of smectite in which the layer separation greatly exceeds the thickness of a single smectite layer due to the intercalation of water. In situ X-ray diffraction (XRD) studies have shown a strong link between ionic strength and average interlayer spacing in osmotic hydrates but also indicate the presence of structural disorder that has not been fully described. In the present study the structural state of expanded smectite in sodium chloride solutions was investigated by combining very low electron dose, high-resolution cryogenic-transmission electron microscopy observations with XRD experiments. Wyoming smectite (SWy-2) was embedded in vitreous ice to evaluate clay structure in aqua. Lattice-fringe images showed that smectite equilibrated in aqueous, low-ionic-strength solutions, exists as individual smectite layers, osmotic hydrates composed of parallel layers, as well as disordered layer conformations. No evidence was found here for edge-to-sheet attractions, but significant variability in interlayer spacing was observed. Whether this variation could be explained by a dependence of the magnitude of long-range cohesive (van der Waals) forces on the number of layers in a smectite particle was investigated here. Calculations of the Hamaker constant for layer-layer interactions showed that van der Waals forces may span at least five layers plus the intervening water and confirmed that forces vary with layer number. Drying of the disordered osmotic hydrates induced re-aggregation of the smectite to form particles that exhibited coherent scattering domains. Clay disaggregation and restacking may be considered as an example of oriented attachment, with the unusual distinction that it may be cycled repeatedly by changing solution conditions. C1 [Gilbert, Benjamin; Tinnacher, Ruth M.; Banfield, Jillian F.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Energy Geosci Div, Berkeley, CA 94720 USA. [Comolli, Luis R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. [Kunz, Martin] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Banfield, Jillian F.] Univ Calif Berkeley, Earth & Planetary Sci, Berkeley, CA 94720 USA. RP Banfield, JF (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Energy Geosci Div, Berkeley, CA 94720 USA.; Banfield, JF (reprint author), Univ Calif Berkeley, Earth & Planetary Sci, Berkeley, CA 94720 USA. EM jbanfield@berkeley.edu RI Gilbert, Benjamin/E-3182-2010 FU Office of Science, Office of Basic Energy Sciences (BES), Chemical Sciences, Geosciences, and Biosciences Division, of the U.S. Department of Energy (DOE) [DE-AC02-05CH11231]; U.S. Department of Energy Used Fuel Disposition (UFD) Campaign [DE-AC02-05CH11231]; DOE BES Materials Science and Engineering Division, Biomolecular Materials (BMM) [DE-SC0008068] FX The authors thank Sean Mulcahy for performing electron beam microprobe analysis and Dr Roger French for access to and assistance with the Gecko Hamaker code. This work was supported by the Office of Science, Office of Basic Energy Sciences (BES), Chemical Sciences, Geosciences, and Biosciences Division, of the U.S. Department of Energy (DOE) under Contract No. DE-AC02-05CH11231. RMT was supported by the U.S. Department of Energy Used Fuel Disposition (UFD) Campaign, Contract No. DE-AC02-05CH11231. The Gecko Hamaker code was developed with support from DOE BES Materials Science and Engineering Division, Biomolecular Materials (BMM) under award DE-SC0008068. NR 53 TC 1 Z9 1 U1 2 U2 13 PU CLAY MINERALS SOC PI CHANTILLY PA 3635 CONCORDE PKWY, STE 500, CHANTILLY, VA 20151-1125 USA SN 0009-8604 EI 1552-8367 J9 CLAY CLAY MINER JI Clay Clay Min. PD DEC PY 2015 VL 63 IS 6 BP 432 EP 442 DI 10.1346/CCMN.2015.0630602 PG 11 WC Chemistry, Physical; Geosciences, Multidisciplinary; Mineralogy; Soil Science SC Chemistry; Geology; Mineralogy; Agriculture GA DJ3QF UT WOS:000374120000002 ER PT J AU D'Antonio, EL Deinema, MS Kearns, SP Frey, TA Tanghe, S Perry, K Roy, TA Gracz, HS Rodriguez, A D'Antonio, J AF D'Antonio, Edward L. Deinema, Mason S. Kearns, Sean P. Frey, Tyler A. Tanghe, Scott Perry, Kay Roy, Timothy A. Gracz, Hanna S. Rodriguez, Ana D'Antonio, Jennifer TI Structure-based approach to the identification of a novel group of selective glucosamine analogue inhibitors of Trypanosoma cruzi glucokinase SO MOLECULAR AND BIOCHEMICAL PARASITOLOGY LA English DT Article DE Chagas' disease; Trypanosome cruzi; Glucokinase; Hexokinase; Structure-based drug design ID SECONDARY STRUCTURE ASSIGNMENT; DRUG DISCOVERY; BIOCHEMICAL-CHARACTERIZATION; DEVELOPMENT SETTINGS; ESTIMATE SOLUBILITY; CRYSTAL-STRUCTURES; ENERGY-METABOLISM; BRUCEI HEXOKINASE; CHAGAS-DISEASE; PROTEIN AB Glucokinase and hexokinase from pathogenic protozoa Trypanosoma cruzi are potential drug targets for antiparasitic chemotherapy of Chagas' disease. These glucose kinases phosphorylate D-glucose with co-substrate ATP and yield glucose 6-phosphate and are involved in essential metabolic pathways, such as glycolysis and the pentose phosphate pathway. An inhibitor class was conceived that is selective for T. cruzi glucokinase (TcGIcK) using structure-based drug design involving glucosamine having a linker from the C2 amino that terminates with a hydrophobic group either being phenyl, p-hydroxyphenyl, or dioxobenzo[b]thiophenyl groups. The synthesis and characterization for two of the four compounds are presented while the other two compounds were commercially available. Four high-resolution X-ray crystal structures of TcGlcK inhibitor complexes are reported along with enzyme inhibition constants (Ki) for TcGlcK and Homo sapiens hexokinase IV (HsHxKIV). These glucosamine analogue inhibitors include three strongly selective TcGIcK inhibitors and a fourth inhibitor, benzoyl glucosamine (BENZ-GlcN), which is a similar variant exhibiting a shorter linker. Carboxybenzyl glucosamine (CBZ-GlcN) was found to be the strongest glucokinase inhibitor known to date, having a K-i of 0.71 +/- 0.05 mu M. Also reported are two biologically active inhibitors against in vitro T. cruzi culture that were BENZ-GlcN and CBZ-GlcN, with intracellular amastigote growth inhibition IC50 values of 16.08 +/- 0.16 M and 48.73 +/- 0.69 M, respectively. These compounds revealed little to no toxicity against mammalian NIH-3T3 fibroblasts and provide a key starting point for further drug development with this class of compound. (C) 2015 Elsevier B.V. All rights reserved. C1 [D'Antonio, Edward L.; Deinema, Mason S.; Kearns, Sean P.; Frey, Tyler A.; Roy, Timothy A.; D'Antonio, Jennifer] Univ South Carolina Beaufort, Dept Nat Sci, 1 Univ Blvd, Bluffton, SC 29909 USA. [Perry, Kay] Cornell Univ, NE CAT, Dept Chem & Chem Biol, Argonne Natl Lab, Bldg 436E,9700 S Cass Ave, Argonne, IL 60439 USA. [Gracz, Hanna S.] N Carolina State Univ, Dept Mol & Struct Biochem, 128 Polk Hall, Raleigh, NC 27695 USA. [Tanghe, Scott; Rodriguez, Ana] NYU, Sch Med, Dept Microbiol, 550 First Ave, New York, NY 10016 USA. RP D'Antonio, EL (reprint author), Univ South Carolina Beaufort, Dept Nat Sci, 1 Univ Blvd, Bluffton, SC 29909 USA. EM edantonio@uscb.edu OI Rodriguez, Ana/0000-0002-0060-3405 FU U.S. National Institutes of Health (SC INBRE) [GM103499]; University of South Carolina Office of the Vice President for Research (Magellan Program); National Institute of General Medical Sciences from the National Institutes of Health [P41 GM103403]; NIH-ORIP HEI grant [S10 RR029205]; DOE Office of Science by Argonne National Laboratory [DE-AC02-06CH11357] FX We thank Dr. Amy E. Sears, Dr. Paul D. Swartz, and Danielle A. Lehman for helpful discussions. The work was supported by the U.S. National Institutes of Health Grant GM103499 (SC INBRE) to E.L.D. and by the University of South Carolina Office of the Vice President for Research (Magellan Program) to M.S.D. and S.P.K. We thank the beamlines of the Northeastern Collaborative Access Team (NE-CAT), which are funded by the National Institute of General Medical Sciences from the National Institutes of Health (P41 GM103403). The Pilatus 6 M detector on beamline 24-ID-C is funded by a NIH-ORIP HEI grant (S10 RR029205). This research used resources from the Advanced Photon Source, a U.S. Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory under Contract No. DE-AC02-06CH11357. Mass spectra and NMR spectra were obtained at North Carolina State University in the mass spectrometry facility and the nuclear magnetic resonance center, respectively, located in the department of chemistry. NR 61 TC 1 Z9 1 U1 7 U2 9 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0166-6851 EI 1872-9428 J9 MOL BIOCHEM PARASIT JI Mol. Biochem. Parasitol. PD DEC PY 2015 VL 204 IS 2 BP 64 EP 76 DI 10.1016/j.molbiopara.2015.12.004 PG 13 WC Biochemistry & Molecular Biology; Parasitology SC Biochemistry & Molecular Biology; Parasitology GA DI5OE UT WOS:000373547700002 PM 26778112 ER PT J AU McClay, WA Yadav, N Ozbek, Y Haas, A Attias, HT Nagarajan, SS AF McClay, Wilbert A. Yadav, Nancy Ozbek, Yusuf Haas, Andy Attias, Hagaii T. Nagarajan, Srikantan S. TI A Real-Time Magnetoencephalography Brain-Computer Interface Using Interactive 3D Visualization and the Hadoop Ecosystem SO BRAIN SCIENCES LA English DT Article DE brain-computer interface; massive data management; machine learning algorithms; magnetoencephalographic (MEG); electroencephalography (EEG); 3D visualization; Hadoop Ecosystem ID SPACE; MEG; SIGNAL AB Ecumenically, the fastest growing segment of Big Data is human biology-related data and the annual data creation is on the order of zetabytes. The implications are global across industries, of which the treatment of brain related illnesses and trauma could see the most significant and immediate effects. The next generation of health care IT and sensory devices are acquiring and storing massive amounts of patient related data. An innovative Brain-Computer Interface (BCI) for interactive 3D visualization is presented utilizing the Hadoop Ecosystem for data analysis and storage. The BCI is an implementation of Bayesian factor analysis algorithms that can distinguish distinct thought actions using magneto encephalographic (MEG) brain signals. We have collected data on five subjects yielding 90% positive performance in MEG mid- and post-movement activity. We describe a driver that substitutes the actions of the BCI as mouse button presses for real-time use in visual simulations. This process has been added into a flight visualization demonstration. By thinking left or right, the user experiences the aircraft turning in the chosen direction. The driver components of the BCI can be compiled into any software and substitute a user's intent for specific keyboard strikes or mouse button presses. The BCI's data analytics of a subject's MEG brainwaves and flight visualization performance are stored and analyzed using the Hadoop Ecosystem as a quick retrieval data warehouse. C1 [McClay, Wilbert A.; Yadav, Nancy; Ozbek, Yusuf] Northeastern Univ, Boston, MA 02115 USA. [McClay, Wilbert A.; Yadav, Nancy; Ozbek, Yusuf] Lawrence Livermore Natl Lab, Boston, MA 02115 USA. [Haas, Andy] Dataura, Sierra Vista, AZ 85635 USA. [Attias, Hagaii T.] Golden Metall Inc, San Francisco, CA 94147 USA. [Nagarajan, Srikantan S.] Univ Calif San Francisco, Dept Radiol, Biomagnet Imaging Lab, San Francisco, CA 94122 USA. RP McClay, WA (reprint author), Northeastern Univ, Boston, MA 02115 USA. EM mcclay.w@husky.neu.edu; yadav.na@husky.neu.edu; y.ozbek@neu.edu; andy.haas@m-six.com; htattias@goldenmetallic.com; sri@radiology.ucsf.edu NR 31 TC 0 Z9 1 U1 2 U2 2 PU MDPI AG PI BASEL PA POSTFACH, CH-4005 BASEL, SWITZERLAND SN 2076-3425 EI 2976-3425 J9 BRAIN SCI JI Brain Sci. PD DEC PY 2015 VL 5 IS 4 BP 419 EP 440 DI 10.3390/brainsci5040419 PG 22 WC Neurosciences SC Neurosciences & Neurology GA DH3TW UT WOS:000372710700003 PM 26437432 ER PT J AU Bolotnikov, AE Ackley, K Camarda, GS Cui, Y Eger, JF De Geronimo, G Finfrock, C Fried, J Hossain, A Lee, W Prokesch, M Petryk, M Reiber, JL Roy, U Vernon, E Yang, G James, RB AF Bolotnikov, A. E. Ackley, K. Camarda, G. S. Cui, Y. Eger, J. F. De Geronimo, G. Finfrock, C. Fried, J. Hossain, A. Lee, W. Prokesch, M. Petryk, M. Reiber, J. L. Roy, U. Vernon, E. Yang, G. James, R. B. TI High-Efficiency CdZnTe Gamma-Ray Detectors SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE CdZnTe; charge-loss correction; crystal defects; virtual Frisch-grid detectors ID POSITION-SENSITIVE DETECTORS; CHARGE-COLLECTION EVENTS; READOUT; CHAMBER AB The longer electron lifetime of today's CdZnTe (CZT) crystals allows for free carriers to travel longer distances in the crystals, which means that, in principle, thicker devices could be fabricated. These thicker CZT devices would offer greater detection efficiency for high-energy gamma-ray detectors. However, up to now, the thicknesses and sizes of actual detectors have still been limited by the nonuniform detector response, and the biggest devices reported in the literature are (20 x 20 x 15)-mm(3) pixelated detectors with a drift distance of 15 mm. Although thicker and bigger single crystals are becoming available today, the high requirements on their crystal quality drastically reduce their acceptance yield and increase their cost. Fortunately, in many cases, the inhomogeneity in response can be corrected by segmenting the active volumes of the detectors and correcting the responses generated from each of the voxels. Such high-granularity position-sensitive detectors open up the opportunity for using thicker and less expensive CZT crystals. The goal of this work is to demonstrate that today's commercial high electron mobility-lifetime CZT material is suitable for a new class of detectors with 20-25-mm drift distances and even larger in the near future, provided that the detectors' response nonuniformities can be corrected on a scale comparable to or larger than the sizes of the electron clouds, which is similar to 100 mu m. C1 [Bolotnikov, A. E.; Ackley, K.; Camarda, G. S.; Cui, Y.; De Geronimo, G.; Finfrock, C.; Fried, J.; Hossain, A.; Roy, U.; Vernon, E.; Yang, G.; James, R. B.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Eger, J. F.; Prokesch, M.; Reiber, J. L.] eV Prod Inc, Saxonburg, PA 16056 USA. [Lee, W.] Korea Univ, Seoul 151742, South Korea. [Petryk, M.] SUNY Binghamton, Vestal, NY 13850 USA. RP Bolotnikov, AE (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM bolotnik@bnl.gov FU U.S. Department of Energy; Office of Nonproliferation and Verification Research & Development, DNN RD; U.S. Defense Threat Reduction Agency (DTRA); BNL's Technology Maturation Award; U.S. Department of Energy [DE-AC02-98CH1-886] FX This work was supported by the U.S. Department of Energy, the Office of Nonproliferation and Verification Research & Development, DNN R&D, the U.S. Defense Threat Reduction Agency (DTRA), and BNL's Technology Maturation Award. The manuscript has been authored by Brookhaven Science Associates, LLC, under Contract No. DE-AC02-98CH1-886 with the U.S. Department of Energy. NR 16 TC 1 Z9 1 U1 2 U2 5 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9499 EI 1558-1578 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD DEC PY 2015 VL 62 IS 6 BP 3193 EP 3198 DI 10.1109/TNS.2015.2493444 PN 2 PG 6 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA DG4AY UT WOS:000372013500013 ER PT J AU Blatnik, M Dehmelt, K Deshpande, A Dixit, D Feege, N Hemmick, TK Lewis, B Purschke, ML Roh, W Torales-Acosta, F Videbaek, T Zajac, S AF Blatnik, Marie Dehmelt, Klaus Deshpande, Abhay Dixit, Dhruv Feege, Nils Hemmick, Thomas K. Lewis, Benji Purschke, Martin L. Roh, William Torales-Acosta, Fernando Videbaek, Thomas Zajac, Stephanie TI Performance of a Quintuple-GEM Based RICH Detector Prototype SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE Cerenkov detectors; gem detectors; micropattern gas chambers; nuclear physics instrumentation; particle detectors; particle measurements; rich detectors ID PHENIX EXPERIMENT; CF4 AB Cerenkov technology is often the optimal choice for particle identification in high energy particle collision applications. Typically, the most challenging regime is at high pseudorapidity (forward) where particle identification must perform well at high laboratory momenta. For the upcoming electron ion collider (EIC), the physics goals require hadron (pi, K, p) identification up to similar to 50 GeV/c. In this region Cerenkov ring-imaging (RICH) is the most viable solution. The speed of light in a radiator medium is inversely proportional to the refractive index. Hence, for particle identification (PID) reaching out to high momenta a small index of refraction is required. Unfortunately, the lowest indices of refraction also result in the lowest light yield oc sine (dN gamma/d infinity proportional to sin(2) (theta(C))) driving up the radiator length and thereby the overall detector cost. In this paper we report on a successful test of a compact RICH detector (1 meter radiator) capable of delivering in excess of 10 photoelectrons per ring with a low index radiator gas (CF4). The detector concept is a natural extension of the PHENIX hadron-blind detector (HBD) achieved by adding focusing capability at low wavelength and adequate gain for high efficiency detection of single-electron induced avalanches. Our results indicate that this technology is indeed a viable choice in the forward direction of the EIC. The setup and results are described within. C1 [Blatnik, Marie; Dehmelt, Klaus; Deshpande, Abhay; Dixit, Dhruv; Feege, Nils; Hemmick, Thomas K.; Lewis, Benji; Roh, William; Torales-Acosta, Fernando; Videbaek, Thomas; Zajac, Stephanie] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. [Purschke, Martin L.] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Blatnik, M (reprint author), SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. EM klaus.dehmelt@stonybrook.edu FU U.S. Department of Energy (DOE) [1901/59187] FX This work was supported in part by the U.S. Department of Energy (DOE) under Award 1901/59187. NR 20 TC 1 Z9 1 U1 0 U2 0 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9499 EI 1558-1578 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD DEC PY 2015 VL 62 IS 6 BP 3256 EP 3264 DI 10.1109/TNS.2015.2487999 PN 2 PG 9 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA DG4AY UT WOS:000372013500020 ER PT J AU Bai, EW Heifetz, A Raptis, P Dasgupta, S Mudumbai, R AF Bai, Er-wei Heifetz, Alexander Raptis, Paul Dasgupta, Soura Mudumbai, Raghuraman TI Maximum Likelihood Localization of Radioactive Sources Against a Highly Fluctuating Background SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE Gamma ray detection; maximum likelihood estimation; parameter estimation ID SENSOR NETWORK; TRACKING AB This paper considers the use of maximum likelihood estimation to localize a stationary source from total gamma ray counts, in an open area setting with a highly fluctuating background. As this turns out to be a highly nonconcave maximization, convergence rates of global convergent algorithms, such as simulated annealing, can be very slow and iterative algorithms such an Newton's method for maximization can be captured by local maxima while fast. Thus, the selection of the initial estimate is critical to how well they perform. This paper proposes a way to generate such an initial estimate using an averaging process that is shown to be asymptotically convergent to the maximum likelihood source estimate. This ensures that with a sufficiently large number of samples, the initial estimate is indeed within of the basin of attraction of such iterative algorithms. Analytical results are supported by numerical simulations based on a measured background data and synthetically injected source data. C1 [Bai, Er-wei; Heifetz, Alexander; Raptis, Paul; Dasgupta, Soura; Mudumbai, Raghuraman] Univ Iowa, Dept Elect & Comp Engn, Iowa City, IA 52242 USA. [Bai, Er-wei] Queens Univ, Sch Elect Elect Engn & Comp Sci, Belfast, Antrim, North Ireland. [Heifetz, Alexander; Raptis, Paul] Argonne Natl Lab, Nucl Engn Div, Lemont, IL 60439 USA. RP Bai, EW (reprint author), Univ Iowa, Dept Elect & Comp Engn, Iowa City, IA 52242 USA. EM erwei@engineering.uiowa.edu; dasgupta@engineering.uiowa.edu; rmudumbai@engineering.uiowa.edu FU National Science Foundation [EPS-1101284, ECCS-1150801, CNS-1239509]; Department of Energy [DE-FG52-09NA29364]; Roy J. Carver Charitable Trust FX This work was supported in part by the National Science Foundation under Grants EPS-1101284, ECCS-1150801, and CNS-1239509, in part by the Department of Energy under Grant DE-FG52-09NA29364, and in part by a grant from the Roy J. Carver Charitable Trust. NR 19 TC 0 Z9 0 U1 2 U2 2 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9499 EI 1558-1578 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD DEC PY 2015 VL 62 IS 6 BP 3274 EP 3282 DI 10.1109/TNS.2015.2497327 PN 2 PG 9 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA DG4AY UT WOS:000372013500022 ER PT J AU Lenardo, B Kazkaz, K Manalaysay, A Mock, J Szydagis, M Tripathi, M AF Lenardo, Brian Kazkaz, Kareem Manalaysay, Aaron Mock, Jeremy Szydagis, Matthew Tripathi, Mani TI A Global Analysis of Light and Charge Yields in Liquid Xenon SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE Dark matter search; energy scale; gamma-ray apparatus; gamma-ray detection; gas scintillation; ionization chambers; liquid rare gases; liquid scintillation; liquid xenon; Markov chain; Monte Carlo; neutrino detection; particle calorimetry; radiation detectors; scintillation counters; simulation; yield estimation ID DARK-MATTER SEARCHES; SCINTILLATION EFFICIENCY; NUCLEAR RECOILS; IONIZATION YIELD; ARGON; RECOMBINATION; DETECTORS; PARTICLES; GASES; MODEL AB We present an updated model of light and charge yields from nuclear recoils in liquid xenon with a simultaneously constrained parameter set. A global analysis is performed using measurements of electron and photon yields compiled from all available historical data, as well as measurements of the ratio of the two. These data sweep over energies from 1 - 300 keV and external applied electric fields from 0 - 4060 V/cm. The model is constrained by constructing global cost functions and using a simulated annealing algorithm and a Markov Chain Monte Carlo approach to optimize and find confidence intervals on all free parameters in the model. This analysis contrasts with previous work in that we do not unnecessarily exclude data sets nor impose artificially conservative assumptions, do not use spline functions, and reduce the number of parameters used in NEST v0.98. We report our results and the calculated best-fit charge and light yields. These quantities are crucial to understanding the response of liquid xenon detectors in the energy regime important for rare event searches such as the direct detection of dark matter particles. C1 [Lenardo, Brian; Manalaysay, Aaron; Tripathi, Mani] Univ Calif Davis, Davis, CA 95616 USA. [Lenardo, Brian; Kazkaz, Kareem] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Mock, Jeremy; Szydagis, Matthew] SUNY Albany, Dept Phys, Albany, NY 12222 USA. RP Lenardo, B (reprint author), Univ Calif Davis, Davis, CA 95616 USA. EM bglenardo@ucdavis.edu; kazkaz1@llnl.gov; aaronm@ucdavis.edu; jmock@albany.edu; mszydagis@albany.edu; mani@physics.ucdavis.edu FU Lawrence Scholars Program at Lawrence Livermore National Laboratory; U.S. Department of Energy, National Nuclear Security Administration [DE-AC52-07NA27344]; U.S. Department of Energy at the University of California, Davis [DE-FG02-91ER40674]; DOE [DE-NA0000979, LLNL-JRNL-664499] FX B. Lenardo is supported by the Lawrence Scholars Program at Lawrence Livermore National Laboratory, which is operated by Lawrence Livermore National Security, LLC, for the U.S. Department of Energy, National Nuclear Security Administration under Contract DE-AC52-07NA27344. This work was supported by U.S. Department of Energy grant DE-FG02-91ER40674 at the University of California, Davis, as well as supported by DOE grant DE-NA0000979, which funds the seven universities involved in the Nuclear Science and Security Consortium (LLNL-JRNL-664499). NR 56 TC 12 Z9 12 U1 0 U2 1 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9499 EI 1558-1578 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD DEC PY 2015 VL 62 IS 6 BP 3387 EP 3396 DI 10.1109/TNS.2015.2481322 PN 2 PG 10 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA DG4AY UT WOS:000372013500035 ER PT J AU Wang, XJ Pan, ZP Fan, FF Wang, JW Liu, Y Mao, SX Zhu, T Xia, SM AF Wang, Xueju Pan, Zhipeng Fan, Feifei Wang, Jiangwei Liu, Yang Mao, Scott X. Zhu, Ting Xia, Shuman TI Nanoscale Deformation Analysis With High-Resolution Transmission Electron Microscopy and Digital Image Correlation SO JOURNAL OF APPLIED MECHANICS-TRANSACTIONS OF THE ASME LA English DT Article DE digital image correlation; high-resolution transmission electron microscopy; deformation analysis; error assessment; lens distortion ID ATOMIC-FORCE MICROSCOPY; PURE AMORPHOUS-SILICON; FIELD-MEASUREMENTS; THIN-FILMS; POLYCRYSTALLINE SILICON; EXPERIMENTAL VALIDATION; STRAIN-MEASUREMENTS; QUANTITATIVE SMALL; ELASTIC PROPERTIES; RESIDUAL-STRESS AB We present an application of the digital image correlation (DIC) method to high-resolution transmission electron microscopy (HRTEM) images for nanoscale deformation analysis. The combination of DIC and HRTEM offers both the ultrahigh spatial resolution and high displacement detection sensitivity that are not possible with other microscope-based DIC techniques. We demonstrate the accuracy and utility of the HRTEM-DIC technique through displacement and strain analysis on amorphous silicon. Two types of error sources resulting from the transmission electron microscopy (TEM) image noise and electromagnetic-lens distortions are quantitatively investigated via rigid-body translation experiments. The local and global DIC approaches are applied for the analysis of diffusion-and reaction-induced deformation fields in electrochemically lithiated amorphous silicon. The DIC technique coupled with HRTEM provides a new avenue for the deformation analysis of materials at the nanometer length scales. C1 [Wang, Xueju; Pan, Zhipeng; Fan, Feifei; Zhu, Ting; Xia, Shuman] Georgia Inst Technol, Woodruff Sch Mech Engn, Atlanta, GA 30332 USA. [Wang, Jiangwei; Mao, Scott X.] Univ Pittsburgh, Dept Mech Engn & Mat Sci, Pittsburgh, PA 15261 USA. [Liu, Yang] Sandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA. RP Xia, SM (reprint author), Georgia Inst Technol, Woodruff Sch Mech Engn, Atlanta, GA 30332 USA. EM shuman.xia@me.gatech.edu RI Wang, Jiangwei/F-8249-2011; Zhu, Ting/A-2206-2009 OI Wang, Jiangwei/0000-0003-1191-0782; FU NSF [CMMI-1300458, CMMI-1100205, DMR-1410936]; NSF through the University of Pittsburgh [CMMI-08010934]; Sandia National Lab.; U.S. Department of Energy [DE-AC04-94AL85000] FX S.X. acknowledges the support from the NSF Grant No. CMMI-1300458. T.Z. acknowledges the support from the NSF Grant Nos. CMMI-1100205 and DMR-1410936. S.X.M. acknowledges the support from the NSF Grant No. CMMI-08010934 through the University of Pittsburgh and Sandia National Lab. 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 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 No. DE-AC04-94AL85000. NR 70 TC 0 Z9 0 U1 4 U2 14 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 DEC PY 2015 VL 82 IS 12 AR 121001 DI 10.1115/1.4031332 PG 9 WC Mechanics SC Mechanics GA DG5XS UT WOS:000372155000001 ER PT J AU Jeanne, P Rutqvist, J Dobson, PF Garcia, J Walters, M Hartline, C Borgia, A AF Jeanne, Pierre Rutqvist, Jonny Dobson, Patrick F. Garcia, Julio Walters, Mark Hartline, Craig Borgia, Andrea TI Geomechanical simulation of the stress tensor rotation caused by injection of cold water in a deep geothermal reservoir SO JOURNAL OF GEOPHYSICAL RESEARCH-SOLID EARTH LA English DT Article ID CALIFORNIA; GEYSERS; STIMULATION; SYSTEM; FIELD; ROCK; FLOW AB We present a three-dimensional thermohydromechanical numerical study of the evolution and distribution of the stress tensor within the northwest part of The Geysers geothermal reservoir (in California), including a detailed study of the region around one injection well from 2003 to 2012. Initially, after imposing a normal faulting stress regime, we calculated local changes in the stress regime around injection wells. Our results were compared with previously published studies in which the stress state was inferred from inverting the focal plane mechanism of seismic events. Our main finding is that changes in stress tensor orientation are caused by injection-induced progressive cooling of the reservoir, as well as by the seasonal variations in injection rate. Because of the gravity flow and cooling around a liquid zone formed by the injection, the vertical stress reduction is larger and propagates far below the injection well. At the same time, the horizontal stress increases, mostly because of stress redistribution below and above the cooling area. These two phenomena cause the rotation of the stress tensor and the appearance of a strike-slip regime above, inside, and below the cooling area. The cooling and the associated rotation of the stress regime can play a significant role in the observed long-term deepening of the microseismicity below active injection wells. C1 [Jeanne, Pierre; Rutqvist, Jonny; Dobson, Patrick F.; Borgia, Andrea] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Energy Geosci Div, Berkeley, CA 94720 USA. [Garcia, Julio; Walters, Mark; Hartline, Craig] Calpine Corp, Middletown, CA USA. RP Jeanne, P (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Energy Geosci Div, Berkeley, CA 94720 USA. EM pjeanne@lbl.gov RI Rutqvist, Jonny/F-4957-2015; Jeanne, Pierre/I-2996-2015; Dobson, Patrick/D-8771-2015 OI Rutqvist, Jonny/0000-0002-7949-9785; Jeanne, Pierre/0000-0003-1487-8378; Dobson, Patrick/0000-0001-5031-8592 FU Geothermal Technologies Program, under the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was conducted with funding provided by the Assistant Secretary for Energy Efficiency and Renewable Energy, Geothermal Technologies Program, under the U.S. Department of Energy contract DE-AC02-05CH11231. The seismic and injection data are available online at http://www.ncedc.org/egs/catalog-search.html and http://geosteam.conservation.ca.gov/WellSearch/GeoWellSearch.aspx, respectively. NR 30 TC 3 Z9 3 U1 1 U2 4 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 DEC PY 2015 VL 120 IS 12 BP 8422 EP 8438 DI 10.1002/2015JB012414 PG 17 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA DG6OG UT WOS:000372204600025 ER PT J AU Lopez, LA Grefenstette, BW Reynolds, SP An, HJ Boggs, SE Christensen, FE Craig, WW Eriksen, KA Fryer, CL Hailey, CJ Harrison, FA Madsen, KK Stern, DK Zhang, WW Zoglauer, A AF Lopez, Laura A. Grefenstette, Brian W. Reynolds, Stephen P. An, Hongjun Boggs, Steven E. Christensen, Finn E. Craig, William W. Eriksen, Kristoffer A. Fryer, Chris L. Hailey, Charles J. Harrison, Fiona A. Madsen, Kristin K. Stern, Daniel K. Zhang, William W. Zoglauer, Andreas TI A SPATIALLY RESOLVED STUDY OF THE SYNCHROTRON EMISSION AND TITANIUM IN TYCHO'S SUPERNOVA REMNANT USING NuSTAR SO ASTROPHYSICAL JOURNAL LA English DT Article DE ISM: individual objects: (Tycho's SNR); ISM: supernova remnants; X-rays: ISM ID GAMMA-RAY EMISSION; CHANDRASEKHAR MASS MODELS; CORE-COLLAPSE SUPERNOVAE; LINE EMISSION; PARTICLE-ACCELERATION; NOVA REMNANTS; DOUBLE-DETONATION; MOLECULAR CLOUD; MAGNETIC-FIELD; IA SUPERNOVAE AB We report results from deep observations (similar to 750 ks) of Tycho's supernova remnant (SNR) with NuSTAR. Using these data, we produce narrow-band images over several energy bands to identify the regions producing the hardest X-rays and to search for radioactive decay line emission from Ti-44. We find that the hardest (>10 keV) X-rays are concentrated in the southwest of Tycho, where recent Chandra observations have revealed high emissivity "stripes" associated with particles accelerated to the knee of the cosmic-ray spectrum. We do not find evidence of Ti-44, and we set limits on its presence and distribution within the SNR. These limits correspond to an upper-limit Ti-44 mass of M-44 < 2.4 x 10(-4) M-circle dot for a distance of 2.3 kpc. We perform a spatially resolved spectroscopic analysis of 66 regions across Tycho. We map the best-fit rolloff frequency of the hard X-ray spectra, and we compare these results to measurements of the shock expansion and ambient density. We find that the highest energy electrons are accelerated at the lowest densities and in the fastest shocks, with a steep dependence of the rolloff frequency with shock velocity. Such a dependence is predicted by models where the maximum energy of accelerated electrons is limited by the age of the SNR rather than by synchrotron losses, but this scenario requires far lower magnetic field strengths than those derived from observations in Tycho. One way to reconcile these discrepant findings is through shock obliquity effects, and future observational work is necessary to explore the role of obliquity in the particle acceleration process. C1 [Lopez, Laura A.] Ohio State Univ, Dept Astron, 174 W 18Th Ave, Columbus, OH 43210 USA. [Lopez, Laura A.] Ohio State Univ, Ctr Cosmol & Astroparticle Phys, Columbus, OH 43210 USA. [Grefenstette, Brian W.; Harrison, Fiona A.; Madsen, Kristin K.] CALTECH, Cahill Ctr Astrophys, Pasadena, CA 91125 USA. [Reynolds, Stephen P.] N Carolina State Univ, Dept Phys, Raleigh, NC 27695 USA. [An, Hongjun] McGill Univ, Dept Phys, Montreal, PQ H3A 2T8, Canada. [Boggs, Steven E.; Craig, William W.; Zoglauer, Andreas] Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. [Christensen, Finn E.] Tech Univ Denmark, Natl Space Inst, DTU Space, DK-2800 Lyngby, Denmark. [Eriksen, Kristoffer A.; Fryer, Chris L.] Los Alamos Natl Lab, CCS 2, Los Alamos, NM 87545 USA. [Hailey, Charles J.] Columbia Univ, Columbia Astrophys Lab, New York, NY 10027 USA. [Stern, Daniel K.] CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. [Zhang, William W.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. RP Lopez, LA (reprint author), Ohio State Univ, Dept Astron, 174 W 18Th Ave, Columbus, OH 43210 USA. EM lopez.513@osu.edu RI Boggs, Steven/E-4170-2015; OI Boggs, Steven/0000-0001-9567-4224; An, Hongjun/0000-0002-6389-9012; Madsen, Kristin/0000-0003-1252-4891 FU NASA through Hubble Fellowship grant - Space Telescope Science Institute [HST-HF2-51342.001]; NASA [NAS 5-26555, NNG08FD60C] FX We acknowledge helpful discussions with Drs. Marco Miceli, Lorenzo Sironi, and Patrick Slane. L.A.L. received support for this work from NASA through Hubble Fellowship grant number HST-HF2-51342.001 awarded by the Space Telescope Science Institute, which is operated by the Association of Universities for Research in Astronomy, Inc., for NASA, under contract NAS 5-26555. Additionally, the work was supported under NASA contract NNG08FD60C and made use of data from the NuSTAR mission, a project led by the California Institute of Technology, managed by the Jet Propulsion Laboratory, and funded by NASA. We thank the NuSTAR Operations, Software, and Calibration teams for support with the execution and analysis of these observations. This research made use of the NuSTAR Data Analysis Software (NuSTARDAS), jointly developed by the ASI Science Data Center (ASDC, Italy) and the California Institute of Technology (USA). NR 74 TC 4 Z9 4 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X EI 1538-4357 J9 ASTROPHYS J JI Astrophys. J. PD DEC 1 PY 2015 VL 814 IS 2 AR 132 DI 10.1088/0004-637X/814/2/132 PG 12 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA DF6KA UT WOS:000371463200001 ER PT J AU de la Figuera, J Quesada, A Martin-Garcia, L Sanz, M Oujja, M Castillejo, M Mascaraque, A N'Diaye, AT Foerster, M Aballe, L Marco, JF AF de la Figuera, Juan Quesada, Adrian Martin-Garcia, Laura Sanz, Mikel Oujja, Mohamed Castillejo, Marta Mascaraque, Arantzazu N'Diaye, Alpha T. Foerster, Michael Aballe, Lucia Marco, Jose F. TI Mossbauer and Magnetic Properties of Coherently Mixed Magnetite-Cobalt Ferrite Grown by Infrared Pulsed-Laser Deposition SO CROATICA CHEMICA ACTA LA English DT Article DE cobalt ferrite; oxide spinels; pulsed laser deposition; Mossbauer spectroscopy ID COFE2O4; FILMS; SPECTROSCOPY AB We have studied the magnetic properties and the composition of cobalt ferrite single crystal films on SrTiO3: Nb grown by infrared pulsed-laser deposition. Mossbauer spectra have been recorded from both the target used to grow the films and the films themselves. The MOssbauer spectra of the target taken at low temperatures show a strong dependence of the recoil free fraction of the octahedral sites with temperature. The films composition, with a coexistence of Co-enriched cobalt ferrite and magnetite, has been estimated assuming a similar ratio of the recoil free fractions of the films. X-ray absorption and x-ray magnetic circular dichroism measurements confirm the valence composition of the film and show ferromagnetic Fe-Co coupling in the films with a coercive field around 0.5 T at room temperature. The combination of these characterization techniques allows establishing the coherent structural and magnetic properties of this biphase system. C1 [de la Figuera, Juan; Martin-Garcia, Laura; Sanz, Mikel; Oujja, Mohamed; Castillejo, Marta; Marco, Jose F.] CSIC, Inst Quim Fis Rocasolano, E-28006 Madrid, Spain. [Quesada, Adrian] CSIC, Inst Ceram & Vidrio, E-28049 Madrid, Spain. [Mascaraque, Arantzazu] Univ Complutense Madrid, E-28040 Madrid, Spain. [N'Diaye, Alpha T.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Foerster, Michael; Aballe, Lucia] CELLS, ALBA Synchrotron Light Facil, ES-08290 Barcelona, Spain. RP de la Figuera, J (reprint author), CSIC, Inst Quim Fis Rocasolano, E-28006 Madrid, Spain. EM jfmarco@iqfr.csic.es RI Marco, Jose/N-3176-2014; Mascaraque, Arantzazu/D-9504-2012; Quesada, Adrian/L-6475-2014; OI Marco, Jose/0000-0002-5147-1449; Mascaraque, Arantzazu/0000-0002-2614-2862; Quesada, Adrian/0000-0002-6994-0514; Sanz, Mikel/0000-0001-6160-3583 FU Spanish Ministry of Economy and Competitiveness (MINECO) [MAT2012-38045-C04-01, CTQ2013-43086-P, MAT2013-48009-C4-1-P]; EU-FP7 NANOPYME Project [310516]; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231]; FPI from the MINECO [BES-2013-063396] FX This research was supported by the Spanish Ministry of Economy and Competitiveness (MINECO) through Projects No. MAT2012-38045-C04-01, CTQ2013-43086-P, and MAT2013-48009-C4-1-P and by the EU-FP7 NANOPYME Project (No. 310516). The PEEM experiments were performed at the CIRCE beamline of the ALBA Synchrotron Light Facility with the collaboration of ALBA staff. 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. L.M.-G. acknowledges support from an FPI contract with reference BES-2013-063396 from the MINECO. NR 26 TC 0 Z9 0 U1 1 U2 7 PU CROATIAN CHEMICAL SOC PI ZAGREB PA MARULICEV TRG 19/II, 41001 ZAGREB, CROATIA SN 0011-1643 EI 1334-417X J9 CROAT CHEM ACTA JI Croat. Chem. Acta PD DEC PY 2015 VL 88 IS 4 DI 10.5562/cca2752 PG 8 WC Chemistry, Multidisciplinary SC Chemistry GA DF5EJ UT WOS:000371374300010 ER PT J AU Savage, TJ Dunphy, DR Harbaugh, S Kelley-Loughnane, N Harper, JC Brinker, CJ AF Savage, Travis J. Dunphy, Darren R. Harbaugh, Svetlana Kelley-Loughnane, Nancy Harper, Jason C. Brinker, C. Jeffrey TI Influence of Silica Matrix Composition and Functional Component Additives on the Bioactivity and Viability of Encapsulated Living Cells SO ACS BIOMATERIALS SCIENCE & ENGINEERING LA English DT Article DE living hybrid biomaterials; cell encapsulation; glycerol modified silanes; bioactivity; cell viability; whole-cell-based biosensors ID SOL-GEL MATERIALS; GREEN FLUORESCENT PROTEINS; SACCHAROMYCES-CEREVISIAE; NONCULTURABLE STATE; PLANT-CELLS; BACTERIA; ENTRAPMENT; IMMOBILIZATION; BIOMOLECULES; INTEGRATION AB The remarkable impact encapsulation matrix chemistry can have on the bioactivity and viability of integrated living cells is reported. Two silica chemistries (aqueous silicate and alkoxysilane), and a functional component additive (glycerol), are employed to generate three distinct silica matrices. These matrices are used to encapsulate living E. coli cells engineered with a synthetic riboswitch for cell-based biosensing. Following encapsulation, membrane integrity, reproductive capability, and riboswitch-based protein expression levels and rates are measured over a 5 week period. Striking differences in E. coli bioactivity, viability, and biosensing performance are observed for cells encapsulated within the different matrices. E. coli cells encapsulated for 35 days in aqueous silicate-based (AqS) matrices showed relatively low membrane integrity, but high reproductive capability in comparison to cells encapsulated in glycerol containing sodium silicate-based (AqS + g) and alkoxysilane-based (PGS) gels. Further, cells in sodium silicate-based matrices showed increasing fluorescence output over time, resulting in a 1.8-fold higher fluorescence level, and a faster expression rate, over cells free in solution. This unusual and unique combination of biological properties demonstrates that careful design of the encapsulation matrix chemistry can improve functionality of the biocomposite material, and result in new and unexpected physiological states. C1 [Savage, Travis J.; Dunphy, Darren R.; Brinker, C. Jeffrey] Univ New Mexico, Chem & Biol Engn, Albuquerque, NM 87106 USA. [Harbaugh, Svetlana; Kelley-Loughnane, Nancy] Air Force Res Lab, Human Effectiveness Directorate, Dayton, OH 45433 USA. [Harper, Jason C.] Sandia Natl Labs, Bioenergy & Biodef Technol, POB 5800, Albuquerque, NM 87185 USA. [Brinker, C. Jeffrey] Sandia Natl Labs, Selfassembled Mat, Albuquerque, NM 87185 USA. RP Harper, JC (reprint author), Sandia Natl Labs, Bioenergy & Biodef Technol, POB 5800, Albuquerque, NM 87185 USA. EM Jason.Harper@sandia.gov; cjbrink@sandia.gov FU Air Force Office of Scientific Research [FA 9550-10-1-0054]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering; Defense Treat Reduction Agency (DTRA) Chem. Bio. Basic Research Program [B0844671, B0947321, B01144531]; Sandia Laboratory Directed Research and Development Program; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was funded by the Air Force Office of Scientific Research (Grant FA 9550-10-1-0054), the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, the Defense Treat Reduction Agency (DTRA) Chem. Bio. Basic Research Program (Grants B0844671, B0947321, B01144531), and the Sandia Laboratory Directed Research and Development Program. Sandia National Laboratories is a multiprogram laboratory operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Company, for the U.S. Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000. NR 50 TC 0 Z9 0 U1 10 U2 21 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2373-9878 J9 ACS BIOMATER SCI ENG JI ACS Biomater. Sci. Eng. PD DEC PY 2015 VL 1 IS 12 BP 1231 EP 1238 DI 10.1021/acsbiomaterials.5b00261 PG 8 WC Materials Science, Biomaterials SC Materials Science GA DE5MO UT WOS:000370675300006 ER PT J AU Polson, N Sokolov, V AF Polson, Nicholas Sokolov, Vadim TI BAYESIAN ANALYSIS OF TRAFFIC FLOW ON INTERSTATE I-55: THE LWR MODEL SO ANNALS OF APPLIED STATISTICS LA English DT Article DE Traffic flow; intelligent transportation system; LWR model; particle filtering; Bayesian posterioor; traffic prediction ID STATE ESTIMATION; PARTICLE FILTERS; NETWORK; INFORMATION; SIMULATION; HIGHWAY; ROADS; WAVES AB Transportation departments take actions to manage traffic flow and reduce travel times based on estimated current and projected traffic conditions. Travel time estimates and forecasts require information on traffic density which are combined with a model to project traffic flow such as the Lighthill-Whitham-Richards (LWR) model. We develop a particle filtering and learning algorithm to estimate the current traffic density state and the LWR parameters. These inputs are related to the so-called fundamental diagram, which describes the relationship between traffic flow and density. We build on existing methodology by allowing real-time updating of the posterior uncertainty for the critical density and capacity parameters. Our methodology is applied to traffic flow data from interstate highway I-55 in Chicago. We provide a real-time data analysis of how to learn the drop in capacity as a result of a major traffic accident. Our algorithm allows us to accurately assess the uncertainty of the current traffic state at shock waves, where the uncertainty is a mixture distribution. We show that Bayesian learning can correct the estimation bias that is present in the model with fixed parameters. C1 [Polson, Nicholas] Univ Chicago, Booth Sch Business, Chicago, IL 60637 USA. [Sokolov, Vadim] Argonne Natl Lab, Lemont, IL 60439 USA. RP Polson, N (reprint author), Univ Chicago, Booth Sch Business, Chicago, IL 60637 USA. EM ngp@chicagobooth.edu; vs@anl.gov NR 42 TC 1 Z9 1 U1 5 U2 7 PU INST MATHEMATICAL STATISTICS PI CLEVELAND PA 3163 SOMERSET DR, CLEVELAND, OH 44122 USA SN 1932-6157 J9 ANN APPL STAT JI Ann. Appl. Stat. PD DEC PY 2015 VL 9 IS 4 BP 1864 EP 1888 DI 10.1214/15-AOAS853 PG 25 WC Statistics & Probability SC Mathematics GA DE2GR UT WOS:000370445600006 ER PT J AU Dodsworth, JA Ong, JC Williams, AJ Dohnalkova, AC Hedlund, BP AF Dodsworth, Jeremy A. Ong, John C. Williams, Amanda J. Dohnalkova, Alice C. Hedlund, Brian P. TI Thermocrinis jamiesonii sp nov., a thiosulfate-oxidizing, autotropic thermophile isolated from a geothermal spring SO INTERNATIONAL JOURNAL OF SYSTEMATIC AND EVOLUTIONARY MICROBIOLOGY LA English DT Article ID YELLOWSTONE-NATIONAL-PARK; RIBOSOMAL-RNA; GEN. NOV.; PHYLOGENETIC CHARACTERIZATION; MICROBIAL COMMUNITY; GENOME SEQUENCE; HOT-SPRINGS; GEOCHEMISTRY; AQUIFICALES; CHLOROFLEXI AB An obligately thermophilic, chemolithotrophic, microaerophilic bacterium, designated strain GBS1(T), was isolated from the water column of Great Boiling Spring, Nevada, USA. Thiosulfate was required for growth. Although capable of autotrophy, growth of GBS1(T) was enhanced in the presence of acetate, peptone or Casamino acids. Growth occurred at 70-85 degrees C with an optimum at 80 degrees C, at pH 6.50-7.75 with an optimum at pH 7.25, with 0.5-8 % oxygen with an optimum at 1-2 % and with <= 200 mM NaCl. The doubling time under optimal growth conditions was 1.3 h, with a final mean cell density of 6.2 +/- 0.5 x 10(7) cells ml(-1). Non-motile, rod-shaped cells 1.4-2.4 x 0.4-0.6 mu m in size occurred singly or in pairs. The major cellular fatty acids (>5 % of the total) were C-20 : 1 omega 9c, C-18 : 0, C-16 : 0 and C-20 : 0. Phylogenetic analysis of the GBS1(T) 16S rRNA gene sequence indicated an affiliation with Thermocrinis ruber and other species of the genus Thermocrinis, but determination of 16S rRNA gene sequence similarity (<= 97.10 %) and in silico estimated DNA-DNA hybridization values (<= 18.4 %) with the type strains of recognized Thermocrinis species indicate that the novel strain is distinct from described species. Based on phenotypic, genotypic and phylogenetic characteristics, a novel species, Thermocrinis jamiesonii sp. nov., is proposed, with GBS1(T) (=JCM 19133(T)=DSM 27162(T)) as the type strain. C1 [Dodsworth, Jeremy A.] Calif State Univ San Bernardino, Dept Biol, San Bernardino, CA 92407 USA. [Dodsworth, Jeremy A.; Ong, John C.; Williams, Amanda J.; Hedlund, Brian P.] Univ Nevada, Sch Life Sci, Las Vegas, NV 89154 USA. [Dohnalkova, Alice C.] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. RP Dodsworth, JA (reprint author), Calif State Univ San Bernardino, Dept Biol, San Bernardino, CA 92407 USA. EM jdodsworth@csusb.edu FU US federal government: National Science Foundation [MCB-0546865, OISE 0968421]; US federal government: NASA [EXONNX11AR78G]; US federal government: JGI [CSP-237]; US federal government: Office of Science of the Department of Energy [DEAC02-05CH11231]; EMSL Rapid grant [47730] FX We thank David and Sandy Jamieson for generous access to GBS and logistical support during sampling excursions, Toniann DeSouza for assistance with determination of growth rates, and Senthil Murugapiran for assistance with phylogenetics. This work was supported by grants funded by the following agencies of the US federal government: the National Science Foundation (MCB-0546865, OISE 0968421), NASA (EXONNX11AR78G) and the JGI (CSP-237), supported by the Office of Science of the Department of Energy under contract DEAC02-05CH11231. Electron microscopy was performed at the Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by the US Department of Energy's Office of Biological and Environmental Research located at Pacific North-west National Laboratory, with funding from an EMSL Rapid 47730 grant. B. P. H. was supported by a generous donation from Greg Fullmer through the UNLV Foundation. NR 29 TC 0 Z9 0 U1 1 U2 2 PU SOC GENERAL MICROBIOLOGY PI READING PA MARLBOROUGH HOUSE, BASINGSTOKE RD, SPENCERS WOODS, READING RG7 1AG, BERKS, ENGLAND SN 1466-5026 EI 1466-5034 J9 INT J SYST EVOL MICR JI Int. J. Syst. Evol. Microbiol. PD DEC PY 2015 VL 65 BP 4769 EP 4775 DI 10.1099/ijsem.0.000647 PN 12 PG 7 WC Microbiology SC Microbiology GA DE2ME UT WOS:000370460600073 PM 26419502 ER PT J AU Smith, SY Collinson, ME Benedict, JC Leong-Skornickova, J Marone, F Parkinson, D AF Smith, Selena Y. Collinson, Margaret E. Benedict, John C. Leong-Skornickova, Jana Marone, Federica Parkinson, Dilworth TI Revision of putative Alpinia (Zingiberaceae) fossils from the Paleogene and Neogene of western Europe SO PALAEONTOGRAPHICA ABTEILUNG B-PALAOPHYTOLOGIE LA English DT Article DE Caricoidea; Carpolithes; Cyperaceae; Eocene; Miocene; seeds; synchrotron X-ray tomographic microscopy; Zingiberales ID EOCENE; SEED AB The fossil floras described by Dieter MAI and Harald WALTHER are invaluable for understanding the past plant diversity in Europe, and provide important information on the occurrence of taxa in the fossil record that is critical for evolutionary studies. Among the taxa they recognized were seeds assigned to the extant genus Alpinia ROXB-. (Zingiberaceae, Zingiberales). We reinvestigated. 28 specimens that were assigned to Alpinia arnensis (CHANDLER) MAI, Alpinia cf arnensis, and Alpinia bivascularis MAI from the Ypresian (lower Eocene) of the UK, upper Eocene of Germany, and lower Miocene of Germany using non-destructive synchrotron-based X-ray tomography to reveal internal anatomy. None of the samples studied show an anatomy consistent with extant Alpinia or even Zingiberales. The fossils lack the globose shape, often striate external surface, seed coat structure, operculum, and micropylar collar seen in all Alpinia, and lack the chalazal chamber seen in many Alpinia species. Two specimens from the lower Miocene of Germany showed the structure of fruits of Caricoidea CHANDLER (Cyperaceae) with a single-layered exocarp, thick mesocarp, and. sclerified endocarp. The other specimens are recognized as Carpolithes albolutum nom. nov. (incertae sedis) from the Ypresian of the UK, C. phoenixnordensis sp. nov. (incertae sedis) from the upper Eocene of Germany, C. bivascularis comb. nov. (incertae sedis) from the lower Miocene of Germany as well as indeterminate tegmens from the lower Miocene of Germany. This reinvestigation demonstrates that there is, as yet, no confirmed fossil record for the extant genus Alpinia. Furthermore, at least four different taxa are recognized from what had been two extinct species, enhancing our understanding of these important European Cenozoic carpofloras. C1 [Smith, Selena Y.; Benedict, John C.] Univ Michigan, Dept Earth & Environm Sci, Ann Arbor, MI 48109 USA. [Smith, Selena Y.] Univ Michigan, Museum Paleontol, Ann Arbor, MI 48109 USA. [Collinson, Margaret E.] Royal Holloway Univ London, Dept Earth Sci, London, England. [Collinson, Margaret E.] Nat Hist Museum, Dept Earth Sci, London SW7 5BD, England. [Leong-Skornickova, Jana] Natl Pk Board, Singapore Bot Gardens, Herbarium, Singapore, Singapore. [Marone, Federica] Paul Scherrer Inst, Swiss Light Source, Villigen, Switzerland. [Parkinson, Dilworth] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Smith, SY (reprint author), Univ Michigan, Dept Earth & Environm Sci, Ann Arbor, MI 48109 USA. EM sysmith@umich.edu RI Marone, Federica/J-4420-2013 NR 33 TC 2 Z9 2 U1 0 U2 0 PU E SCHWEIZERBARTSCHE VERLAGSBUCHHANDLUNG PI STUTTGART PA NAEGELE U OBERMILLER, SCIENCE PUBLISHERS, JOHANNESSTRASSE 3A, D 70176 STUTTGART, GERMANY SN 0375-0299 J9 PALAEONTOGR ABT B JI Palaeontogr. Abt. B-Palaophytol. PD DEC PY 2015 VL 293 IS 1-6 SI SI BP 101 EP 123 PG 23 WC Paleontology SC Paleontology GA DE0JF UT WOS:000370310500005 ER PT J AU Adams, D Alekou, A Apollonio, M Asfandiyarov, R Barber, G Barclay, P de Bari, A Bayes, R Bayliss, V Bene, P Bertoni, R Blackmore, VJ Blondel, A Blot, S Bogomilov, M Bonesini, M Booth, CN Bowring, D Boyd, S Bradshaw, TW Bravar, U Bross, AD Cadoux, F Capponi, M Carlisle, T Cecchet, G Charnley, C Chignoli, F Cline, D Cobb, JH Colling, G Collomb, N Coney, L Cooke, P Courthold, M Cremaldi, LM Debieux, S DeMello, A Dick, A Dobbs, A Dornan, P Drielsma, F Filthaut, F Fitzpatrick, T Franchini, P Francis, V Fry, L Gallagher, A Gamet, R Gardener, R Gourlay, S Grant, A Graulich, JS Greis, J Griffiths, S Hanlet, P Hansen, OM Hanson, GG Hart, TL Hartnett, T Hayler, T Heidt, C Hills, M Hodgson, P Hunt, C Husi, C Iaciofano, A Ishimoto, S Kafka, G Kaplan, DM Karadzhov, Y Kim, YK Kuno, Y Kyberd, P Lagrange, JB Langlands, J Lau, W Leonova, M Li, D Lintern, A Littlefield, M Long, K Luo, T Macwaters, C Martlew, B Martyniak, J Masciocchi, F Mazza, R Middleton, S Moretti, A Moss, A Muir, A Mullacrane, I Nebrensky, JJ Neuffer, D Nichols, A Nicholson, R Nicola, L Messomo, EN Nugent, JC Oates, A Onel, Y Orestano, D Overton, E Owens, P Palladino, V Pasternak, J Pastore, F Pidcott, C Popovic, M Preece, R Prestemon, S Rajaram, D Ramberger, S Rayner, MA Ricciardi, S Roberts, TJ Robinson, M Rogers, C Ronald, K Rothenfusser, K Rubinov, P Rucinski, P Sakamato, H Sanders, DA Sandstrom, R Santos, E Savidge, T Smith, PJ Snopok, P Soler, FJP Speirs, D Stanley, T Stokes, G Summers, DJ Tarrant, J Taylor, I Tortora, L Torun, Y Tsenov, R Tunnell, CD Uchida, MA Vankova-Kirilova, G Virostek, S Vretenar, M Warburton, P Watson, S White, C Whyte, CG Wilson, A Wisting, H Yang, X Young, A Zisman, M AF Adams, D. Alekou, A. Apollonio, M. Asfandiyarov, R. Barber, G. Barclay, P. de Bari, A. Bayes, R. Bayliss, V. Bene, P. Bertoni, R. Blackmore, V. J. Blondel, A. Blot, S. Bogomilov, M. Bonesini, M. Booth, C. N. Bowring, D. Boyd, S. Bradshaw, T. W. Bravar, U. Bross, A. D. Cadoux, F. Capponi, M. Carlisle, T. Cecchet, G. Charnley, C. Chignoli, F. Cline, D. Cobb, J. H. Colling, G. Collomb, N. Coney, L. Cooke, P. Courthold, M. Cremaldi, L. M. Debieux, S. DeMello, A. Dick, A. Dobbs, A. Dornan, P. Drielsma, F. Filthaut, F. Fitzpatrick, T. Franchini, P. Francis, V. Fry, L. Gallagher, A. Gamet, R. Gardener, R. Gourlay, S. Grant, A. Graulich, J. S. Greis, J. Griffiths, S. Hanlet, P. Hansen, O. M. Hanson, G. G. Hart, T. L. Hartnett, T. Hayler, T. Heidt, C. Hills, M. Hodgson, P. Hunt, C. Husi, C. Iaciofano, A. Ishimoto, S. Kafka, G. Kaplan, D. M. Karadzhov, Y. Kim, Y. K. Kuno, Y. Kyberd, P. Lagrange, J. -B. Langlands, J. Lau, W. Leonova, M. Li, D. Lintern, A. Littlefield, M. Long, K. Luo, T. Macwaters, C. Martlew, B. Martyniak, J. Masciocchi, F. Mazza, R. Middleton, S. Moretti, A. Moss, A. Muir, A. Mullacrane, I. Nebrensky, J. J. Neuffer, D. Nichols, A. Nicholson, R. Nicola, L. Messomo, E. Noah Nugent, J. C. Oates, A. Onel, Y. Orestano, D. Overton, E. Owens, P. Palladino, V. Pasternak, J. Pastore, F. Pidcott, C. Popovic, M. Preece, R. Prestemon, S. Rajaram, D. Ramberger, S. Rayner, M. A. Ricciardi, S. Roberts, T. J. Robinson, M. Rogers, C. Ronald, K. Rothenfusser, K. Rubinov, P. Rucinski, P. Sakamato, H. Sanders, D. A. Sandstrom, R. Santos, E. Savidge, T. Smith, P. J. Snopok, P. Soler, F. J. P. Speirs, D. Stanley, T. Stokes, G. Summers, D. J. Tarrant, J. Taylor, I. Tortora, L. Torun, Y. Tsenov, R. Tunnell, C. D. Uchida, M. A. Vankova-Kirilova, G. Virostek, S. Vretenar, M. Warburton, P. Watson, S. White, C. Whyte, C. G. Wilson, A. Wisting, H. Yang, X. Young, A. Zisman, M. TI Electron-muon ranger: performance in the MICE muon beam SO JOURNAL OF INSTRUMENTATION LA English DT Article DE Particle identification methods; Particle tracking detectors; Performance of High Energy Physics Detectors; Calorimeters ID DESIGN AB The Muon Ionization Cooling Experiment (MICE) will perform a detailed study of ionization cooling to evaluate the feasibility of the technique. To carry out this program, MICE requires an efficient particle-identification (PID) system to identify muons. The Electron-Muon Ranger (EMR) is a fully-active tracking-calorimeter that forms part of the PID system and tags muons that traverse the cooling channel without decaying. The detector is capable of identifying electrons with an efficiency of 98.6%, providing a purity for the MICE beam that exceeds 99.8%. The EMR also proved to be a powerful tool for the reconstruction of muon momenta in the range 100-280MeV/c. C1 [Bogomilov, M.; Tsenov, R.; Vankova-Kirilova, G.] Sofia Univ St Kliment Ohridski, Dept Atom Phys, Sofia, Bulgaria. [Bertoni, R.; Bonesini, M.; Chignoli, F.; Mazza, R.] Sez INFN Milano Bicocca, Dipartimento Fis G Occhialini, Milan, Italy. [Palladino, V.] Sez INFN Napoli, Naples, Italy. [Palladino, V.] Univ Federico II, Dipartimento Fis, Naples, Italy. [de Bari, A.; Cecchet, G.] Sez INFN Pavia, Pavia, Italy. [de Bari, A.; Cecchet, G.] Univ Pavia, Dipartimento Fis, I-27100 Pavia, Italy. [Capponi, M.; Iaciofano, A.; Orestano, D.; Pastore, F.; Tortora, L.] Sez INFN Roma Tre, Rome, Italy. [Capponi, M.; Iaciofano, A.; Orestano, D.; Pastore, F.; Tortora, L.] Univ Rome, Dipartimento Fis, Rome, Italy. [Kuno, Y.; Sakamato, H.] Osaka Univ, Dept Phys, Grad Sch Sci, Toyonaka, Osaka 560, Japan. [Ishimoto, S.] High Energy Accelerator Org KEK, Inst Particle & Nucl Studies, Tsukuba, Ibaraki, Japan. [Filthaut, F.] NIKHEF H, NL-1009 DB Amsterdam, Netherlands. [Hansen, O. M.; Ramberger, S.; Vretenar, M.] CERN, Geneva, Switzerland. [Alekou, A.; Asfandiyarov, R.; Bene, P.; Blondel, A.; Cadoux, F.; Debieux, S.; Drielsma, F.; Graulich, J. S.; Husi, C.; Karadzhov, Y.; Masciocchi, F.; Nicola, L.; Messomo, E. Noah; Rothenfusser, K.; Sandstrom, R.; Wisting, H.] Univ Geneva, Sect Phys, DPNC, Geneva, Switzerland. [Alekou, A.; Gallagher, A.; Grant, A.; Martlew, B.; Moss, A.; Muir, A.; Oates, A.] STFC, Daresbury Lab, Daresbury, Cheshire, England. [Adams, D.; Barclay, P.; Bayliss, V.; Bradshaw, T. W.; Courthold, M.; Francis, V.; Fry, L.; Hayler, T.; Hills, M.; Lintern, A.; Macwaters, C.; Nichols, A.; Preece, R.; Ricciardi, S.; Rogers, C.; Stanley, T.; Tarrant, J.; Watson, S.; Wilson, A.] STFC, Rutherford Appleton Lab, Didcot, Oxon, England. [Bayes, R.; Nugent, J. C.; Soler, F. J. P.] Univ Glasgow, Sch Phys & Astron, Glasgow, Lanark, Scotland. [Cooke, P.; Gamet, R.] Univ Liverpool, Dept Phys, Liverpool L69 3BX, Merseyside, England. [Alekou, A.; Apollonio, M.; Barber, G.; Colling, G.; Dobbs, A.; Dornan, P.; Hunt, C.; Lagrange, J. -B.; Long, K.; Martyniak, J.; Middleton, S.; Pasternak, J.; Santos, E.; Savidge, T.; Uchida, M. A.] Univ London Imperial Coll Sci Technol & Med, Dept Phys, Blackett Lab, London, England. [Blackmore, V. J.; Carlisle, T.; Cobb, J. H.; Lau, W.; Rayner, M. A.; Tunnell, C. D.] Univ Oxford, Dept Phys, Oxford, England. [Booth, C. N.; Hodgson, P.; Langlands, J.; Nicholson, R.; Overton, E.; Robinson, M.; Smith, P. J.] Univ Sheffield, Dept Phys & Astron, Sheffield, S Yorkshire, England. [Dick, A.; Ronald, K.; Speirs, D.; Whyte, C. G.; Young, A.] Univ Strathclyde, Dept Phys, Glasgow, Lanark, Scotland. [Boyd, S.; Franchini, P.; Greis, J.; Pidcott, C.; Taylor, I.] Univ Warwick, Dept Phys, Coventry CV4 7AL, W Midlands, England. [Gardener, R.; Kyberd, P.; Littlefield, M.; Nebrensky, J. J.] Brunel Univ, Uxbridge UB8 3PH, Middx, England. [Bross, A. D.; Fitzpatrick, T.; Leonova, M.; Moretti, A.; Neuffer, D.; Popovic, M.; Rubinov, P.; Rucinski, P.] Fermilab Natl Accelerator Lab, Batavia, IL USA. [Roberts, T. J.] Muons Inc, Batavia, IL USA. [Bowring, D.; DeMello, A.; Gourlay, S.; Li, D.; Prestemon, S.; Virostek, S.; Zisman, M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Hanlet, P.; Kafka, G.; Kaplan, D. M.; Rajaram, D.; Snopok, P.; Torun, Y.] IIT, Chicago, IL 60616 USA. [Blot, S.; Kim, Y. K.] Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. [Bravar, U.] Univ New Hampshire, Durham, NH 03824 USA. [Onel, Y.] Univ Iowa, Dept Phys & Astron, Iowa City, IA 52242 USA. [Alekou, A.; Blackmore, V. J.; Cline, D.; Iaciofano, A.; Macwaters, C.; Mullacrane, I.; Yang, X.] Univ Mississippi, Oxford, MS USA. [Adams, D.; Bradshaw, T. W.; Cadoux, F.; Coney, L.; Hanson, G. G.; Heidt, C.; Karadzhov, Y.; Palladino, V.] Univ Calif Riverside, Riverside, CA 92521 USA. RP Drielsma, F (reprint author), Univ Geneva, Sect Phys, DPNC, Geneva, Switzerland. EM francois.drielsma@unige.ch RI Soler, Paul/E-8464-2011; Asfandiyarov, Ruslan/B-5407-2017; OI Soler, Paul/0000-0002-4893-3729; Asfandiyarov, Ruslan/0000-0002-6631-9220; Nebrensky, Jindrich/0000-0002-8412-4259; Torun, Yagmur/0000-0003-2336-6585 FU Department of Energy; National Science Foundation (U.S.A.); Instituto Nazionale di Fisica Nucleare (Italy); Science and Technology Facilities Council (U.K.); European Community under the European Commission Framework Programme 7 (AIDA project) [262025]; European Community under the European Commission Framework Programme 7 (TIARA project) [261905]; European Community under the European Commission Framework Programme 7 (EuCARD); Japan Society for the Promotion of Science; Swiss National Science Foundation FX The work described here was made possible by grants from Department of Energy and National Science Foundation (U.S.A.), the Instituto Nazionale di Fisica Nucleare (Italy), the Science and Technology Facilities Council (U.K.), the European Community under the European Commission Framework Programme 7 (AIDA project, grant agreement no. 262025, TIARA project, grant agreement no. 261905, and EuCARD), the Japan Society for the Promotion of Science and the Swiss National Science Foundation, in the framework of the SCOPES programme. We gratefully acknowledge all sources of support. NR 22 TC 2 Z9 2 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 DEC PY 2015 VL 10 AR P12012 DI 10.1088/1748-0221/10/12/P12012 PG 22 WC Instruments & Instrumentation SC Instruments & Instrumentation GA DD5XP UT WOS:000369998500045 ER PT J AU Bignell, LJ Beznosko, D Diwan, MV Hans, S Jaffe, DE Kettell, S Rosero, R Themann, HW Viren, B Worcester, E Yeh, M Zhang, C AF Bignell, L. J. Beznosko, D. Diwan, M. V. Hans, S. Jaffe, D. E. Kettell, S. Rosero, R. Themann, H. W. Viren, B. Worcester, E. Yeh, M. Zhang, C. TI Characterization and modeling of a Water-based Liquid Scintillator SO JOURNAL OF INSTRUMENTATION LA English DT Article DE Scintillators, scintillation and light emission processes (solid, gas and liquid scintillators); Scintillators and scintillating fibres and light guides; Liquid detectors; Detector modelling and simulations I (interaction of radiation with matter, interaction of photons with matter, interaction of hadrons with matter etc) AB We have characterised Water-based Liquid Scintillator (WbLS) using low energy protons, UV-VIS absorbance, and fluorescence spectroscopy. We have also developed and validated a simulation model that describes the behaviour of WbLS in our detector configurations for proton beam energies of 210MeV, 475 MeV, and 2 GeV and for two WbLS compositions. Our results have enabled us to estimate the light yield and ionisation quenching of WbLS, as well as to understand the influence of the wavelength shifting of Cherenkov light on our measurements. These results are relevant to the suitability of WbLS materials for next generation intensity frontier experiments. C1 [Bignell, L. J.; Beznosko, D.; Diwan, M. V.; Jaffe, D. E.; Kettell, S.; Themann, H. W.; Viren, B.; Worcester, E.; Zhang, C.] Brookhaven Natl Lab, Dept Phys, Penn St, Upton, NY 11973 USA. [Hans, S.; Rosero, R.; Yeh, M.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Beznosko, D.] Nazarbayev Univ, Dept Phys, Astana, Kazakhstan. [Themann, H. W.] Inst for Basic Sci Korea, Ctr Ax & Precis Phys Res, Daejeon, South Korea. RP Bignell, LJ (reprint author), Brookhaven Natl Lab, Dept Phys, Penn St, Upton, NY 11973 USA. EM lbignell@bnl.gov OI Beznosko, Dmitriy/0000-0003-4828-8659; Zhang, Chao/0000-0003-2298-6272 FU Brookhaven National Laboratory [LDRD 12-033]; U.S. Department of Energy [KA2501032] FX We would like to thank Mike Sivertz, Adam Rusek, and Chiara La Tessa at the NASA Space Radiation Laboratory, as well as Ken Sexton for their assistance with this study. This research was supported by LDRD 12-033 of Brookhaven National Laboratory and by the U.S. Department of Energy, contract number KA2501032. NR 15 TC 1 Z9 1 U1 1 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 DEC PY 2015 VL 10 AR P12009 DI 10.1088/1748-0221/10/12/P12009 PG 16 WC Instruments & Instrumentation SC Instruments & Instrumentation GA DD5XP UT WOS:000369998500042 ER PT J AU Chefdeville, M Karyotakis, Y Repond, J Schlereth, J Xia, L Eigen, G Marshall, JS Thomson, MA Ward, DR Tehrani, NA Apostolakis, J Dannheim, D Elsener, K Folger, G Grefe, C Ivantchenko, V Killenberg, M Klempt, W van der Kraaij, E Linssen, L Lucaci-Timoce, AI Munnich, A Poss, S Ribon, A Roloff, P Sailer, A Schlatter, D Sicking, E Strube, J Uzhinskiy, V Chang, S Khan, A Kim, DH Kong, DJ Oh, YD Blazey, GC Dyshkant, A Francis, K Zutshi, V Giraud, J Grondin, D Hostachy, JY Brianne, E Cornett, U David, D Falley, G Gadow, K Gottlicher, P Gunter, C Hartbrich, O Hermberg, B Irles, A Karstensen, S Krivan, F Kruger, K Kvasnicka, J Lu, S Lutz, B Morozov, S Morgunov, V Neubuser, C Provenza, A Reinecke, M Sefkow, F Smirnov, P Terwort, M Tran, HL Vargas-Trevino, A Garutti, E Laurien, S Matysek, M Ramilli, M Schroder, S Briggl, K Eckert, P Harion, T Munwes, Y Schultz-Coulon, HC Shen, W Stamen, R Bilki, B Onel, Y Kawagoe, K Hirai, H Sudo, Y Suehara, T Sumida, H Takada, S Tomita, T Yoshioka, T Wing, M Alamillo, EC Fouz, MC Marin, J Puerta-Pelayo, J Verdugo, A Bobchenko, B Chadeeva, M Danilov, M Markin, O Mizuk, R Novikov, E Rusinov, V Tarkovsky, E Kirikova, N Kozlov, V Smirnov, P Soloviev, Y Besson, D Buzhan, P Popova, E Gabriel, M Kiesling, C van der Kolk, N Seidel, K Simon, F Soldner, C Szalay, M Tesar, M Weuste, L Amjad, MS Bonis, J Cornebise, P Richard, F Poschl, R Rouene, J Thiebault, A Anduze, M Balagura, V Boudry, V Brient, JC Cizel, JB Cornat, R Frotin, M Gastaldi, F Haddad, Y Magniette, F Nanni, J Pavy, S Rubio-Roy, M Shpak, K Tran, TH Videau, H Yu, D Callier, S di Lorenzo, SC Dulucq, F Fleury, J Martin-Chassard, G de la Taille, C Raux, L Seguin-Moreau, N Cvach, J Gallus, P Havranek, M Janata, M Kovalcuk, M Kvasnicka, J Lednicky, D Marcisovsky, M Polak, I Popule, J Tomasek, L Tomasek, M Ruzicka, P Sicho, P Smolik, J Vrba, V Zalesak, J Ieki, S Kamiya, Y Ootani, W Shibata, N Chen, S Jeans, D Komamiya, S Kozakai, C Nakanishi, H Gotze, M Sauer, J Weber, S Zeitnitz, C AF Chefdeville, M. Karyotakis, Y. Repond, J. Schlereth, J. Xia, L. Eigen, G. Marshall, J. S. Thomson, M. A. Ward, D. R. Tehrani, N. Alipour Apostolakis, J. Dannheim, D. Elsener, K. Folger, G. Grefe, C. Ivantchenko, V. Killenberg, M. Klempt, W. van der Kraaij, E. Linssen, L. Lucaci-Timoce, A. -I. Muennich, A. Poss, S. Ribon, A. Roloff, P. Sailer, A. Schlatter, D. Sicking, E. Strube, J. Uzhinskiy, V. Chang, S. Khan, A. Kim, D. H. Kong, D. J. Oh, Y. D. Blazey, G. C. Dyshkant, A. Francis, K. Zutshi, V. Giraud, J. Grondin, D. Hostachy, J. -Y. Brianne, E. Cornett, U. David, D. Falley, G. Gadow, K. Goettlicher, P. Guenter, C. Hartbrich, O. Hermberg, B. Irles, A. Karstensen, S. Krivan, F. Krueger, K. Kvasnicka, J. Lu, S. Lutz, B. Morozov, S. Morgunov, V. Neubueser, C. Provenza, A. Reinecke, M. Sefkow, F. Smirnov, P. Terwort, M. Tran, H. L. Vargas-Trevino, A. Garutti, E. Laurien, S. Matysek, M. Ramilli, M. Schroeder, S. Briggl, K. Eckert, P. Harion, T. Munwes, Y. Schultz-Coulon, H. -Ch. Shen, W. Stamen, R. Bilki, B. Onel, Y. Kawagoe, K. Hirai, H. Sudo, Y. Suehara, T. Sumida, H. Takada, S. Tomita, T. Yoshioka, T. Wing, M. Alamillo, E. Calvo Fouz, M. -C. Marin, J. Puerta-Pelayo, J. Verdugo, A. Bobchenko, B. Chadeeva, M. Danilov, M. Markin, O. Mizuk, R. Novikov, E. Rusinov, V. Tarkovsky, E. Kirikova, N. Kozlov, V. Smirnov, P. Soloviev, Y. Besson, D. Buzhan, P. Popova, E. Gabriel, M. Kiesling, C. van der Kolk, N. Seidel, K. Simon, F. Soldner, C. Szalay, M. Tesar, M. Weuste, L. Amjad, M. S. Bonis, J. Cornebise, P. Richard, F. Poeschl, R. Rouene, J. Thiebault, A. Anduze, M. Balagura, V. Boudry, V. Brient, J-C. Cizel, J-B. Cornat, R. Frotin, M. Gastaldi, F. Haddad, Y. Magniette, F. Nanni, J. Pavy, S. Rubio-Roy, M. Shpak, K. Tran, T. H. Videau, H. Yu, D. Callier, S. di Lorenzo, S. Conforti Dulucq, F. Fleury, J. Martin-Chassard, G. de la Taille, Ch. Raux, L. Seguin-Moreau, N. Cvach, J. Gallus, P. Havranek, M. Janata, M. Kovalcuk, M. Kvasnicka, J. Lednicky, D. Marcisovsky, M. Polak, I. Popule, J. Tomasek, L. Tomasek, M. Ruzicka, P. Sicho, P. Smolik, J. Vrba, V. Zalesak, J. Ieki, S. Kamiya, Y. Ootani, W. Shibata, N. Chen, S. Jeans, D. Komamiya, S. Kozakai, C. Nakanishi, H. Goetze, M. Sauer, J. Weber, S. Zeitnitz, C. CA CALICE Collaboration TI Shower development of particles with momenta from 15 GeV to 150GeV in the CALICE scintillator-tungsten hadronic calorimeter SO JOURNAL OF INSTRUMENTATION LA English DT Article DE Calorimeter methods; Detector modelling and simulations I (interaction of radiation with matter, interaction of hotons with matter, interaction of hadrons with matter, etc); Particle identification methods AB We present a study of showers initiated by electrons, pions, kaons, and protons with momenta from 15 GeV to 150 GeV in the highly granular CALICE scintillator-tungsten analogue hadronic calorimeter. The data were recorded at the CERN Super Proton Synchrotron in 2011. The analysis includes measurements of the calorimeter response to each particle type as well as measurements of the energy resolution and studies of the longitudinal and radial shower development for selected particles. The results are compared to Geant4 simulations (version 9.6.p02). In the study of the energy resolution we include previously published data with beam momenta from 1 GeV to 10 GeV recorded at the CERN Proton Synchrotron in 2010. C1 [Chefdeville, M.; Karyotakis, Y.] Univ Savoie, CNRS, IN2P3, Lab Annecy le Vieux Phys Particules, 9 Chemin Bellevue,BP110, F-74941 Annecy Le Vieux, France. [Repond, J.; Schlereth, J.; Xia, L.] Argonne Natl Lab, Argonne, IL 60439 USA. [Eigen, G.] Univ Bergen, Inst Phys, N-5007 Bergen, Norway. [Marshall, J. S.; Thomson, M. A.; Ward, D. R.] Univ Bergen, Inst Phys, N-5007 Bergen, Norway. [Tehrani, N. Alipour; Apostolakis, J.; Dannheim, D.; Elsener, K.; Folger, G.; Grefe, C.; Ivantchenko, V.; Killenberg, M.; Klempt, W.; van der Kraaij, E.; Linssen, L.; Lucaci-Timoce, A. -I.; Muennich, A.; Poss, S.; Ribon, A.; Roloff, P.; Sailer, A.; Schlatter, D.; Sicking, E.; Strube, J.; Uzhinskiy, V.] CERN, CH-1211 Geneva 23, Switzerland. [Chang, S.; Khan, A.; Kim, D. H.; Kong, D. J.; Oh, Y. D.] Kyungpook Natl Univ, Dept Phys, Daegu 702701, South Korea. [Blazey, G. C.; Dyshkant, A.; Francis, K.; Zutshi, V.] No Illinois Univ, Dept Phys, NICADD, De Kalb, IL 60115 USA. [Giraud, J.; Grondin, D.; Hostachy, J. -Y.] Univ Grenoble Alpes, CNRS, IN2P3, Lab Phys Subatom & Cosmol, Grenoble, France. [Brianne, E.; Cornett, U.; David, D.; Falley, G.; Gadow, K.; Goettlicher, P.; Guenter, C.; Hartbrich, O.; Hermberg, B.; Irles, A.; Karstensen, S.; Krivan, F.; Krueger, K.; Kvasnicka, J.; Lu, S.; Lutz, B.; Morozov, S.; Morgunov, V.; Neubueser, C.; Provenza, A.; Reinecke, M.; Sefkow, F.; Smirnov, P.; Terwort, M.; Tran, H. L.; Vargas-Trevino, A.] DESY, Notkestr 85, D-22603 Hamburg, Germany. [Garutti, E.; Laurien, S.; Matysek, M.; Ramilli, M.; Schroeder, S.] 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. [Bilki, B.; Onel, Y.] Univ Iowa, Dept Phys & Astron, Iowa City, IA 52242 USA. [Kawagoe, K.; Hirai, H.; Sudo, Y.; Suehara, T.; Sumida, H.; Takada, S.; Tomita, T.; Yoshioka, T.] Kyushu Univ, Dept Phys, Fukuoka 8128581, Japan. [Wing, M.] UCL, Dept Phys & Astron, London WC1E 6BT, England. [Alamillo, E. Calvo; Fouz, M. -C.; Marin, J.; Puerta-Pelayo, J.; Verdugo, A.] CIEMAT, Ctr Invest Energet Medioambientales & Tecnol, E-28040 Madrid, Spain. [Bobchenko, B.; Chadeeva, M.; Danilov, M.; Markin, O.; Mizuk, R.; Novikov, E.; Rusinov, V.; Tarkovsky, E.] Inst Theoret & Expt Phys, RU-117218 Moscow, Russia. [Kirikova, N.; Kozlov, V.; Smirnov, P.; Soloviev, Y.] Russian Acad Sci, PN Lebedev Phys Inst, Moscow 117924, Russia. [Besson, D.; Buzhan, P.; Popova, E.] Natl Res Nucl Univ, MEPhI Moscow Engn Phys Inst, Moscow 115409, Russia. [Gabriel, M.; Kiesling, C.; van der Kolk, N.; Seidel, K.; Simon, F.; Soldner, C.; Szalay, M.; Tesar, M.; Weuste, L.] Max Planck Inst Phys & Astrophys, D-80805 Munich, Germany. [Amjad, M. S.; Bonis, J.; Cornebise, P.; Richard, F.; Poeschl, R.; Rouene, J.; Thiebault, A.] Univ Paris 11, Ctr Orsay, Lab Accelerateur Lineaire, F-91898 Orsay, France. [Anduze, M.; Balagura, V.; Boudry, V.; Brient, J-C.; Cizel, J-B.; Cornat, R.; Frotin, M.; Gastaldi, F.; Haddad, Y.; Magniette, F.; Nanni, J.; Pavy, S.; Rubio-Roy, M.; Shpak, K.; Tran, T. H.; Videau, H.; Yu, D.] Ecole Polytech, CNRS, IN2P3, LLR, F-91128 Palaiseau, France. [Callier, S.; di Lorenzo, S. Conforti; Dulucq, F.; Fleury, J.; Martin-Chassard, G.; de la Taille, Ch.; Raux, L.; Seguin-Moreau, N.] Ecole Polytech, CNRS, IN2P3, OMEGA Microelect, F-91128 Palaiseau, France. [Cvach, J.; Gallus, P.; Havranek, M.; Janata, M.; Kovalcuk, M.; Kvasnicka, J.; Lednicky, D.; Marcisovsky, M.; Polak, I.; Popule, J.; Tomasek, L.; Tomasek, M.; Ruzicka, P.; Sicho, P.; Smolik, J.; Vrba, V.; Zalesak, J.] Acad Sci Czech Republic, Inst Phys, CZ-18221 Prague 8, Czech Republic. [Ieki, S.; Kamiya, Y.; Ootani, W.; Shibata, N.] Univ Tokyo, ICEPP, Bunkyo Ku, Tokyo 1130033, Japan. [Chen, S.; Jeans, D.; Komamiya, S.; Kozakai, C.; Nakanishi, H.] Univ Tokyo, Grad Sch Sci, Dept Phys, Bunkyo Ku, Tokyo 1130033, Japan. [Goetze, M.; Sauer, J.; Weber, S.; Zeitnitz, C.] Berg Univ Wuppertal, Fachbereich Phys 8, D-42097 Wuppertal, Germany. [Kvasnicka, J.] IPASCR Prague, Prague, Czech Republic. [Morgunov, V.] ITEP, Moscow, Russia. [Bobchenko, B.; Chadeeva, M.; Danilov, M.; Markin, O.; Mizuk, R.; Rusinov, V.; Tarkovsky, E.] NRNU MEPhI, Moscow, Russia. [Komamiya, S.] Univ Tokyo, ICEPP, Tokyo 1138654, Japan. RP Sicking, E (reprint author), CERN, CH-1211 Geneva 23, Switzerland. EM eva.sicking@cern.ch RI 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; Kirikova, Nataliia/N-1710-2015; Kozlov, Valentin/M-8000-2015; Soloviev, Yury/M-8788-2015; Kamiya, Yoshio/L-4394-2014; Cvach, Jaroslav/G-6269-2014; Chadeeva, Marina/C-8789-2016; van der Kolk, Naomi/M-9423-2016 OI Danilov, Mikhail/0000-0001-9227-5164; Calvo Alamillo, Enrique/0000-0002-1100-2963; Verdugo de Osa, Antonio/0000-0003-3619-9675; Soloviev, Yury/0000-0003-1136-2827; Kamiya, Yoshio/0000-0001-8716-2536; Chadeeva, Marina/0000-0003-1814-1218; van der Kolk, Naomi/0000-0002-8670-0408 FU European Commission [262025]; Bundesministerium fur Bildung und Forschung, Germany; DFG cluster of excellence 'Origin and Structure of the Universe' of Germany; Helmholtz-Nachwuchsgruppen [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, LG14033, LA09042]; Science and Technology Facilities Council, UK FX We 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 European Commission under the FP7 Research Infrastructures project AIDA, grant agreement no. 262025; by the Bundesministerium fur Bildung und Forschung, Germany; by 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, LG14033 and LA09042; and by the Science and Technology Facilities Council, UK. NR 21 TC 0 Z9 0 U1 2 U2 12 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 DEC PY 2015 VL 10 AR P12006 DI 10.1088/1748-0221/10/12/P12006 PG 34 WC Instruments & Instrumentation SC Instruments & Instrumentation GA DD5XP UT WOS:000369998500039 ER PT J AU Dhar, A Loach, JC Barton, PJ Larsen, JT Poon, AWP AF Dhar, A. Loach, J. C. Barton, P. J. Larsen, J. T. Poon, A. W. P. TI Low-background temperature sensors fabricated on parylene substrates SO JOURNAL OF INSTRUMENTATION LA English DT Article DE Double-beta decay detectors; Dark Matter detectors (WIMPs, axions, etc.); Cryogenic detectors; Special cables AB Temperature sensors fabricated from ultra-low radioactivity materials have been developed for low-background experiments searching for neutrinoless double-beta decay and the interactions of WIMP dark matter. The sensors consist of electrical traces photolithographically-patterned onto substrates of vapor-deposited parylene. They are demonstrated to function as expected, to do so reliably and robustly, and to be highly radio-pure. This work is a proof-of-concept study of a technology that can be applied to broad class of electronic circuits used in low-background experiments. C1 [Dhar, A.; Loach, J. C.; Barton, P. J.; Poon, A. W. P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Nucl Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA. [Dhar, A.; Loach, J. C.; Barton, P. J.; Poon, A. W. P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Inst Nucl & Particle Astrophys, Berkeley, CA 94720 USA. [Loach, J. C.] Shanghai Jiao Tong Univ, INPAC, Shanghai 200240, Peoples R China. [Loach, J. C.] Shanghai Jiao Tong Univ, Dept Phys, Shanghai 200240, Peoples R China. [Larsen, J. T.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Loach, JC (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Nucl Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM james.loach@sjtu.edu.cn RI Dhar, Ankur/B-7177-2015 OI Dhar, Ankur/0000-0001-8988-1358 FU U.S. Department of Energy, Office of Science, Office of Nuclear Physics [DE-AC02-05CH11231]; Shanghai Key Lab for Particle Physics and Cosmology (SKLPPC) [15DZ2272100] FX This work was supported by the U.S. Department of Energy, Office of Science, Office of Nuclear Physics, under Contract No. DE-AC02-05CH11231 and by the Shanghai Key Lab for Particle Physics and Cosmology (SKLPPC), Grant No. 15DZ2272100. NR 7 TC 1 Z9 1 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 DEC PY 2015 VL 10 AR P12002 DI 10.1088/1748-0221/10/12/P12002 PG 11 WC Instruments & Instrumentation SC Instruments & Instrumentation GA DD5XP UT WOS:000369998500035 ER PT J AU Galib, S Islam, F Abir, M Lee, HK AF Galib, S. Islam, F. Abir, M. Lee, H. K. TI Computer aided detection of oral lesions on CT images SO JOURNAL OF INSTRUMENTATION LA English DT Article; Proceedings Paper CT International Workshop on Imaging CY SEP 07-10, 2015 CL Varenna, ITALY DE Medical-image reconstruction methods and algorithms; computer-aided diagnosis; Medical-image reconstruction methods and algorithms; computer-aided software; Computerized Tomography (CT) and Computed Radiography (CR) ID CARIES; RADIOGRAPHS; DIAGNOSIS AB Oral lesions are important findings on computed tomography (CT) images. In this study, a fully automatic method to detect oral lesions in mandibular region from dental CT images is proposed. Two methodswere developed to recognize two types of lesions namely (1) Close border (CB) lesions and (2) Open border (OB) lesions, which cover most of the lesion types that can be found on CT images. For the detection of CB lesions, fifteen featureswere extracted from each initial lesion candidates and multi layer perceptron (MLP) neural network was used to classify suspicious regions. Moreover, OB lesions were detected using a rule based image processing method, where no feature extraction or classification algorithm were used. The results were validated using a CT dataset of 52 patients, where 22 patients had abnormalities and 30 patients were normal. Using non-training dataset, CB detection algorithm yielded 71% sensitivity with 0.31 false positives per patient. Furthermore, OB detection algorithm achieved 100% sensitivity with 0.13 false positives per patient. Results suggest that, the proposed framework, which consists of two methods, has the potential to be used in clinical context, and assist radiologists for better diagnosis. C1 [Galib, S.; Islam, F.; Lee, H. K.] Missouri Univ Sci & Technol, Dept Min & Nucl Engn, 301 W 14th St, Rolla, MO 65409 USA. [Abir, M.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Lee, HK (reprint author), Missouri Univ Sci & Technol, Dept Min & Nucl Engn, 301 W 14th St, Rolla, MO 65409 USA. EM leehk@mst.edu NR 15 TC 0 Z9 0 U1 0 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 DEC PY 2015 VL 10 AR C12030 DI 10.1088/1748-0221/10/12/C12030 PG 13 WC Instruments & Instrumentation SC Instruments & Instrumentation GA DD5XP UT WOS:000369998500030 ER PT J AU Krohn, M Bentele, B Christian, DC Cumalat, JP Deptuch, G Fahim, F Hoff, J Shenai, A Wagner, SR AF Krohn, M. Bentele, B. Christian, D. C. Cumalat, J. P. Deptuch, G. Fahim, F. Hoff, J. Shenai, A. Wagner, S. R. TI Radiation tolerance of 65 nm CMOS transistors SO JOURNAL OF INSTRUMENTATION LA English DT Article DE Radiation-hard electronics; Front-end electronics for detector readout AB We report on the effects of ionizing radiation on 65 nm CMOS transistors held at approximately -20 degrees C during irradiation. The pattern of damage observed after a total dose of 1 Grad is similar to damage reported in room temperature exposures, but we observe less damage than was observed at room temperature. C1 [Krohn, M.; Bentele, B.; Cumalat, J. P.; Wagner, S. R.] Univ Colorado, Dept Phys, Boulder, CO 80309 USA. [Christian, D. C.; Deptuch, G.; Fahim, F.; Hoff, J.; Shenai, A.] Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. RP Christian, DC (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM dcc@fnal.gov FU Department of Energy [DE-SC0006963]; United States Department of Energy [DE-AC02-07CH11359] FX We wish to thank Charles Bowen of the University of Colorado Department of Physics Precision Machine Shop, Nina Moibenko of Fermilab's Electrical Engineering Department, and Donald Hanson, Maryla Wasiolek, and Nathan Hart of the Sandia National Laboratories Gamma Irradiation Facility. This work was supported in part by Department of Energy grant (DE-SC0006963). Fermilab is operated by Fermi Research Alliance, LLC under Contract No. DE-AC02-07CH11359 with the United States Department of Energy. NR 8 TC 1 Z9 1 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 DEC PY 2015 VL 10 AR P12007 DI 10.1088/1748-0221/10/12/P12007 PG 14 WC Instruments & Instrumentation SC Instruments & Instrumentation GA DD5XP UT WOS:000369998500040 ER PT J AU Wang, ZH AF Wang, Zhehui TI On the Single-Photon-Counting (SPC) modes of imaging using an XFEL source SO JOURNAL OF INSTRUMENTATION LA English DT Article; Proceedings Paper CT 17th International Workshop on Radiation Imaging Detectors CY JUN 28-JUL 02, 2015 CL DESY, Hamburg, GERMANY HO DESY DE X-ray detectors; Hybrid detectors ID X-RAY-DIFFRACTION; DETECTORS; TIME; 3D AB The requirements to achieve high detection efficiency (above 50%) and gigahertz (GHz) frame rate for the proposed 42-keVX-ray free-electron laser (XFEL) at Los Alamos are summarized. Direct detection scenarios using C (diamond), Si, Ge and GaAs semiconductor sensors are analyzed. Single-photon counting (SPC) mode andweak SPC mode using Si can potentially meet the efficiency and frame rate requirements and be useful to both photoelectric absorption and Compton physics as the photon energy increases. Multilayer three-dimensional (3D) detector architecture, as a possible means to realize SPC modes, is compared with the widely used two-dimensional (2D) hybrid planar electrode structure and 3D deeply entrenched electrode architecture. Demonstration of thin film cameras less than 100-mu m thick with onboard thin ASICs could be an initial step to realize multilayer 3D detectors and SPC modes for XFELs. C1 [Wang, Zhehui] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. RP Wang, ZH (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM zwang@lanl.gov NR 29 TC 1 Z9 1 U1 1 U2 5 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 DEC PY 2015 VL 10 AR C12013 DI 10.1088/1748-0221/10/12/C12013 PG 11 WC Instruments & Instrumentation SC Instruments & Instrumentation GA DD5XP UT WOS:000369998500013 ER PT J AU Roberto, JB Alexander, CW Boll, RA Burns, JD Ezold, JG Felker, LK Hogle, SL Rykaczewski, KP AF Roberto, J. B. Alexander, C. W. Boll, R. A. Burns, J. D. Ezold, J. G. Felker, L. K. Hogle, S. L. Rykaczewski, K. P. TI Actinide targets for the synthesis of super-heavy elements SO NUCLEAR PHYSICS A LA English DT Article DE Actinide; Actinide target; Super-heavy element; Berkelium; Californium; Einsteinium ID DEPOSITION; IDENTIFICATION; SEPARATION; GRAPHENE; ISOTOPE; TASCA; WHEEL; DECAY AB Since 2000, six new super-heavy elements with atomic numbers 1 1 3 through 118 have been synthesized in hot fusion reactions of Ca-48 beams on actinide targets. These target materials, including Pu-242 Pu-244, Am-243, Cm-245, Cm-248, Cf-249, and Bk-249, are available in very limited quantities and require specialized production and processing facilities resident in only a few research centers worldwide. This report describes the production and chemical processing of heavy actinide materials for super-heavy element research, current availabilities of these materials, and related target fabrication techniques. The impact of actinide materials in super -heavy element discovery is reviewed, and strategies for enhancing the production of rare actinides including Bk-249, Cf-251, and Es-254 are described. (C) 2015 Elsevier B.V. All rights reserved. C1 [Roberto, J. B.; Alexander, C. W.; Boll, R. A.; Burns, J. D.; Ezold, J. G.; Felker, L. K.; Hogle, S. L.; Rykaczewski, K. P.] Oak Ridge Natl Lab, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. RP Roberto, JB (reprint author), Oak Ridge Natl Lab, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM robertojb@oml.gov RI Burns, Jonathan/O-2028-2015; Boll, Rose/C-4138-2016 OI Burns, Jonathan/0000-0003-0301-9607; Roberto, James/0000-0002-4234-0252; Ezold, Julie/0000-0002-5055-0022; Boll, Rose/0000-0003-2507-4834 FU U.S. Department of Energy, Office of Science, Office of Nuclear Physics, Isotope Development and Production for Research and Applications Program [DE-AC05-00OR22725]; UT Battelle, LLC FX This material is based upon work supported by the U.S. Department of Energy, Office of Science, Office of Nuclear Physics, Isotope Development and Production for Research and Applications Program, under contract DE-AC05-00OR22725 with UT Battelle, LLC. We are grateful to the staffs of the ORNL Radiochemical Engineering Development Center and the ORNL High Flux Isotope Reactor, a DOE Office of Science, Office of Basic Energy Sciences User Facility, for their support in the production and chemical separation of actinide materials. We also thank our many collaborators at the Flerov Laboratory of Nuclear Reactions (JINR, Dubna, Russia), GSI (Darmstadt, Germany), University of Mainz (Mainz, Germany), Lawrence Livermore National Laboratory, Vanderbilt University, and the University of Tennessee-Knoxville, without whom this research would not have been possible. NR 74 TC 7 Z9 7 U1 2 U2 10 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0375-9474 EI 1873-1554 J9 NUCL PHYS A JI Nucl. Phys. A PD DEC PY 2015 VL 944 BP 99 EP 116 DI 10.1016/j.nuclphysa.2015.06.009 PG 18 WC Physics, Nuclear SC Physics GA DD2SY UT WOS:000369773700006 ER PT J AU Kratz, JV Loveland, W Moody, KJ AF Kratz, J. V. Loveland, W. Moody, K. J. TI Syntheses of transuranium isotopes with atomic numbers Z <= 103 in multi-nucleon transfer reactions SO NUCLEAR PHYSICS A LA English DT Article DE Quasi-elastic and complex transfer reactions; Multi-nucleon transfer reactions with the heaviest projectiles; Energy dissipation; Survival probabilities against fission; Theoretical predictions; Experimental challenges ID HEAVY-ION COLLISIONS; EXCITATION-ENERGY DIVISION; MASS-YIELD DISTRIBUTIONS; 2-NUCLEON TRANSFER-REACTIONS; TRANSFER CROSS-SECTIONS; VELOCITY FILTER SHIP; ACTINIDE PRODUCTION; NEUTRON TRANSFER; SUPERHEAVY ELEMENTS; COULOMB BARRIER AB In Section I we will discuss multi-nucleon transfer reactions with light heavy ions, which can be thought of as competing with complete fusion at higher impact parameters. Quasi-elastic and multi-nucleon transfer reactions with the heaviest projectiles will be discussed in Section 2. In Section 3 we will cover recent developments focusing on theoretical predictions of cross sections of superheavy nuclei, cover some new possibilities and look into the existing experimental challenges. (C) 2015 Elsevier B.V. All rights reserved. C1 [Kratz, J. V.] Johannes Gutenberg Univ Mainz, Inst Nucl Chem, D-55128 Mainz, Germany. [Loveland, W.] Oregon State Univ, Dept Chem, Corvallis, OR 97331 USA. [Moody, K. J.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Kratz, JV (reprint author), Johannes Gutenberg Univ Mainz, Inst Nucl Chem, D-55128 Mainz, Germany. EM jvkratz@uni-mainz.de NR 127 TC 0 Z9 0 U1 2 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0375-9474 EI 1873-1554 J9 NUCL PHYS A JI Nucl. Phys. A PD DEC PY 2015 VL 944 BP 117 EP 157 DI 10.1016/j.nuclphysa.2015.06.004 PG 41 WC Physics, Nuclear SC Physics GA DD2SY UT WOS:000369773700007 ER PT J AU Theisen, C Greenlees, PT Khoo, TL Chowdhury, P Ishii, T AF Theisen, Ch. Greenlees, P. T. Khoo, T. -L. Chowdhury, P. Ishii, T. TI In-beam spectroscopy of heavy elements SO NUCLEAR PHYSICS A LA English DT Article DE In-beam spectroscopy; Heavy elements; Superheavy elements; Nuclear structure; Isomeric states ID FILLED RECOIL SEPARATOR; GAMMA-RAY SPECTROSCOPY; SINGLE-PARTICLE STATES; ALPHA-DECAY PROPERTIES; SUPERDEFORMED NUCLEI; EINSTEINIUM ISOTOPES; SUPERHEAVY NUCLEI; ROTATIONAL BANDS; MASS ANALYZER; MEAN-FIELD AB Traditionally the experimental study of heavy and superheavy elements has belonged to the realm of decay spectroscopy and nuclear reactions. Only in the past twenty years or so has it become feasible to study nuclei with Z = 96 and beyond with in-beam spectroscopic techniques. Since the pioneering studies in the late 1990s, development of both instrumentation and experimental techniques has resulted in a significant lowering of the spectroscopic limit for in-beam measurements. Such measurements give access to a wide range of nuclear structure observables which in general are beyond the reach of other techniques. The current review aims to present the most recent developments and results in the field, building upon previous reviews with a similar theme. (C) 2015 Elsevier B.V. All rights reserved. C1 [Theisen, Ch.] CEA, Ctr Saclay, IRFU Serv Phys Nucl, F-91191 Gif Sur Yvette, France. [Greenlees, P. T.] Univ Jyvaskyla, Dept Phys, FI-40014 Jyvaskyla, Finland. [Khoo, T. -L.] Argonne Natl Lab, Argonne, IL 60439 USA. [Chowdhury, P.] Univ Massachusetts, Lowell, MA 01854 USA. [Ishii, T.] Japan Atom Energy Agcy, Adv Sci Res Ctr, Tokai, Ibaraki 3191195, Japan. RP Theisen, C (reprint author), CEA, Ctr Saclay, IRFU Serv Phys Nucl, F-91191 Gif Sur Yvette, France. EM christophe.theisen@cea.fr RI THEISEN, Christophe/A-9343-2015 OI THEISEN, Christophe/0000-0002-8509-1022 FU U.S. Department of Energy, Office of Science, Office of Nuclear Physics [DE-FG02-94ER40848, DE-AC02-06CH11357] FX Some of this material is based upon work supported by the U.S. Department of Energy, Office of Science, Office of Nuclear Physics, under award numbers DE-FG02-94ER40848 and contract number DE-AC02-06CH11357. Some of this research used resources of ANL's ATLAS facility, which is a DOE Office of Science user facility. We are grateful to R. Briselet for providing new data prior to publication. NR 172 TC 5 Z9 5 U1 2 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0375-9474 EI 1873-1554 J9 NUCL PHYS A JI Nucl. Phys. A PD DEC PY 2015 VL 944 BP 333 EP 375 DI 10.1016/j.nuclphysa.2015.07.014 PG 43 WC Physics, Nuclear SC Physics GA DD2SY UT WOS:000369773700015 ER PT J AU Cao, GQ He, LY AF Cao Gao-Qing He Lian-Yi TI Ginzburg-Landau Free Energy of Crystalline Color Superconductors: A Matrix Formalism from Solid-State Physics SO COMMUNICATIONS IN THEORETICAL PHYSICS LA English DT Article DE color superconductors; LOFF pairing; Ginzburg Landau free energy ID LARKIN-OVCHINNIKOV PHASES; DENSE QUARK MATTER; CRITICAL FIELD; QCD; TRANSITION; SEPARATION AB The Ginzburg Landau (GL) free energy of crystalline color superconductors is important for understanding the nature of the phase transition to the normal quark matter and predicting the preferred crystal structure. So far the GL free energy at zero temperature has only been evaluated up to the sixth order in the condensate. To give quantitative reliable predictions we need to evaluate the higher -order terms. In this work, we present a new derivation of the GL free energy by using the discrete Bloch representation of the fermion field. This derivation introduces a simple matrix formalism without any momentum constraint, which may enable us to calculate the GL free energy to arbitrary order by using a computer. C1 [Cao Gao-Qing] Tsinghua Univ, Dept Phys, Beijing 100084, Peoples R China. [Cao Gao-Qing] Collaborat Innovat Ctr Quantum Matter, Beijing 100084, Peoples R China. [He Lian-Yi] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Cao, GQ (reprint author), Tsinghua Univ, Dept Phys, Beijing 100084, Peoples R China. EM lianyi@lanl.gov RI He, Lianyi/G-5110-2010 OI He, Lianyi/0000-0002-9965-0446 FU National Natural Science Foundation of China [11335005]; Ministry of Science and Technology [2013CB922000, 2014CB845400]; US Department of Energy Topical Collaboration "Neutrinos and Nucleosynthesis in Hot and Dense Matter" FX Supported by the National Natural Science Foundation of China under Grant No. 11335005 and the Ministry of Science and Technology under Grant Nos. 2013CB922000 and 2014CB845400, and by the US Department of Energy Topical Collaboration "Neutrinos and Nucleosynthesis in Hot and Dense Matter" NR 47 TC 0 Z9 0 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0253-6102 EI 1572-9494 J9 COMMUN THEOR PHYS JI Commun. Theor. Phys. PD DEC 1 PY 2015 VL 64 IS 6 BP 687 EP 696 PG 10 WC Physics, Multidisciplinary SC Physics GA DC7VG UT WOS:000369428000014 ER PT J AU Kundu, J Stilck, JF Rajesh, R AF Kundu, Joyjit Stilck, Juergen F. Rajesh, R. TI Phase diagram of a bidispersed hard-rod lattice gas in two dimensions SO EPL LA English DT Article ID NEMATIC PHASE; RODLIKE PARTICLES; LIQUID-CRYSTALS; LONG RODS; TRANSITIONS; SYSTEMS; POLYDISPERSITY; EQUILIBRIA; SEPARATION; BEHAVIOR AB We obtain, using extensive Monte Carlo simulations, virial expansion and a high-density perturbation expansion about the fully packed monodispersed phase, the phase diagram of a system of bidispersed hard rods on a square lattice. We show numerically that when the length of the longer rods is 7, two continuous transitions may exist as the density of the longer rods is increased, keeping the density of shorter rods fixed: first from a low-density isotropic phase to a nematic phase, and second from the nematic to a high-density isotropic phase. The difference between the critical densities of the two transitions decreases to zero at a critical density of the shorter rods so that the fully packed phase is disordered for any composition. When both the rod lengths are larger than 6, we observe the existence of two transitions along the fully packed line as the composition is varied. Low-density virial expansion, truncated at the second virial coefficient, reproduces features of the first transition. By developing a high-density perturbation expansion, we show that when one of the rods is long enough, there will be at least two isotropic-nematic transitions along the fully packed line as the composition is varied. Copyright (C) EPLA, 2015 C1 [Kundu, Joyjit] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, 1 Cyclotron Rd, Berkeley, CA 94720 USA. [Stilck, Juergen F.] Univ Fed Fluminense, Inst Fis, BR-24210346 Niteroi, RJ, Brazil. [Stilck, Juergen F.] Univ Fed Fluminense, Natl Inst Sci & Technol Complex Syst, BR-24210346 Niteroi, RJ, Brazil. [Rajesh, R.] Inst Math Sci, Madras 600113, Tamil Nadu, India. RP Kundu, J (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, 1 Cyclotron Rd, Berkeley, CA 94720 USA. RI Stilck, Jurgen/F-2376-2014 OI Stilck, Jurgen/0000-0002-3204-1953 NR 52 TC 1 Z9 1 U1 0 U2 3 PU EPL ASSOCIATION, EUROPEAN PHYSICAL SOCIETY PI MULHOUSE PA 6 RUE DES FRERES LUMIERE, MULHOUSE, 68200, FRANCE SN 0295-5075 EI 1286-4854 J9 EPL-EUROPHYS LETT JI EPL PD DEC PY 2015 VL 112 IS 6 AR 66002 DI 10.1209/0295-5075/112/66002 PG 6 WC Physics, Multidisciplinary SC Physics GA DC6BL UT WOS:000369304600016 ER PT J AU Quinn, DP Kaylor, SM Norton, TM Buhlmann, KA AF Quinn, Daniel P. Kaylor, S. Michelle Norton, Terry M. Buhlmann, Kurt A. TI NESTING MOUNDS WITH PROTECTIVE BOXES AND AN ELECTRIC WIRE AS TOOLS TO MITIGATE DIAMOND-BACKED TERRAPIN (MALACLEMYS TERRAPIN) NEST PREDATION SO HERPETOLOGICAL CONSERVATION AND BIOLOGY LA English DT Article DE nest box; nest excavation; nest mound; Procyon lotor; Raccoon ID TURTLE CONSERVATION; PROCYON-LOTOR; MORTALITY; FLORIDA; MANAGEMENT; CULVERTS; RACCOONS; HIGHWAY AB Diamond-backed Terrapin (Malaclemys terrapin) nests are susceptible to predation by a variety of mesopredators, predominately Raccoons (Procyon lotor). The Downing-Musgrove Causeway (DMC) leading to Jekyll Island, Georgia, USA, is a hot spot for nesting Diamond-backed Terrapins with road mortality and nest predation driving population declines. We designed and constructed artificial nest mounds with protective nest boxes to intercept female terrapins prior to accessing the causeway while simultaneously providing nest security from predators. Initial data indicated that terrapins nested on constructed nest mounds, but that predators were accessing nests within the boxes. In 2013, we used a battery and solar panel to electrify antipredator wiring that was placed along the entrances of connected nest boxes. We used time-lapse photography from wildlife cameras to document nesting terrapins and to estimate nest predation rates. We compared nest predation rates of electrified nest boxes to those without. Only one nest out of 27 was depredated in boxes with an electric wire. Conversely, 100% of known nests were depredated when no electric wire was present. We excavated nest boxes in autumn and/or spring and found high rates of egg survivorship and hatching success. The results of this study suggest that artificial nesting mounds can be used to promote recruitment of terrapins by protecting nests at local hotspots so long as proper defenses are in place. C1 [Quinn, Daniel P.; Kaylor, S. Michelle; Norton, Terry M.] Jekyll Isl Author, Georgia Sea Turtle Ctr, 214 Stable Rd, Jekyll Isl, GA 31527 USA. [Quinn, Daniel P.; Buhlmann, Kurt A.] Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29808 USA. RP Quinn, DP (reprint author), Jekyll Isl Author, Georgia Sea Turtle Ctr, 214 Stable Rd, Jekyll Isl, GA 31527 USA. EM dpq695@srel.uga.edu FU Department of Energy (DOE) [DE-FC09-07SR22506] FX We would like to thank the Jekyll Island Authority (JIA) for their support to conduct all aspects of this research; especially Cliff Gawron of the JIA for enabling construction of mounds and boxes. We thank Pete Wilson for providing insight on electric wire design, Brian Crawford for help in data collection, Kimberly Andrews, Ben Carswell, Tracey Tuberville, and the JIA for providing field equipment. We also thank the Georgia Sea Turtle Center staff and AmeriCorps Members, especially Simon Diltz, Lisa Rodriguez, and Anthony Gillis. Brian Crawford, Andrew Grosse, Robert Horan, and John Maerz helped build nest mounds and nest boxes. Rod Kennett, Ilse Keissling, Chris Buhlmann, Lance Paden, and Anthony Gillis helped excavate boxes to determine hatching success. Staff and volunteers of the Georgia Sea Turtle Center provided additional support throughout the study. All methods were conducted in accordance with the recommendations for humane treatment of these animals for research and have been approved by the University of Georgia Institution Animal Care and Use Committee (Animal Use Protocol no.: A2012 05-002-Y1-A0, expired 23 May 2015). Manuscript preparation was partially supported by Department of Energy (DOE) Award Number DE-FC09-07SR22506 to the University of Georgia's Savannah River Ecology Laboratory. NR 33 TC 0 Z9 0 U1 2 U2 8 PU HERPETOLOGICAL CONSERVATION & BIOLOGY PI CORVALLIS PA C/O R BRUCE BURY, USGS FOREST & RANGELAND, CORVALLIS, OR 00000 USA SN 2151-0733 EI 1931-7603 J9 HERPETOL CONSERV BIO JI Herpetol. Conserv. Biol. PD DEC PY 2015 VL 10 IS 3 BP 969 EP 977 PG 9 WC Zoology SC Zoology GA DC8YD UT WOS:000369505400017 ER PT J AU Hutton, F Spink, JH Griffin, D Kildea, S Bonner, D Doherty, G Hunter, A AF Hutton, F. Spink, J. H. Griffin, D. Kildea, S. Bonner, D. Doherty, G. Hunter, A. TI Distribution and incidence of viruses in Irish seed potato crops SO IRISH JOURNAL OF AGRICULTURAL AND FOOD RESEARCH LA English DT Article DE potato seed; potato virus; seed certification scheme; DAS-ELISA; aphid ID LINKED IMMUNOSORBENT-ASSAY; PLANT-VIRUSES; YN AB Virus diseases are of key importance in potato production and in particular for the production of disease-free potato seed. However, there is little known about the frequency and distribution of potato virus diseases in Ireland. Despite a large number of samples being tested each year, the data has never been collated either within or across years. Information from ail known potato virus testing carried out in the years 2006-2012 by the Department of Agriculture Food and Marine was collated to give an indication of the distribution and incidence of potato virus in Ireland. It was found that there was significant variation between regions, varieties, years and seed classes. A definition of daily weather data suitable for aphid flight was developed. which accounted for a significant proportion of the variation in virus incidence between years. This use of weather data to predict virus risk could be developed to form the basis of an integrated pest management approach for aphid control in Irish potato crops. C1 [Hutton, F.; Spink, J. H.; Griffin, D.; Kildea, S.] Teagasc, Crops Res Ctr, Oak Pk, Carlow, Ireland. [Bonner, D.; Doherty, G.] Tops Potato Ctr, Dept Agr Food & Marine, Raphoe, Donegal, Ireland. [Hunter, A.] Univ Coll Dublin, Sch Agr & Food Sci, Dublin 4, Ireland. RP Hutton, F (reprint author), Teagasc, Crops Res Ctr, Oak Pk, Carlow, Ireland. EM fiona.hutton@teagasc.ie NR 35 TC 0 Z9 0 U1 1 U2 6 PU TEAGASC PI CARLOW PA OAK PARK, CARLOW 00000, IRELAND SN 0791-6833 J9 IRISH J AGR FOOD RES JI Irish J. Agr. Food Res. PD DEC PY 2015 VL 54 IS 2 BP 98 EP 106 DI 10.1515/ijafr-2015-0011 PG 9 WC Agriculture, Multidisciplinary; Food Science & Technology SC Agriculture; Food Science & Technology GA DC6VA UT WOS:000369356500004 ER PT J AU Yu, J Li, LY Cao, JB Yuan, ZG Reeves, GD Baker, DN Blake, JB Spence, H AF Yu, J. Li, L. Y. Cao, J. B. Yuan, Z. G. Reeves, G. D. Baker, D. N. Blake, J. B. Spence, H. TI Multiple loss processes of relativistic electrons outside the heart of outer radiation belt during a storm sudden commencement SO JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS LA English DT Article ID WIND DYNAMIC PRESSURE; GEOMAGNETIC STORMS; ENERGETIC PARTICLE; DIFFUSION-COEFFICIENTS; INNER MAGNETOSPHERE; MAGNETIC-FIELD; EMIC WAVES; PRECIPITATION; ACCELERATION; SCATTERING AB By examining the compression-induced changes in the electron phase space density and pitch angle distribution observed by two satellites of Van Allen Probes (RBSP-A/B), we find that the relativistic electrons (>2 MeV) outside the heart of outer radiation belt (L*>= 5) undergo multiple losses during a storm sudden commencement. The relativistic electron loss mainly occurs in the field-aligned direction (pitch angle alpha<30 degrees or >150 degrees), and the flux decay of the field-aligned electrons is independent of the spatial location variations of the two satellites. However, the relativistic electrons in the pitch angle range of 30 degrees-150 degrees increase (decrease) with the decreasing (increasing) geocentric distance (vertical bar Delta L vertical bar<0.25) of the RBSP-B (RBSP-A) location, and the electron fluxes in the quasi-perpendicular direction display energy-dispersive oscillations in the Pc5 period range (2-10 min). The relativistic electron loss is confirmed by the decrease of electron phase space density at high-L shell after the magnetospheric compressions, and their loss is associated with the intense plasmaspheric hiss, electromagnetic ion cyclotron (EMIC) waves, relativistic electron precipitation (observed by POES/NOAA satellites at 850 km), and magnetic field fluctuations in the Pc5 band. The intense EMIC waves and whistler mode hiss jointly cause the rapidly pitch angle scattering loss of the relativistic electrons within 10 h. Moreover, the Pc5 ULF waves also lead to the slowly outward radial diffusion of the relativistic electrons in the high-L region with a negative electron phase space density gradient. C1 [Yu, J.; Li, L. Y.; Cao, J. B.] Beihang Univ, Sch Astronaut, Beijing 100191, Peoples R China. [Yuan, Z. G.] Wuhan Univ, Sch Elect Informat, Wuhan 430072, Peoples R China. [Reeves, G. D.] Los Alamos Natl Lab, Space Sci & Applicat Grp, Los Alamos, NM USA. [Baker, D. N.] Univ Colorado, Lab Atmospher & Space Phys, Boulder, CO 80309 USA. [Blake, J. B.] Aerosp Corp, Los Angeles, CA 90009 USA. [Spence, H.] Univ New Hampshire, Inst Study Earth Oceans & Space, Durham, NH 03824 USA. RP Li, LY (reprint author), Beihang Univ, Sch Astronaut, Beijing 100191, Peoples R China. EM lyli_ssri@buaa.edu.cn RI Reeves, Geoffrey/E-8101-2011 OI Reeves, Geoffrey/0000-0002-7985-8098 FU NSFC [41374165, 41431071]; JHU/APL under NASA [967399, NAS5-01072] FX This work is supported by NSFC (41374165, 41431071). Work by the RBSP-ECT team was supported by funding provided by the JHU/APL contract 967399 under NASA's Prime contract NAS5-01072. RBSP data are available at the Web http://www.rbsp-ect.lanl.gov/data_pub/ and https://emfisis.physics.uiowa.edu/. Solar wind and geomagnetic indices (Pd and HSYM) and GOES13-14 data are available at the Web http://cdaweb.gsfc.nasa.gov/sp_phys and http://satdat.ngdc.noaa.gov/sem/goes/data/. NOAA-POES data are available at the Web http://satdat.ngdc.noaa.gov/sem/poes/data. Geomagnetic field data from CARISMA station are avaiable at the Web http://www.carisma.ca. Authors thank the relevant staffs for all data used in this paper. We also thank W. Liu for helpful discussion. NR 53 TC 5 Z9 6 U1 2 U2 4 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 DEC PY 2015 VL 120 IS 12 BP 10275 EP 10288 DI 10.1002/2015JA021460 PG 14 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA DC4GZ UT WOS:000369180200011 ER PT J AU McGranaghan, R Knipp, DJ Matsuo, T Godinez, H Redmon, RJ Solomon, SC Morley, SK AF McGranaghan, Ryan Knipp, Delores J. Matsuo, Tomoko Godinez, Humberto Redmon, Robert J. Solomon, Stanley C. Morley, Steven K. TI Modes of high-latitude auroral conductance variability derived from DMSP energetic electron precipitation observations: Empirical orthogonal function analysis SO JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS LA English DT Article ID FIELD-ALIGNED CURRENTS; IONOSPHERIC ELECTRODYNAMICS; MAGNETOSPHERIC SUBSTORMS; IONIZATION RATES; CURRENT SYSTEMS; DOMINANT-MODES; E-REGION; CONDUCTIVITY; SECTOR; FLUX AB We provide the first ever characterization of the primary modes of ionospheric Hall and Pedersen conductance variability as empirical orthogonal functions (EOFs). These are derived from six satellite years of Defense Meteorological Satellite Program (DMSP) particle data acquired during the rise of solar cycles 22 and 24. The 60 million DMSP spectra were each processed through the Global Airlglow Model. Ours is the first large-scale analysis of ionospheric conductances completely free of assumption of the incident electron energy spectra. We show that the mean patterns and first four EOFs capture similar to 50.1 and 52.9% of the total Pedersen and Hall conductance variabilities, respectively. The mean patterns and first EOFs are consistent with typical diffuse auroral oval structures and quiet time strengthening/weakening of the mean pattern. The second and third EOFs show major disturbance features of magnetosphere-ionosphere (MI) interactions: geomagnetically induced auroral zone expansion in EOF2 and the auroral substorm current wedge in EOF3. The fourth EOFs suggest diminished conductance associated with ionospheric substorm recovery mode. We identify the most important modes of ionospheric conductance variability. Our results will allow improved modeling of the background error covariance needed for ionospheric assimilative procedures and improved understanding of MI coupling processes. C1 [McGranaghan, Ryan; Knipp, Delores J.] Univ Colorado, Aerosp Engn Sci, Boulder, CO 80309 USA. [Knipp, Delores J.; Solomon, Stanley C.] Natl Ctr Atmospher Res, High Altitude Observ, Boulder, CO 80307 USA. [Matsuo, Tomoko] Cooperat Inst Res Environm Sci, Boulder, CO USA. [Matsuo, Tomoko] NOAA, Boulder, CO USA. [Godinez, Humberto] Los Alamos Natl Lab, Appl Math & Plasma Phys T 5, Los Alamos, NM USA. [Redmon, Robert J.] NOAA, Natl Geophys Data Ctr, Boulder, CO 80303 USA. [Morley, Steven K.] Los Alamos Natl Lab, Space Sci & Applicat ISR 1, Los Alamos, NM USA. RP McGranaghan, R (reprint author), Univ Colorado, Aerosp Engn Sci, Boulder, CO 80309 USA. EM ryan.mcgranaghan@colorado.edu RI Solomon, Stanley/J-4847-2012; Morley, Steven/A-8321-2008 OI Solomon, Stanley/0000-0002-5291-3034; Morley, Steven/0000-0001-8520-0199 FU NSF [DGE 1144083, AGS 1025089, AGS 1144154, PLR 1443703]; NASA [NNX13AD64G, NNX14AI17G]; Vela Fellowship at the Los Alamos National Labs Space Weather Summer School; National Center for Atmospheric Research - National Science Foundation; [AFSORFA9550-12-1-0264] FX R.M.G. was partially supported by NSF Fellowship award DGE 1144083, NSF grant AGS 1025089, NASA grant NNX13AD64G, and the Vela Fellowship at the Los Alamos National Labs Space Weather Summer School. D.J.K. was partially supported by NSF grants AGS 1025089 and AGS 1144154, AFSORFA9550-12-1-0264, and NASA grant NNX13AD64G. T.M. was in part supported by NSF grants AGS 1025089 and PLR 1443703 and the NASA award NNX14AI17G. S.C.S. was supported by the National Center for Atmospheric Research, which is sponsored by the National Science Foundation. We acknowledge use of NASA/GSFC's Space Physics Data Facility's OMNIWeb service and NASA CDAWeb which provided the solar wind and DMSP 2010 data. The DMSP 1987 data can be accessed from http://satdat.ngdc.noaa.gov/dmsp/data/. The GLOW model code is archived on the NCAR High Performance Storage System and is available on request from Stanley C. Solomon, stans@ucar.edu. NCAR is sponsored by the NSF. The equal-area binning used in Figure 3 is performed via a routine developed by Astrid Maute at the National Center for Atmospheric Research High Altitude Observatory. We are grateful to Liam Kilcommons, Barbara Emery, and Ernie Holeman. We gratefully acknowledge the SuperMAG initiative and the SuperMAG collaborators for the index and substorm data used herein. NR 96 TC 3 Z9 3 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 DEC PY 2015 VL 120 IS 12 BP 11013 EP 11031 DI 10.1002/2015JA021828 PG 19 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA DC4GZ UT WOS:000369180200058 ER PT J AU Nesaraja, CD AF Nesaraja, C. D. TI Nuclear Data Sheets for A=241 SO NUCLEAR DATA SHEETS LA English DT Article ID SPONTANEOUSLY-FISSIONING ISOMERS; PU-241 HALF-LIFE; QUASI-PARTICLE STATES; ODD-A-NUCLEI; N-GAMMA-F; ALPHA-DECAY; ACTINIDE NUCLEI; EINSTEINIUM ISOTOPES; RADIOACTIVE DECAY; GROUND-STATE AB Available information pertaining to the nuclear structure of ground and excited states for all known nuclei with mass numbers A=241 have been compiled and evaluated. The adopted level and decay schemes, as well as the detailed nuclear properties and configuration assignments based on experimental data are presented for these nuclides. When there are insufficient data, expected values from systematics of nuclear properties or/and theoretical calculations are quoted. Unexpected or discrepant experimental results are also noted. A summary and compilation of the discovery of various isotopes in this mass region is given in 2013Fr02 (Np-241, Pu-241, Am-241, Cm-241, Bk-241, and Cf-241), 2011Me01 (Es-241), and 2013Th02 (Fm-241). C1 [Nesaraja, C. D.] Oak Ridge Natl Lab, Div Phys, POB 2008, Oak Ridge, TN 37831 USA. RP Nesaraja, CD (reprint author), Oak Ridge Natl Lab, Div Phys, POB 2008, Oak Ridge, TN 37831 USA. OI Nesaraja, Caroline/0000-0001-5571-8341 FU Office of Nuclear Physics, Office of Science, US Department of Energy [DE-AC05-00OR22725] FX Research sponsored by Office of Nuclear Physics, Office of Science, US Department of Energy under contract DE-AC05-00OR22725. NR 257 TC 2 Z9 2 U1 0 U2 0 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0090-3752 EI 1095-9904 J9 NUCL DATA SHEETS JI Nucl. Data Sheets PD DEC PY 2015 VL 130 BP 183 EP 252 DI 10.1016/j.nds.2015.11.004 PG 70 WC Physics, Nuclear SC Physics GA DC9CE UT WOS:000369517500004 ER PT J AU Woolley, RD AF Woolley, Robert D. TI OPTIMAL SHIELDING DESIGN FOR MINIMUM MATERIALS COST OR MASS SO NUCLEAR TECHNOLOGY LA English DT Article; Proceedings Paper CT 18th Topical Meeting of the Radiation Protection and Shielding Division of ANS CY SEP 14-18, 2014 CL Knoxville, TN SP Amer Nucl Soc, Oak Ridge Nat Lab, Varian, Secur & Inspect Prod, NSA Proven Effect Solut, Navarro Res & Eng Inc, Kirk Nucl Informat Serv, Univ Tennessee, Dept Nucl Engn DE shielding; optimization; Pontryagin ID PARTIAL-DIFFERENTIAL-EQUATIONS; PONTRYAGIN MAXIMUM PRINCIPLE; 1ST AB The mathematical underpinnings of cost optimal radiation shielding designs based on an extension of optimal control theory are presented, a heuristic algorithm to iteratively solve the resulting optimal design equations is suggested, and computational results for a simple test case are discussed. A typical radiation shielding design problem can have infinitely many solutions, all satisfying the problem's specified set of radiation attenuation requirements. Each such design has its own total materials cost. For a design to be optimal, no admissible change in its deployment of shielding materials can result in a lower cost. This applies in particular to very small changes, which can be restated using the calculus of variations as the Euler-Lagrange equations. The associated Hamiltonian function and application of Pontryagin's theorem lead to conditions for a shield to be optimal. C1 [Woolley, Robert D.] Princeton Univ, Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. RP Woolley, RD (reprint author), Princeton Univ, Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. EM woolley@pppl.gov NR 31 TC 0 Z9 0 U1 2 U2 2 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 0029-5450 EI 1943-7471 J9 NUCL TECHNOL JI Nucl. Technol. PD DEC PY 2015 VL 192 IS 3 SI SI BP 191 EP 207 PG 17 WC Nuclear Science & Technology SC Nuclear Science & Technology GA DC8ZN UT WOS:000369509800002 ER PT J AU McMath, GE McKinney, GW AF McMath, Garrett E. McKinney, Gregg W. TI ENHANCEMENTS TO THE MCNP6 BACKGROUND SOURCE SO NUCLEAR TECHNOLOGY LA English DT Article; Proceedings Paper CT 18th Topical Meeting of the Radiation Protection and Shielding Division of ANS CY SEP 14-18, 2014 CL Knoxville, TN SP Amer Nucl Soc, Oak Ridge Nat Lab, Varian, Secur & Inspect Prod, NSA Proven Effect Solut, Navarro Res & Eng Inc, Kirk Nucl Informat Serv, Univ Tennessee, Dept Nucl Engn DE MCNP6; cosmic ray; background AB The particle transport code MCNP has been used to produce a background radiation data file on a worldwide grid that can easily be sampled as a source in the code. Location-dependent cosmic showers were modeled by Monte Carlo methods to produce the resulting neutron and photon background flux at 2054 locations around Earth. An improved galactic-cosmic-ray feature was used to model the source term as well as data from multiple sources to model the transport environment through atmosphere, soil, and seawater. A new elevation scaling feature was also added to the code to increase the accuracy of the cosmic neutron background for user locations with off-grid elevations. Benchmarking has shown the neutron integral flux values to be within experimental error. C1 [McMath, Garrett E.; McKinney, Gregg W.] Los Alamos Natl Lab, MS P939, Los Alamos, NM 87545 USA. RP McMath, GE (reprint author), Los Alamos Natl Lab, MS P939, Los Alamos, NM 87545 USA. EM gem@lanl.gov FU U.S. Department of Homeland Security, Domestic Nuclear Detection Office [IAA HSHQDC-12-X-00251] FX This work was sponsored by the U.S. Department of Homeland Security, Domestic Nuclear Detection Office, under competitively awarded contract/IAA HSHQDC-12-X-00251. NR 20 TC 0 Z9 0 U1 1 U2 3 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 0029-5450 EI 1943-7471 J9 NUCL TECHNOL JI Nucl. Technol. PD DEC PY 2015 VL 192 IS 3 SI SI BP 232 EP 239 PG 8 WC Nuclear Science & Technology SC Nuclear Science & Technology GA DC8ZN UT WOS:000369509800006 ER PT J AU Miller, TM De Wet, WC Patton, BW AF Miller, Thomas M. De Wet, Wouter C. Patton, Bruce W. TI COMPUTATIONAL ASSESSMENT OF NATURALLY OCCURRING NEUTRON AND PHOTON BACKGROUND RADIATION PRODUCED BY EXTRATERRESTRIAL SOURCES SO NUCLEAR TECHNOLOGY LA English DT Article; Proceedings Paper CT 18th Topical Meeting of the Radiation Protection and Shielding Division of ANS CY SEP 14-18, 2014 CL Knoxville, TN SP Amer Nucl Soc, Oak Ridge Nat Lab, Varian, Secur & Inspect Prod, NSA Proven Effect Solut, Navarro Res & Eng Inc, Kirk Nucl Informat Serv, Univ Tennessee, Dept Nucl Engn DE galactic cosmic rays; background; Monte Carlo AB A computational assessment of the variation in terrestrial neutron and photon background from extraterrestrial sources is presented. The motivation of this assessment is to evaluate the practicality of developing a tool or database to estimate background in real time (or near-real time) during an experimental measurement or to even predict the background for future measurements. The extraterrestrial source focused on during this assessment is naturally occurring galactic cosmic rays (GCRs). The MCNP6 transport code was used to perform the computational assessment. However, the GCR source available in MCNP6 was not used. Rather, models developed and maintained by NASA were used to generate the GCR sources. The largest variation in both neutron and photon background spectra was found to be caused by changes in elevation on Earth's surface, which can be as large as an order of magnitude. All other perturbations produced background variations on the order of a factor of 3 or less. The most interesting finding was that similar to 80% and 50% of terrestrial background neutrons and photons, respectively, are generated by interactions in Earth's surface and other naturally occurring and man-made objects near a detector of particles from extraterrestrial sources and their progeny created in Earth's atmosphere. This assessment shows that it will be difficult to estimate the terrestrial background from extraterrestrial sources without a good understanding of a detector's surroundings. Therefore, estimating or predicting background during a measurement environment like a mobile random search will be difficult. C1 [Miller, Thomas M.; Patton, Bruce W.] Oak Ridge Natl Lab, POB 2008,MS 6170, Oak Ridge, TN 37831 USA. [De Wet, Wouter C.] Univ Tennessee, 315 Pasqua Nucl Engn Bldg, Knoxville, TN 37996 USA. RP Miller, TM (reprint author), Oak Ridge Natl Lab, POB 2008,MS 6170, Oak Ridge, TN 37831 USA. EM millertm@ornl.gov FU U.S. Department of Energy (DOE) National Nuclear Security Administration's Office of Defense Nuclear Nonproliferation Research and Development; UT-Battelle, LLC [DE-AC05-00OR22725]; DOE FX We wish to acknowledge the U.S. Department of Energy (DOE) National Nuclear Security Administration's Office of Defense Nuclear Nonproliferation Research and Development for its support of this project. This manuscript has been authored by UT-Battelle, LLC under contract DE-AC05-00OR22725 with the DOE. NR 13 TC 0 Z9 0 U1 0 U2 2 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 0029-5450 EI 1943-7471 J9 NUCL TECHNOL JI Nucl. Technol. PD DEC PY 2015 VL 192 IS 3 SI SI BP 240 EP 249 PG 10 WC Nuclear Science & Technology SC Nuclear Science & Technology GA DC8ZN UT WOS:000369509800007 ER PT J AU Weldon, RA Fensin, ML McKinney, GW AF Weldon, R. A., Jr. Fensin, M. L. McKinney, G. W. TI TESTING THE DELAYED GAMMA CAPABILITY IN MCNP6 SO NUCLEAR TECHNOLOGY LA English DT Article; Proceedings Paper CT 18th Topical Meeting of the Radiation Protection and Shielding Division of ANS CY SEP 14-18, 2014 CL Knoxville, TN SP Amer Nucl Soc, Oak Ridge Nat Lab, Varian, Secur & Inspect Prod, NSA Proven Effect Solut, Navarro Res & Eng Inc, Kirk Nucl Informat Serv, Univ Tennessee, Dept Nucl Engn DE MCNP6; delayed gamma; activation ID FISSION AB The mission of the Domestic Nuclear Detection Office is to quickly and reliably detect unauthorized attempts to import or transport special nuclear material for use against the United States. Developing detection equipment to meet this objective requires accurate simulation of both the detectable signature and detection mechanism. A delayed particle capability was initially added to MCNPX 2.6. A in 2005 to sample the radioactive fission product parents and emit decay particles resulting from the decay chain. To meet the objectives of detection scenario modeling, the capability was designed to sample a particular time for emitting particular multiplicity of a particular energy. Because the sampling process of selecting both time and energy is interdependent, to linearize the time and emission sampling, atom densities are computed at several discrete time steps, and the time-integrated production is computed by multiplying the atom density by the decay constant and time step size to produce a cumulative distribution function for sampling the emission time, energy, and multiplicity. The delayed particle capability was initially given a time-bin structure to help reasonably reproduce, from a qualitative sense, a fission benchmark by Beddingfield, which examined the delayed gamma emission. This original benchmark was only qualitative and did not contain the magnitudes of the actual measured data but did contain relative graphical representation of the spectra. A better benchmark with measured data was later provided by Hunt, Mozin, Reedy, Selpel, and Tobin at the Idaho Accelerator Center; however, because of the complexity of the benchmark setup, sizable systematic errors were expected in the modeling, and initial results compared to MCNPX 2.7.0 showed errors outside of statistical fluctuation. Presented here is a more simplified approach to benchmarking, utilizing closed form analytic solutions to the granddaughter equations for particular sets of decay systems. We examine five different decay chains ( two-stage decay to stable) and show the predictability of the MCNP6 delayed gamma feature. Results do show that while the default delayed gamma calculations available in the MCNP6 1.0 release can give accurate results for some isotopes ( e.g., Ba-137), the percent differences between the closed form analytic solutions and the MCNP6 calculations were often >40% (Mg-28, Al-28, K-42, Ca-47, Sc-47, Co-60). With the MCNP6 1.1 Beta release, the tenth entry on the DBCN card allows improved calculation within <5% as compared to the closed form analytic solutions for immediate parent emissions and transient equilibrium systems. While the tenth entry on the DBCN card for MCNP6 1.1 gives much better results for transient equilibrium systems and parent emissions in general, it does little to improve daughter emissions of secular equilibrium systems. Hypotheses were presented as to why daughter emissions of secular equilibrium systems might be mispredicted in some cases and not in others. C1 [Weldon, R. A., Jr.; Fensin, M. L.; McKinney, G. W.] Los Alamos Natl Lab, MS-C921, Los Alamos, NM 87545 USA. RP Weldon, RA (reprint author), Los Alamos Natl Lab, MS-C921, Los Alamos, NM 87545 USA. EM mfensin@lanl.gov FU U.S. Department of Homeland Security, DNDO [IAA HSHQDC-12-X-00251] FX This work was sponsored by the U.S. Department of Homeland Security, DNDO, under competitively awarded contract/IAA HSHQDC-12-X-00251. NR 11 TC 0 Z9 0 U1 1 U2 1 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 0029-5450 EI 1943-7471 J9 NUCL TECHNOL JI Nucl. Technol. PD DEC PY 2015 VL 192 IS 3 SI SI BP 250 EP 258 PG 9 WC Nuclear Science & Technology SC Nuclear Science & Technology GA DC8ZN UT WOS:000369509800008 ER PT J AU Ibrahim, AM Peplow, DE Grove, RE Peterson, JL Johnson, SR AF Ibrahim, Ahmad M. Peplow, Douglas E. Grove, Robert E. Peterson, Joshua L. Johnson, Seth R. TI THE MULTI-STEP CADIS METHOD FOR SHUTDOWN DOSE RATE CALCULATIONS AND UNCERTAINTY PROPAGATION SO NUCLEAR TECHNOLOGY LA English DT Article; Proceedings Paper CT 18th Topical Meeting of the Radiation Protection and Shielding Division of ANS CY SEP 14-18, 2014 CL Knoxville, TN SP Amer Nucl Soc, Oak Ridge Nat Lab, Varian, Secur & Inspect Prod, NSA Proven Effect Solut, Navarro Res & Eng Inc, Kirk Nucl Informat Serv, Univ Tennessee, Dept Nucl Engn DE hybrid Monte Carlo/deterministic techniques; Multi-Step CADIS; shutdown dose rate ID ANALYSIS CAPABILITIES; VARIANCE REDUCTION; SCALE; CODE; ITER AB Shutdown dose rate (SDDR) analysis requires (a) a neutron transport calculation to estimate neutron flux fields, (b) an activation calculation to compute radionuclide inventories and associated photon sources, and (c) a photon transport calculation to estimate final SDDR. In some applications, accurate full-scale Monte Carlo (MC) SDDR simulations are needed for very large systems with massive amounts of shielding materials. However, these simulations are impractical because calculation of space-and energy-dependent neutron fluxes throughout the structural materials is needed to estimate distribution of radioisotopes causing the SDDR. Biasing the neutron MC calculation using an importance function is not simple because it is difficult to explicitly express the response function, which depends on subsequent computational steps. Typical SDDR calculations do not consider how uncertainties in MC neutron calculation impact SDDR uncertainty, even though MC neutron calculation uncertainties usually dominate SDDR uncertainty. The Multi-Step Consistent Adjoint Driven Importance Sampling (MS-CADIS) hybrid MC/deterministic method was developed to speed SDDR MC neutron transport calculation using a deterministically calculated importance function representing the neutron importance to the final SDDR. Undersampling is usually inevitable in large-problem SDDR simulations because it is very difficult for the MC method to simulate particles in all space and energy elements of the neutron calculation. MS-CADIS can assess the degree of undersampling in SDDR calculations by determining the fraction of the SDDR response in the space and energy elements that did not have any scores in the MC neutron calculation. It can also provide estimates for upper and lower limits of SDDR statistical uncertainties resulting from uncertainties in MC neutron calculation. MS-CADIS was applied to the ITER SDDR benchmark problem that resembles the configuration and geometrical arrangement of an upper port plug in ITER. Without using the hybrid MC/deterministic methods to speed MC neutron calculations, SDDR calculations were significantly undersampled for all tallies, even when MC neutron calculation computational time was 32 CPU-days. However, all SDDR tally results with MC neutron calculations of only 2 CPU-days converged with the standard Forward-Weighted CADIS (FW-CADIS) method and the MS-CADIS method. Compared to the standard FW-CADIS approach, MS-CADIS decreased the undersampling in the calculated SDDR by factors between 0.9% and 0.3% for computational times between 4 and 32 CPU-days, and it increased the computational efficiency of the SDDR neutron MC calculation by factors between 43% and 69%. C1 [Ibrahim, Ahmad M.; Peplow, Douglas E.; Grove, Robert E.; Peterson, Joshua L.; Johnson, Seth R.] Oak Ridge Natl Lab, Reactor & Nucl Syst Div, POB 2008,Bldg 5700, Oak Ridge, TN 37831 USA. RP Ibrahim, AM (reprint author), Oak Ridge Natl Lab, Reactor & Nucl Syst Div, POB 2008,Bldg 5700, Oak Ridge, TN 37831 USA. EM ibrahimam@ornl.gov RI Peterson, Josh/E-3037-2016 OI Peterson, Josh/0000-0002-9181-192X FU UT-Battelle, LLC [DE-AC05-00OR22725]; U.S. Department of Energy FX Oak Ridge National Laboratory is managed by UT-Battelle, LLC, under contract DE-AC05-00OR22725 with the U.S. Department of Energy. NR 25 TC 0 Z9 0 U1 1 U2 1 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 0029-5450 EI 1943-7471 J9 NUCL TECHNOL JI Nucl. Technol. PD DEC PY 2015 VL 192 IS 3 SI SI BP 286 EP 298 PG 13 WC Nuclear Science & Technology SC Nuclear Science & Technology GA DC8ZN UT WOS:000369509800012 ER PT J AU Zurek, W AF Zurek, Wojciech TI A last word on quantum Darwinism Reply SO PHYSICS TODAY LA English DT Letter C1 [Zurek, Wojciech] Los Alamos Natl Lab, Los Alamos, NM USA. RP Zurek, W (reprint author), Los Alamos Natl Lab, Los Alamos, NM USA. NR 1 TC 0 Z9 0 U1 3 U2 3 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0031-9228 EI 1945-0699 J9 PHYS TODAY JI Phys. Today PD DEC PY 2015 VL 68 IS 12 BP 14 EP 14 DI 10.1063/PT.3.3003 PG 1 WC Physics, Multidisciplinary SC Physics GA DC7PC UT WOS:000369411600011 ER PT J AU Benge, G AF Benge, Glen TI Cement Evaluation-A Risky Business SO SPE DRILLING & COMPLETION LA English DT Article ID BOND LOGS AB Cement evaluation is often limited to running a cement-bond log (CBL) and making some attempt to interpret the results and determine whether there is isolation in the wellbore. Often, that interpretation is made in isolation with little or no information on what occurred during the drilling and cementing of the well, or the cement systems used. Evaluating cement in older wells where the drilling report states "ran casing, cemented same" can be particularly challenging. Cement evaluation is much more than just a CBL. Understanding the objectives of the cement job, the design limitations imposed by those objectives, and the resulting slurry and job designs are integral parts of cement evaluation. Often, the selection of a specialty cement system to meet specific job objectives can dictate how one can evaluate the cement. To properly evaluate a cement sheath, knowledge of the cement job, slurry designs, and the limitations of the evaluation technique. To attempt to perform a cement evaluation that is based solely on the log output from a CBL, or any log, invites considerable error and bias into the resulting interpretation. This paper reviews various methods of cement evaluationfrom job data, casing-and formation-pressure testing through sonic and ultrasonic logging. The assumptions associated with each technique are outlined, and the discussion includes some of the limitations of the various techniques, along with cautions on how misinterpretation of the results can lead to assumptions of cement integrity that may not be appropriate. The impact of new specialty cement designs, which incorporate high concentrations of inert materials to give the set cement unique properties, is discussed. The ability of specific logging methods to evaluate the presence of these slurries is presented. Data on selected specialty cement systems in which conventional ultrasonic cement-analyzer-strength data are not representative of the crush strength of the cement caused by the incorporation of specialty materials are included. Both overview of cement evaluation and a risk-based discussion of the technique that may be most appropriate on the basis of the cementing objectives are presented. Methods of reducing risk uncertainty in cement evaluation are discussed along with the "validity" of the various data sets available to the engineer to perform a proper cement evaluation on the well. Understanding the objectives of the cement job sets the boundary conditions for the designs, and from those designs, one can determine the ability to evaluate the resulting cement placement and well isolation. Setting the evaluation methodology and understanding the type of information required to apply that methodology can improve the quality of the evaluation. C1 [Benge, Glen] ExxonMobil, Irving, TX 75039 USA. [Benge, Glen] Amer Petr Inst, Subcomm Oil Well Cementing 10, Washington, DC USA. [Benge, Glen] US DOE, Washington, DC USA. [Benge, Glen] Amer Assoc Drilling Engineers, New Orleans Chapter, Lafayette, LA USA. NR 10 TC 0 Z9 0 U1 2 U2 6 PU SOC PETROLEUM ENG PI RICHARDSON PA 222 PALISADES CREEK DR,, RICHARDSON, TX 75080 USA SN 1064-6671 EI 1930-0204 J9 SPE DRILL COMPLETION JI SPE Drill. Complet. PD DEC PY 2015 VL 30 IS 4 BP 322 EP 325 PG 4 WC Engineering, Petroleum SC Engineering GA DC4AH UT WOS:000369161400005 ER PT J AU King, WE Anderson, AT Ferencz, RM Hodge, NE Kamath, C Khairallah, SA Rubenchik, AM AF King, W. E. Anderson, A. T. Ferencz, R. M. Hodge, N. E. Kamath, C. Khairallah, S. A. Rubenchik, A. M. TI Laser powder bed fusion additive manufacturing of metals; physics, computational, and materials challenges SO APPLIED PHYSICS REVIEWS LA English DT Review ID FINITE-ELEMENT-ANALYSIS; SINGLE-TRACK FORMATION; HEAT-TRANSFER; FEEDBACK-CONTROL; STAINLESS-STEEL; MELTING PROCESS; SIMULATION; TEMPERATURE; RADIATION; VAPORIZATION AB The production of metal parts via laser powder bed fusion additive manufacturing is growing exponentially. However, the transition of this technology from production of prototypes to production of critical parts is hindered by a lack of confidence in the quality of the part. Confidence can be established via a fundamental understanding of the physics of the process. It is generally accepted that this understanding will be increasingly achieved through modeling and simulation. However, there are significant physics, computational, and materials challenges stemming from the broad range of length and time scales and temperature ranges associated with the process. In this paper, we review the current state of the art and describe the challenges that need to be met to achieve the desired fundamental understanding of the physics of the process. (C) 2015 AIP Publishing LLC. C1 [King, W. E.] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94550 USA. [Anderson, A. T.; Ferencz, R. M.; Hodge, N. E.; Khairallah, S. A.] Lawrence Livermore Natl Lab, Engn Directorate, Livermore, CA 94550 USA. [Kamath, C.] Lawrence Livermore Natl Lab, Computat Directorate, Livermore, CA 94550 USA. [Rubenchik, A. M.] Lawrence Livermore Natl Lab, NIF, Livermore, CA 94550 USA. [Rubenchik, A. M.] Lawrence Livermore Natl Lab, Photon Sci Directorate, Livermore, CA 94550 USA. RP King, WE (reprint author), Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94550 USA. EM weking@llnl.gov OI King, Wayne/0000-0002-5060-5484 FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Laboratory Directed Research and Development Program at LLNL [13-SI-002] FX This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344. This work was funded by the Laboratory Directed Research and Development Program at LLNL under project tracking code 13-SI-002. NR 94 TC 14 Z9 14 U1 43 U2 113 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1931-9401 J9 APPL PHYS REV JI Appl. Phys. Rev. PD DEC PY 2015 VL 2 IS 4 AR 041304 DI 10.1063/1.4937809 PG 26 WC Physics, Applied SC Physics GA DC0KR UT WOS:000368906500012 ER PT J AU Baxamusa, SH Suresh, A Ehrmann, P Laurence, T Hanania, J Hayes, J Harley, S Burkey, DD AF Baxamusa, Salmaan H. Suresh, Aravind Ehrmann, Paul Laurence, Ted Hanania, Jiries Hayes, Jeff Harley, Stephen Burkey, Daniel D. TI Photo-oxidation of Polymers Synthesized by Plasma and Initiated CVD SO CHEMICAL VAPOR DEPOSITION LA English DT Article DE iCVD; PL; Photo-oxidation; Plasma polymers; Stability ID CHEMICAL-VAPOR-DEPOSITION; METHYL-METHACRYLATE; THERMAL-STABILITY; GLOW-DISCHARGE; THIN-FILMS; POLYMERIZATION; KINETICS; MONOMER AB Plasma polymers are often limited by their susceptibility to spontaneous and photo-oxidation. We show that the unusual photoluminescence (PL) behavior of a plasma polymer of trans-2-butene is correlated with its PL strength. These photo-processes occur under blue light illumination (lambda = 405 nm), distinguishing them from traditional ultraviolet degradation of polymers. These photo-active defects are likely formed during the plasma deposition process, and we show that a polymer synthesized using initiated (i) CVD, a non-plasma method, has 1000x lower PL signal and enhanced photo-stability. Non-plasma methods, such as iCVD, may therefore be a route to overcoming material aging issues that limit the adoption of plasma polymers. C1 [Baxamusa, Salmaan H.; Ehrmann, Paul; Laurence, Ted; Harley, Stephen] Lawrence Livermore Natl Lab, Div Mat Sci, Livermore, CA USA. [Suresh, Aravind; Hanania, Jiries; Burkey, Daniel D.] Univ Connecticut, Chem & Biomol Engn Dept, Storrs, CT USA. [Hayes, Jeff] Gen Atom Co, San Diego, CA USA. RP Baxamusa, SH (reprint author), Lawrence Livermore Natl Lab, Div Mat Sci, Livermore, CA USA. EM baxamusa1@llnl.gov FU U.S. Department of Energy by Lawrence Livermore National Laboratory within the LDRD program [DE-AC52-07NA27344] FX This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344 within the LDRD program. NR 47 TC 1 Z9 1 U1 4 U2 12 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 0948-1907 EI 1521-3862 J9 CHEM VAPOR DEPOS JI Chem. Vapor Depos. PD DEC PY 2015 VL 21 IS 10-12 BP 267 EP 274 DI 10.1002/cvde.201507173 PG 8 WC Electrochemistry; Materials Science, Coatings & Films; Physics, Condensed Matter SC Electrochemistry; Materials Science; Physics GA DC3SZ UT WOS:000369140400006 ER PT J AU Monzel, WJ Hoff, BW Maestas, SS French, DM Hayden, SC AF Monzel, W. Jacob Hoff, Brad W. Maestas, Sabrina S. French, David M. Hayden, Steven C. TI Dielectric Breakdown of Additively Manufactured Polymeric Materials SO IEEE TRANSACTIONS ON DIELECTRICS AND ELECTRICAL INSULATION LA English DT Article DE Rapid prototyping; dielectric breakdown; plastics; dielectric materials; dielectric measurements; dielectric strength; additive manufacturing; SLA; Polyjet; fused deposition modeling; FDM; SLS AB Dielectric strength testing of selected Polyjet-printed polymer plastics was performed in accordance with ASTM D149. This dielectric strength data is compared to manufacturer-provided dielectric strength data for selected plastics printed using the stereolithography (SLA), fused deposition modeling (FDM), and selective laser sintering (SLS) methods. Tested Polyjet samples demonstrated dielectric strengths as high as 47.5 kV/mm for a 0.5 mm thick sample and 32.1 kV/mm for a 1.0 mm sample. The dielectric strength of the additively manufactured plastics evaluated as part of this study was lower than the majority of non-printed plastics by at least 15% (with the exception of polycarbonate). C1 [Monzel, W. Jacob; Hoff, Brad W.; Maestas, Sabrina S.; French, David M.] Air Force Res Lab, Albuquerque, NM 87117 USA. [Hayden, Steven C.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, POB 1663, Los Alamos, NM 87545 USA. RP Monzel, WJ (reprint author), Air Force Res Lab, Albuquerque, NM 87117 USA. FU AFRL FX W. J. Monzel's participation in this work was accomplished under the Air Force Research Laboratory (AFRL) Directed Energy Summer Scholars Program. Funding for this work was provided by AFRL. S. C. Hayden's participation in 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. Polyjet sample testing was performed at Element Materials Technology (www.element.com). NR 51 TC 1 Z9 1 U1 5 U2 16 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1070-9878 EI 1558-4135 J9 IEEE T DIELECT EL IN JI IEEE Trns. Dielectr. Electr. Insul. PD DEC PY 2015 VL 22 IS 6 BP 3543 EP 3549 DI 10.1109/TDEI.2015.005199 PG 7 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA DC0XH UT WOS:000368940800057 ER PT J AU Xiao, H Endo, S Wong, M Skamarock, WC Klemp, JB Fast, JD Gustafson, WI Vogelmann, AM Wang, HL Liu, YG Lin, WY AF Xiao, Heng Endo, Satoshi Wong, May Skamarock, William C. Klemp, Joseph B. Fast, Jerome D. Gustafson, William I. Vogelmann, Andrew M. Wang, Hailong Liu, Yangang Lin, Wuyin TI Modifications to WRF's dynamical core to improve the treatment of moisture for large-eddy simulations SO JOURNAL OF ADVANCES IN MODELING EARTH SYSTEMS LA English DT Article DE WRF; LES; time-split integration; dynamic core; compressible system; cloudy boundary layer ID MESOSCALE CELLULAR STRUCTURES; MARINE STRATOCUMULUS; BOUNDARY-LAYER; PART I; MODEL; SYSTEM; IMPACT; MICROPHYSICS; SCHEMES; CLIMATE AB Yamaguchi and Feingold (2012) note that the cloud fields in their large-eddy simulations (LESs) of marine stratocumulus using the Weather Research and Forecasting (WRF) model exhibit a strong sensitivity to time stepping choices. In this study, we reproduce and analyze this sensitivity issue using two stratocumulus cases, one marine and one continental. Results show that (1) the sensitivity is associated with spurious motions near the moisture jump between the boundary layer and the free atmosphere, and (2) these spurious motions appear to arise from neglecting small variations in water vapor mixing ratio (q(v)) in the pressure gradient calculation in the acoustic substepping portion of the integration procedure. We show that this issue is remedied in the WRF dynamical core by replacing the prognostic equation for the potential temperature with one for the moist potential temperature (m)=(1+1.61q(v)), which allows consistent treatment of moisture in the calculation of pressure during the acoustic substeps. With this modification, the spurious motions and the sensitivity to the time stepping settings (i.e., the dynamic time step length and number of acoustic sub-steps) are eliminated in both of the example stratocumulus cases. This modification improves the applicability of WRF for LES applications, and possibly other models using similar dynamical core formulations, and also permits the use of longer time steps than in the original code. C1 [Xiao, Heng; Wong, May; Fast, Jerome D.; Gustafson, William I.; Wang, Hailong] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. [Endo, Satoshi; Vogelmann, Andrew M.; Liu, Yangang; Lin, Wuyin] Brookhaven Natl Lab, Upton, NY 11973 USA. [Skamarock, William C.; Klemp, Joseph B.] Natl Ctr Atmospher Res, Boulder, CO 80307 USA. RP Xiao, H (reprint author), Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. EM Heng.Xiao@pnnl.gov RI Liu, Yangang/H-6154-2011; Gustafson, William/A-7732-2008; Vogelmann, Andrew/M-8779-2014; Wang, Hailong/B-8061-2010 OI Gustafson, William/0000-0001-9927-1393; Vogelmann, Andrew/0000-0003-1918-5423; Wang, Hailong/0000-0002-1994-4402 FU U.S. Department of Energy Office of Biological and Environmental Research as part of the Atmospheric System Research Program; DOE; Atmospheric System Research Program [DE-SC00112704]; DOE [DE-AC05-76RL01830]; Department of Energy's Office of Biological and Environmental Research FX The authors thank Branko Kosovic for his suggestions with this research. This research is based on work supported by the U.S. Department of Energy Office of Biological and Environmental Research as part of the Atmospheric System Research Program and a DOE Early Career award to Gustafson. The research conducted at Brookhaven National Laboratory was supported by the Atmospheric System Research Program via DE-SC00112704. Data were used from the Atmospheric Radiation Measurement Climate Research Facility, a DOE Office of Science User Facility. We gratefully acknowledge the usage of the WRF LES package from Tak Yamaguchi (available at http://esrl.noaa.gov/csd/staff/tak.yamaguchi/code/). The Pacific Northwest National Laboratory is operated for DOE by Battelle Memorial Institute under contract DE-AC05-76RL01830. A portion of this research was performed using the Environmental Molecular Sciences Laboratory, a DOE Office of Science user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory, and PNNL Institutional Computing at Pacific Northwest National Laboratory. The newest WRF version can be downloaded from http:/wrf-model.org. The simulation data used in this paper will be made available upon request to the first author. NR 28 TC 0 Z9 0 U1 1 U2 11 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 1942-2466 J9 J ADV MODEL EARTH SY JI J. Adv. Model. Earth Syst. PD DEC PY 2015 VL 7 IS 4 BP 1627 EP 1642 DI 10.1002/2015MS000532 PG 16 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA DB8AW UT WOS:000368739800007 ER PT J AU Li, HY Leung, LR Tesfa, T Voisin, N Hejazi, M Liu, L Liu, Y Rice, J Wu, H Yang, XF AF Li, Hong-Yi Leung, L. Ruby Tesfa, Teklu Voisin, Nathalie Hejazi, Mohamad Liu, Lu Liu, Ying Rice, Jennie Wu, Huan Yang, Xiaofan TI Modeling stream temperature in the Anthropocene: An earth system modeling approach SO JOURNAL OF ADVANCES IN MODELING EARTH SYSTEMS LA English DT Article DE stream temperature; earth system modeling; reservoir operation ID INTEGRATED ASSESSMENT; CLIMATE-CHANGE; ELECTRICITY-GENERATION; WATER; 21ST-CENTURY; PROJECTIONS; DEMANDS; SURFACE AB A new large-scale stream temperature model has been developed within the Community Earth System Model (CESM) framework. The model is coupled with the Model for Scale Adaptive River Transport (MOSART) that represents river routing and a water management model (WM) that represents the effects of reservoir operations and water withdrawals on flow regulation. The coupled models allow the impacts of reservoir operations and withdrawals on stream temperature to be explicitly represented in a physically based and consistent way. The models have been applied to the Contiguous United States driven by observed meteorological forcing. Including water management in the models improves the agreement between the simulated and observed streamflow at a large number of stream gauge stations. It is then shown that the model is capable of reproducing stream temperature spatiotemporal variation satisfactorily by comparing against the observed data from over 320 USGS stations. Both climate and water management are found to have important influence on the spatiotemporal patterns of stream temperature. Furthermore, it is quantitatively estimated that reservoir operation could cool down stream temperature in the summer low-flow season (August-October) by as much as 1 approximate to 2 degrees C due to enhanced low-flow conditions, which have important implications to aquatic ecosystems. Sensitivity of the simulated stream temperature to input data and reservoir operation rules used in the WM model motivates future directions to address some limitations in the current modeling framework. C1 [Li, Hong-Yi; Leung, L. Ruby; Tesfa, Teklu; Voisin, Nathalie; Hejazi, Mohamad; Liu, Ying; Rice, Jennie; Yang, Xiaofan] Pacific NW Natl Lab, Richland, WA 99352 USA. [Liu, Lu; Wu, Huan] Univ Maryland, Earth Syst Sci Interdisciplinary Ctr, College Pk, MD 20742 USA. [Wu, Huan] NASA, Goddard Space Flight Ctr, Greenbelt, MD USA. RP Li, HY (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM hongyi.li@pnnl.gov RI Li, Hong-Yi/C-9143-2014; OI Li, Hong-Yi/0000-0001-5690-3610; Voisin, Nathalie/0000-0002-6848-449X FU Office of Science of the U.S. Department of Energy Biological and Environmental Research as part of the Integrated Assessment Research Program; Battelle for the U.S. Department of Energy [DE-AC05-76RLO1830] FX This work was supported by the Office of Science of the U.S. Department of Energy Biological and Environmental Research as part of the Integrated Assessment Research Program. Initial model development and compilation of observation data for model evaluation were supported by the Platform for Regional Integrated Modeling and Analysis (PRIMA) initiative at the Pacific Northwest National Laboratory. The Pacific Northwest National Laboratory is operated by Battelle for the U.S. Department of Energy under Contract DE-AC05-76RLO1830. The data and source code used in this study are available upon individual request (hongyi.li@pnnl.gov). NR 36 TC 0 Z9 0 U1 4 U2 7 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 1942-2466 J9 J ADV MODEL EARTH SY JI J. Adv. Model. Earth Syst. PD DEC PY 2015 VL 7 IS 4 BP 1661 EP 1679 DI 10.1002/2015MS000471 PG 19 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA DB8AW UT WOS:000368739800009 ER PT J AU Ma, HY Chuang, CC Klein, SA Lo, MH Zhang, Y Xie, S Zheng, X Ma, PL Zhang, Y Phillips, TJ AF Ma, H. -Y. Chuang, C. C. Klein, S. A. Lo, M. -H. Zhang, Y. Xie, S. Zheng, X. Ma, P. -L. Zhang, Y. Phillips, T. J. TI An improved hindcast approach for evaluation and diagnosis of physical processes in global climate models SO JOURNAL OF ADVANCES IN MODELING EARTH SYSTEMS LA English DT Article DE GCM; model evaluation; transpose-AMIP; initial conditions; hindcast ID COMMUNITY-ATMOSPHERE-MODEL; SOUTHEAST PACIFIC STRATOCUMULUS; NUMERICAL WEATHER PREDICTION; DATA ASSIMILATION SYSTEM; GREAT-PLAINS SITE; FORECAST ERRORS; DIGITAL-FILTER; SIMULATIONS; INITIALIZATION; SENSITIVITY AB We present an improved procedure of generating initial conditions (ICs) for climate model hindcast experiments with specified sea surface temperature and sea ice. The motivation is to minimize errors in the ICs and lead to a better evaluation of atmospheric parameterizations' performance in the hindcast mode. We apply state variables (horizontal velocities, temperature, and specific humidity) from the operational analysis/reanalysis for the atmospheric initial states. Without a data assimilation system, we apply a two-step process to obtain other necessary variables to initialize both the atmospheric (e.g., aerosols and clouds) and land models (e.g., soil moisture). First, we nudge only the model horizontal velocities toward operational analysis/reanalysis values, given a 6 h relaxation time scale, to obtain all necessary variables. Compared to the original strategy in which horizontal velocities, temperature, and specific humidity are nudged, the revised approach produces a better representation of initial aerosols and cloud fields which are more consistent and closer to observations and model's preferred climatology. Second, we obtain land ICs from an off-line land model simulation forced with observed precipitation, winds, and surface fluxes. This approach produces more realistic soil moisture in the land ICs. With this refined procedure, the simulated precipitation, clouds, radiation, and surface air temperature over land are improved in the Day 2 mean hindcasts. Following this procedure, we propose a Core integration suite which provides an easily repeatable test allowing model developers to rapidly assess the impacts of various parameterization changes on the fidelity of modeled cloud-associated processes relative to observations. C1 [Ma, H. -Y.; Chuang, C. C.; Klein, S. A.; Zhang, Y.; Xie, S.; Zheng, X.; Zhang, Y.; Phillips, T. J.] Lawrence Livermore Natl Lab, Program Climate Model Diag & Intercomparison, Livermore, CA USA. [Lo, M. -H.] Natl Taiwan Univ, Dept Atmospher Sci, Taipei 10764, Taiwan. [Ma, P. -L.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Ma, HY (reprint author), Lawrence Livermore Natl Lab, Program Climate Model Diag & Intercomparison, Livermore, CA USA. EM ma21@llnl.gov RI chuang, cathy/H-4814-2012; Klein, Stephen/H-4337-2016; Xie, Shaocheng/D-2207-2013; Ma, Hsi-Yen/K-1019-2013; Ma, Po-Lun/G-7129-2015; Zheng, Xue/F-9988-2016 OI Klein, Stephen/0000-0002-5476-858X; Xie, Shaocheng/0000-0001-8931-5145; LO, MIN-HUI/0000-0002-8653-143X; Ma, Po-Lun/0000-0003-3109-5316; Zheng, Xue/0000-0002-9372-1776 FU Regional and Global Climate Modeling and Atmospheric System Research programs of the U.S. Department of Energy as part of the CAPT; U.S. Department of Energy by LLNL [DE-AC52-07NA27344]; Battelle Memorial Institute for the U.S. Department of Energy [DE-AC05-76RL01830]; MOST in Taiwan [100-2119-M-001-029-MY5] FX We thank David Williamson, Brian Medeiros, Julio Bacmeister, and Patrick Callaghan at NCAR for discussion of this work. We also thank two anonymous reviewers and Associate Editor for their valuable comments on this paper. We are grateful to the ECMWF for making their operational analyses and reanalysis available. Computing resources were provided from the Livermore Computing Center at LLNL and the National Energy Research Scientific Computing Center (NERSC). The work was funded by the Regional and Global Climate Modeling and Atmospheric System Research programs of the U.S. Department of Energy as part of the CAPT. This work was performed under the auspices of the U.S. Department of Energy by LLNL under contract DE-AC52-07NA27344. Pacific Northwest National Laboratory is operated by Battelle Memorial Institute for the U.S. Department of Energy under contract DE-AC05-76RL01830. Min-Hui Lo was supported by the MOST 100-2119-M-001-029-MY5 in Taiwan. The simulations will be available online through the NERSC Science Gateways (details provided on https://www.nersc.gov/users/science-gateways/). Due to the large volume of data sets and limited disk space, data will be shared online upon request. NR 69 TC 5 Z9 5 U1 1 U2 5 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 1942-2466 J9 J ADV MODEL EARTH SY JI J. Adv. Model. Earth Syst. PD DEC PY 2015 VL 7 IS 4 BP 1810 EP 1827 DI 10.1002/2015MS000490 PG 18 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA DB8AW UT WOS:000368739800016 ER PT J AU Tang, JY Riley, WJ Niu, J AF Tang, Jinyun Riley, William J. Niu, Jie TI Incorporating root hydraulic redistribution in CLM4.5: Effects on predicted site and global evapotranspiration, soil moisture, and water storage SO JOURNAL OF ADVANCES IN MODELING EARTH SYSTEMS LA English DT Article DE root hydraulic redistribution; evapotranspiration; total water storage ID PHYSICAL-PROPERTIES; FOREST ECOSYSTEM; AMAZON BASIN; MODEL; CLIMATE; EVAPORATION; TRANSPIRATION; SIMULATION; EQUATIONS; TRANSPORT AB We implemented the Amenu-Kumar model in the Community Land Model (CLM4.5) to simulate plant Root Hydraulic Redistribution (RHR) and analyzed its influence on CLM hydrology from site to global scales. We evaluated two numerical implementations: the first solved the coupled equations of root and soil water transport concurrently, while the second solved the two equations sequentially. Through sensitivity analysis, we demonstrate that the sequentially coupled implementation (SCI) is numerically incorrect, whereas the tightly coupled implementation (TCI) is numerically robust with numerical time steps varying from 1 to 30 min. At the site-level, we found the SCI approach resulted in better agreement with measured evapotranspiration (ET) at the AmeriFlux Blodgett Forest site, California, whereas the two approaches resulted in equally poor agreement between predicted and measured ET at the LBA Tapajos KM67 Mature Forest site in Amazon, Brazil. Globally, the SCI approach overestimated annual land ET by as much as 3.5 mm d(-1) in some grid cells when compared to the TCI estimates. These comparisons demonstrate that TCI is a more robust numerical implementation of RHR. However, we found, even with TCI, that incorporating RHR resulted in worse agreement with measured soil moisture at both the Blodgett Forest and Tapajos sites and degraded the agreement between simulated terrestrial water storage anomaly and Gravity Recovery and Climate Experiment (GRACE) observations. We find including RHR in CLM4.5 improved ET predictions compared with the FLUXNET-MTE estimates north of 20 degrees N but led to poorer predictions in the tropics. The biases in ET were robust and significant regardless of the four different pedotransfer functions or of the two meteorological forcing data sets we applied. We also found that the simulated water table was unrealistically sensitive to RHR. Therefore, we contend that further structural and data improvements are warranted to improve the hydrological dynamics in CLM4.5. C1 [Tang, Jinyun; Riley, William J.; Niu, Jie] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Tang, JY (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. EM jinyuntang@lbl.gov RI Tang, Jinyun/M-4922-2013; Riley, William/D-3345-2015 OI Tang, Jinyun/0000-0002-4792-1259; Riley, William/0000-0002-4615-2304 FU Office of Science, Office of Biological and Environmental Research of the U.S. Department of Energy [DE-AC02-05CH11231] FX This research was supported by the Director, Office of Science, Office of Biological and Environmental Research of the U.S. Department of Energy under Contract DE-AC02-05CH11231 as part of their Regional and Global Climate Modeling (RGCM) Program and as part of the Next-Generation Ecosystem Experiments (NGEE Arctic) project. All results in this paper are produced using a modified version of CLM4.5, which is available from the corresponding author upon request (Email: jinyuntang@lbl.gov). The AmeriFlux level-4 data are downloaded from http://ameriflux.ornl.gov. The GRACE data are downloaded from http://grace.jpl.nasa.gov. The GPCP data are downloaded from http://precip.gsfc.nasa.gov. The FLUXNET-MTE data are downloaded from https://www.bgc-jena.mpg.de/bgi/index.php/Services/Overview. NR 40 TC 5 Z9 5 U1 9 U2 23 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 1942-2466 J9 J ADV MODEL EARTH SY JI J. Adv. Model. Earth Syst. PD DEC PY 2015 VL 7 IS 4 BP 1828 EP 1848 DI 10.1002/2015MS000484 PG 21 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA DB8AW UT WOS:000368739800017 ER PT J AU Benedict, JJ Pritchard, MS Collins, WD AF Benedict, James J. Pritchard, Michael S. Collins, William D. TI Sensitivity of MJO propagation to a robust positive Indian Ocean dipole event in the superparameterized CAM SO JOURNAL OF ADVANCES IN MODELING EARTH SYSTEMS LA English DT Article DE Madden-Julian oscillation; intraseasonal variability; superparameterization; Indian Ocean dipole; tropical convection; ENSO ID MADDEN-JULIAN OSCILLATION; MOIST STATIC ENERGY; SEA-SURFACE TEMPERATURE; ATMOSPHERIC INTRASEASONAL VARIABILITY; LARGE-SCALE MODES; TROPICAL CIRCULATION; EL-NINO; PART II; SUBSEASONAL VARIABILITY; GRADIENT APPROXIMATION AB The superparameterized Community Atmosphere Model (SPCAM) is used to investigate the impact and geographic sensitivity of positive Indian Ocean Dipole (+IOD) sea-surface temperatures (SSTs) on Madden-Julian oscillation (MJO) propagation. The goal is to clarify potentially appreciable +IOD effects on MJO dynamics detected in prior studies by using a global model with explicit convection representation. Prescribed climatological October SSTs and variants of the SST distribution from October 2006, a +IOD event, force the model. Modest MJO convection weakening over the Maritime Continent occurs when either climatological SSTs, or +IOD SST anomalies restricted to the Indian Ocean, are applied. However, severe MJO weakening occurs when either +IOD SST anomalies are applied globally or restricted to the equatorial Pacific. MJO disruption is associated with time-mean changes in the zonal wind profile and lower moist static energy (MSE) in subsiding air masses imported from the Subtropics by Rossby-like gyres. On intraseasonal scales, MJO disruption arises from significantly smaller MSE accumulation, weaker meridional advective moistening, and overactive submonthly eddies that mix drier subtropical air into the path of MJO convection. These results (1) demonstrate that SPCAM reproduces observed time-mean and intraseasonal changes during +IOD episodes, (2) reaffirm the role that submonthly eddies play in MJO propagation and show that such multiscale interactions are sensitive to interannual SST states, and (3) suggest that boreal fall +IOD SSTs local to the Indian Ocean have a significantly smaller impact on Maritime Continent MJO propagation compared to contemporaneous Pacific SST anomalies which, for October 2006, resemble El Nino-like conditions. C1 [Benedict, James J.; Collins, William D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Dept Climate Sci, Berkeley, CA 94720 USA. [Pritchard, Michael S.] Univ Calif Irvine, Dept Earth Syst Sci, Irvine, CA 92697 USA. [Collins, William D.] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. RP Benedict, JJ (reprint author), Univ Miami, Rosenstiel Sch Marine & Atmospher Sci, Coral Gables, FL 33124 USA. EM jjbenedict@lbl.gov RI Collins, William/J-3147-2014; Benedict, James/M-5824-2013 OI Collins, William/0000-0002-4463-9848; Benedict, James/0000-0001-5115-5131 FU National Science Foundation (NSF) [OCI-1053575, TG-ATM120034]; U.S. Department of Energy (DOE); NSF [AGS-1419518]; DOE [DE-SC0012152, DE-SC0012548] FX We thank Hongyan Zhu and one anonymous reviewer for their constructive comments on this manuscript. GPCP precipitation data provided by the NOAA/OAR/ESRL PSD, Boulder, Colorado, USA (http://www.esrl.noaa.gov/psd/). Data discussed in this paper can be made available from the authors upon request. This study used the Extreme Science and Engineering Discovery Environment, which is supported by National Science Foundation (NSF) grant OCI-1053575, under allocation TG-ATM120034. J.B. and W.C. were funded by the U.S. Department of Energy (DOE) Scientific Discovery for Advanced Computing "Multiscale Methods for Accurate, Efficient, and Scale-Aware Models of the Earth System" project. M.P. was funded by NSF grant AGS-1419518 and DOE grants DE-SC0012152 and DE-SC0012548. This study benefitted greatly from discussions with Chidong Zhang, Toshi Shinoda, David Randall, and Charlotte DeMott. NR 82 TC 4 Z9 4 U1 0 U2 11 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 1942-2466 J9 J ADV MODEL EARTH SY JI J. Adv. Model. Earth Syst. PD DEC PY 2015 VL 7 IS 4 BP 1901 EP 1917 DI 10.1002/2015MS000530 PG 17 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA DB8AW UT WOS:000368739800021 ER PT J AU He, YJ Yang, JY Zhuang, QL Harden, JW McGuire, AD Liu, YL Wang, GS Gu, LH AF He, Yujie Yang, Jinyan Zhuang, Qianlai Harden, Jennifer W. McGuire, Anthony D. Liu, Yaling Wang, Gangsheng Gu, Lianhong TI Incorporating microbial dormancy dynamics into soil decomposition models to improve quantification of soil carbon dynamics of northern temperate forests SO JOURNAL OF GEOPHYSICAL RESEARCH-BIOGEOSCIENCES LA English DT Article DE microbial life history traits; microbial dormancy; soil C:N ratio; Michaelis-Menten kinetics; temperate forest ecosystem; soil heterotrophic respiration ID MICHAELIS-MENTEN KINETICS; EARTH SYSTEM MODELS; ORGANIC-CARBON; USE EFFICIENCY; RESPIRATION; NITROGEN; ECOSYSTEMS; SUBSTRATE; STOICHIOMETRY; ASSIMILATION AB Soil carbon dynamics of terrestrial ecosystems play a significant role in the global carbon cycle. Microbial-based decomposition models have seen much growth recently for quantifying this role, yet dormancy as a common strategy used by microorganisms has not usually been represented and tested in these models against field observations. Here we developed an explicit microbial-enzyme decomposition model and examined model performance with and without representation of microbial dormancy at six temperate forest sites of different forest types. We then extrapolated the model to global temperate forest ecosystems to investigate biogeochemical controls on soil heterotrophic respiration and microbial dormancy dynamics at different temporal-spatial scales. The dormancy model consistently produced better match with field-observed heterotrophic soil CO2 efflux (R-H) than the no dormancy model. Our regional modeling results further indicated that models with dormancy were able to produce more realistic magnitude of microbial biomass (<2% of soil organic carbon) and soil R-H (7.52.4PgCyr(-1)). Spatial correlation analysis showed that soil organic carbon content was the dominating factor (correlation coefficient=0.4-0.6) in the simulated spatial pattern of soil R-H with both models. In contrast to strong temporal and local controls of soil temperature and moisture on microbial dormancy, our modeling results showed that soil carbon-to-nitrogen ratio (C:N) was a major regulating factor at regional scales (correlation coefficient=-0.43 to -0.58), indicating scale-dependent biogeochemical controls on microbial dynamics. Our findings suggest that incorporating microbial dormancy could improve the realism of microbial-based decomposition models and enhance the integration of soil experiments and mechanistically based modeling. C1 [He, Yujie; Zhuang, Qianlai; Liu, Yaling] Purdue Univ, Dept Earth Atmospher & Planetary Sci, W Lafayette, IN USA. [Yang, Jinyan] Univ Georgia, Warnell Sch Forestry & Nat Resources, Athens, GA 30602 USA. [Yang, Jinyan] Northeast Forestry Univ, Ctr Ecol Res, Harbin, Peoples R China. [Zhuang, Qianlai] Purdue Univ, Dept Agron, W Lafayette, IN 47907 USA. [Harden, Jennifer W.] US Geol Survey, 345 Middlefield Rd, Menlo Pk, CA 94025 USA. [McGuire, Anthony D.] Univ Alaska Fairbanks, Alaska Cooperat Fish & Wildlife Res Unit, US Geol Survey, Fairbanks, AK USA. [Wang, Gangsheng] Oak Ridge Natl Lab, Climate Change Sci Inst, Oak Ridge, TN USA. [Wang, Gangsheng; Gu, Lianhong] Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA. RP Zhuang, QL (reprint author), Purdue Univ, Dept Earth Atmospher & Planetary Sci, W Lafayette, IN USA.; Zhuang, QL (reprint author), Purdue Univ, Dept Agron, W Lafayette, IN 47907 USA. EM qzhuang@purdue.edu RI Gu, Lianhong/H-8241-2014; He, Yujie/E-2514-2017 OI Gu, Lianhong/0000-0001-5756-8738; He, Yujie/0000-0001-8261-5399 FU NSF [0919331, NSF-0630319]; NASA [NASA-NNX09AI26G]; Department of Energy [DE-FG02-08ER64599]; NSF Division of Information & Intelligent Systems [NSF-1028291] FX We would like to thank Xiaofeng Xu for his suggestions on an earlier version of this manuscript and Yang Bai for his helpful information regarding partitioning AmeriFlux data. We also would like to thank AmeriFlux PI Dr. Beverly Law for making these long-term observations publicly available. All data needed for reproduction of this study are available online (https://drive.google.com/folderview?id=0B081GsjCQ_JucnpQUGNyeU5hckk&usp =sharing) and also upon request. This research is partly supported with funding to Q.Z. through NSF projects (DEB-#0919331 and NSF-0630319), the NASA Land Use and Land Cover Change program (NASA-NNX09AI26G), Department of Energy (DE-FG02-08ER64599), and the NSF Division of Information & Intelligent Systems (NSF-1028291). Data from analyses and figures will be archived in the Purdue University Research Repository and can be accessed by contacting the corresponding author (Q.Z.). Any use of trade, firm, or product names is for descriptive purposes only and does not imply endorsement by the U.S. Government. NR 49 TC 2 Z9 2 U1 3 U2 9 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 DEC PY 2015 VL 120 IS 12 BP 2596 EP 2611 DI 10.1002/2015JG003130 PG 16 WC Environmental Sciences; Geosciences, Multidisciplinary SC Environmental Sciences & Ecology; Geology GA DC0WL UT WOS:000368938500008 ER PT J AU Silling, S Weckner, O AF Silling, Stewart Weckner, Olaf TI PREFACE SO JOURNAL OF MECHANICS OF MATERIALS AND STRUCTURES LA English DT Editorial Material C1 [Silling, Stewart] Sandia Natl Labs, Livermore, CA 94550 USA. [Weckner, Olaf] Boeing Co, Chicago, IL USA. RP Silling, S (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. NR 0 TC 0 Z9 0 U1 3 U2 4 PU MATHEMATICAL SCIENCE PUBL PI BERKELEY PA UNIV CALIFORNIA, DEPT MATHEMATICS, BERKELEY, CA 94720-3840 USA SN 1559-3959 J9 J MECH MATER STRUCT JI J. Mech. Mater. Struct. PD DEC PY 2015 VL 10 IS 5 SI SI BP 537 EP 537 DI 10.2140/jomms.2015.10.537 PG 1 WC Materials Science, Multidisciplinary; Mechanics SC Materials Science; Mechanics GA DC0NL UT WOS:000368914200001 ER PT J AU Mitchell, JA Silling, SA Littlewood, DJ AF Mitchell, John A. Silling, Stewart A. Littlewood, David J. TI A POSITION-AWARE LINEAR SOLID CONSTITUTIVE MODEL FOR PERIDYNAMICS SO JOURNAL OF MECHANICS OF MATERIALS AND STRUCTURES LA English DT Article; Proceedings Paper CT Peridynamic Theory symposium CY JUN, 2014 CL Michigan State Univ, East Lansing, MI HO Michigan State Univ DE peridynamics; PALS; ordinary state; lps; surface effects; elastic model; nonlocal; integral equations ID MECHANICS AB A position-aware linear solid (PALS) peridynamic constitutive model is proposed for isotropic elastic solids. The PALS model addresses problems that arise, in ordinary peridynamic material models such as the linear peridynamic solid (LPS), due to incomplete neighborhoods near the surface of a body. Improved model behavior in the vicinity of free surfaces is achieved through the application of two influence functions that correspond, respectively, to the volumetric and deviatoric parts of the deformation. The model is position-aware in that the influence functions vary over the body and reflect the proximity of each material point to free surfaces. Demonstration calculations on simple benchmark problems show a sharp reduction in error relative to the LPS model. C1 [Mitchell, John A.; Silling, Stewart A.; Littlewood, David J.] Sandia Natl Labs, Multiscale Sci, POB 5800,MS 1322, Albuquerque, NM 87185 USA. RP Mitchell, JA (reprint author), Sandia Natl Labs, Multiscale Sci, POB 5800,MS 1322, Albuquerque, NM 87185 USA. EM jamitch@sandia.gov; sasilli@sandia.gov; djlittl@sandia.gov FU Laboratory-Directed Research and Development (LDRD) project at Sandia National Laboratories; United States Department of Energy [DE-AC04-94AL85000] FX This work was supported through a Laboratory-Directed Research and Development (LDRD) project at Sandia National Laboratories. The authors would like to thank Dan Turner, Pablo Seleson, Mike Parks, and Max Gunzburger for helpful discussions during the course of this work. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under Contract DE-AC04-94AL85000. NR 18 TC 2 Z9 2 U1 3 U2 8 PU MATHEMATICAL SCIENCE PUBL PI BERKELEY PA UNIV CALIFORNIA, DEPT MATHEMATICS, BERKELEY, CA 94720-3840 USA SN 1559-3959 J9 J MECH MATER STRUCT JI J. Mech. Mater. Struct. PD DEC PY 2015 VL 10 IS 5 SI SI BP 539 EP 557 DI 10.2140/jomms.2015.10.539 PG 19 WC Materials Science, Multidisciplinary; Mechanics SC Materials Science; Mechanics GA DC0NL UT WOS:000368914200002 ER PT J AU Turner, DZ Waanders, BGV Parks, ML AF Turner, Daniel Z. Waanders, Bart G. van Bloemen Parks, Michael L. TI INVERSE PROBLEMS IN HETEROGENEOUS AND FRACTURED MEDIA USING PERIDYNAMICS SO JOURNAL OF MECHANICS OF MATERIALS AND STRUCTURES LA English DT Article; Proceedings Paper CT Peridynamic Theory symposium CY JUN, 2014 CL Michigan State Univ, East Lansing, MI HO Michigan State Univ DE peridynamics; fractured media; inverse problems; digital image correlation ID DIGITAL-IMAGE-CORRELATION; NONLOCAL VECTOR CALCULUS; ELASTICITY THEORY; NAVIER EQUATION; MECHANICS; MODEL AB The following work presents an adjoint-based methodology for solving inverse problems in heterogeneous and fractured media using state-based peridynamics. We show that the inner product involving the peridynamic operators is self-adjoint. The proposed method is illustrated for several numerical examples with constant and spatially varying material parameters as well as in the context of fractures. We also present a framework for obtaining material parameters by integrating digital image correlation (DIC) with inverse analysis. This framework is demonstrated by evaluating the bulk and shear moduli for a sample of nuclear graphite using digital photographs taken during the experiment. The resulting measured values correspond well with other results reported in the literature. Lastly, we show that this framework can be used to determine the load state given observed measurements of a crack opening. This type of analysis has many applications in characterizing subsurface stress-state conditions given fracture patterns in cores of geologic material. C1 [Turner, Daniel Z.] Sandia Natl Labs, Multiscale Sci, POB 5800, Albuquerque, NM 87185 USA. [Waanders, Bart G. van Bloemen] Sandia Natl Labs, Optimizat & UQ, Albuquerque, NM 87185 USA. [Parks, Michael L.] Sandia Natl Labs, Computat Math, Albuquerque, NM 87185 USA. RP Turner, DZ (reprint author), Sandia Natl Labs, Multiscale Sci, POB 5800, Albuquerque, NM 87185 USA. EM dzturne@sandia.gov; bartv@sandia.gov; mlparks@sandia.gov FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; Institute for Structural Engineering at Stellenbosch University FX Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.; The authors would like to thank Thorsten Becker, Johan Conradie, and Matt Molteno from Stellenbosch University for their assistance with the nuclear graphite experiments. Portions of this work were funded by the Institute for Structural Engineering at Stellenbosch University. NR 21 TC 0 Z9 0 U1 5 U2 8 PU MATHEMATICAL SCIENCE PUBL PI BERKELEY PA UNIV CALIFORNIA, DEPT MATHEMATICS, BERKELEY, CA 94720-3840 USA SN 1559-3959 J9 J MECH MATER STRUCT JI J. Mech. Mater. Struct. PD DEC PY 2015 VL 10 IS 5 SI SI BP 573 EP 590 DI 10.2140/jomms.2015.10.573 PG 18 WC Materials Science, Multidisciplinary; Mechanics SC Materials Science; Mechanics GA DC0NL UT WOS:000368914200004 ER PT J AU Silling, SA Littlewood, DJ Seleson, P AF Silling, Stewart A. Littlewood, David J. Seleson, Pablo TI VARIABLE HORIZON IN A PERIDYNAMIC MEDIUM SO JOURNAL OF MECHANICS OF MATERIALS AND STRUCTURES LA English DT Article; Proceedings Paper CT Peridynamic Theory symposium CY JUN, 2014 CL Michigan State Univ, East Lansing, MI HO Michigan State Univ DE elasticity; nonlocality; local-nonlocal coupling; peridynamics ID CLASSICAL ELASTICITY; SOLID MECHANICS; CONVERGENCE; DIFFUSION; FRACTURE; STATES AB A notion of material homogeneity is proposed for peridynamic bodies with variable horizon but constant bulk properties. A relation is derived that scales the force state according to the position-dependent horizon while keeping the bulk properties unchanged. Using this scaling relation, if the horizon depends on position, artifacts called ghost forces may arise in a body under a homogeneous deformation. These artifacts depend on the second derivative of the horizon and can be reduced by employing a modified equilibrium equation using a new quantity called the partial stress. Bodies with piecewise constant horizon can be modeled without ghost forces by using a simpler technique called a splice. As a limiting case of zero horizon, both the partial stress and splice techniques can be used to achieve local-nonlocal coupling. Computational examples, including dynamic fracture in a one-dimensional model with local-nonlocal coupling, illustrate the methods. C1 [Silling, Stewart A.; Littlewood, David J.] Sandia Natl Labs, Multiscale Sci Dept, POB 5800,MS 1322, Albuquerque, NM 87185 USA. [Seleson, Pablo] Oak Ridge Natl Lab, Comp Sci & Math Div, POB 2008, Oak Ridge, TN 37831 USA. RP Silling, SA (reprint author), Sandia Natl Labs, Multiscale Sci Dept, POB 5800,MS 1322, Albuquerque, NM 87185 USA. EM sasilli@sandia.gov; djlittl@sandia.gov; selesonpd@ornl.gov OI Seleson, Pablo/0000-0003-3279-4231 FU United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 29 TC 1 Z9 1 U1 2 U2 9 PU MATHEMATICAL SCIENCE PUBL PI BERKELEY PA UNIV CALIFORNIA, DEPT MATHEMATICS, BERKELEY, CA 94720-3840 USA SN 1559-3959 J9 J MECH MATER STRUCT JI J. Mech. Mater. Struct. PD DEC PY 2015 VL 10 IS 5 SI SI BP 591 EP 612 DI 10.2140/jomms.2015.10.591 PG 22 WC Materials Science, Multidisciplinary; Mechanics SC Materials Science; Mechanics GA DC0NL UT WOS:000368914200005 ER PT J AU Beck, MW Hagy, JD Murrell, MC AF Beck, Marcus W. Hagy, James D., III Murrell, Michael C. TI Improving estimates of ecosystem metabolism by reducing effects of tidal advection on dissolved oxygen time series SO LIMNOLOGY AND OCEANOGRAPHY-METHODS LA English DT Article ID LAKE METABOLISM; US ESTUARIES; EUTROPHICATION; VARIABILITY; RESPIRATION; DYNAMICS; DRIVERS; SYSTEM; BAY AB In aquatic systems, time series of dissolved oxygen (DO) have been used to compute estimates of ecosystem metabolism. Central to this open-water method is the assumption that the DO time series is a Lagrangian specification of the flow field. However, most DO time series are collected at fixed locations, such that changes in DO are assumed to reflect metabolism and that effects of advection or mixing are negligible. A weighted regression model was applied to remove variability in DO time series from tides, thereby helping to partially relax this assumption and improve metabolism estimates. The method offers a distinct advantage over traditional deconvulution methods by targeting the periodicity of the tidal component while preserving the true biological signal. The model was first applied to simulated DO time series with specified biological and physical characteristics, and then applied to 1 yr of continuous monitoring data from four stations within the National Estuarine Research Reserve System. The correlation of DO and metabolism estimates with tides was greatly reduced after using weighted regression. The model was especially effective when the magnitude of tidal influence was high and correlations between tidal change and the solar cycle were low at the time scales of interest. The model was less robust when tides and the solar cycle were correlated for protracted periods. By reducing the effects of physical transport on metabolism estimates, there may be increased potential to empirically relate metabolic rates to causal factors on timescales of several days to several weeks. C1 [Beck, Marcus W.] USEPA Natl Hlth & Environm Effects Res Lab, Gulf Ecol Div, ORISE Res Participat Program, Gulf Breeze, FL USA. [Hagy, James D., III; Murrell, Michael C.] USEPA Natl Hlth & Environm Effects Res Lab, Gulf Ecol Div, Gulf Breeze, FL USA. RP Beck, MW (reprint author), USEPA Natl Hlth & Environm Effects Res Lab, Gulf Ecol Div, ORISE Res Participat Program, Gulf Breeze, FL USA. EM beck.marcus@epa.gov NR 32 TC 1 Z9 1 U1 3 U2 9 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1541-5856 J9 LIMNOL OCEANOGR-METH JI Limnol. Oceanogr. Meth. PD DEC PY 2015 VL 13 IS 12 BP 731 EP 745 DI 10.1002/lom3.10062 PG 15 WC Limnology; Oceanography SC Marine & Freshwater Biology; Oceanography GA DB9CV UT WOS:000368814800006 ER PT J AU DeVore, MS Stich, DG Keller, AM Cleyrat, C Phipps, ME Hollingsworth, JA Lidke, DS Wilson, BS Goodwin, PM Werner, JH AF DeVore, M. S. Stich, D. G. Keller, A. M. Cleyrat, C. Phipps, M. E. Hollingsworth, J. A. Lidke, D. S. Wilson, B. S. Goodwin, P. M. Werner, J. H. TI Note: Time-gated 3D single quantum dot tracking with simultaneous spinning disk imaging SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID 3-DIMENSIONAL TRACKING; PARTICLE TRACKING; FLUORESCENT PARTICLES; LIVE CELLS; CONFOCAL MICROSCOPE; MOLECULE TRACKING; DYNAMICS; DIMENSIONS; RESOLUTION; NANOPARTICLES AB We describe recent upgrades to a 3D tracking microscope to include simultaneous Nipkow spinning disk imaging and time-gated single-particle tracking (SPT). Simultaneous 3D molecular tracking and spinning disk imaging enable the visualization of cellular structures and proteins around a given fluorescently labeled target molecule. The addition of photon time-gating to the SPT hardware improves signal to noise by discriminating against Raman scattering and short-lived fluorescence. In contrast to camera-based SPT, single-photon arrival times are recorded, enabling time-resolved spectroscopy (e.g., measurement of fluorescence lifetimes and photon correlations) to be performed during single molecule/particle tracking experiments. (C) 2015 AIP Publishing LLC. C1 [DeVore, M. S.; Stich, D. G.; Keller, A. M.; Phipps, M. E.; Hollingsworth, J. A.; Goodwin, P. M.; Werner, J. H.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Mail Stop G755, Los Alamos, NM 87545 USA. [Cleyrat, C.; Lidke, D. S.; Wilson, B. S.] Univ New Mexico, Dept Pathol, Albuquerque, NM 87131 USA. [Cleyrat, C.; Lidke, D. S.; Wilson, B. S.] Univ New Mexico, Canc Res & Treatment Ctr, Albuquerque, NM 87131 USA. RP Werner, JH (reprint author), Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Mail Stop G755, Los Alamos, NM 87545 USA. EM jwerner@lanl.gov RI Cleyrat, Cedric/F-1824-2016; OI Cleyrat, Cedric/0000-0002-1928-6497; Werner, James/0000-0002-7616-8913 FU National Institutes of Health [5R01AI097154]; New Mexico Spatiotemporal Modeling Center [P50GM0852673]; NIH [R01GM100114]; DOE Single Investigator Small Group Research Grant [2009LANL1096]; [P50 GM065794]; [R01AI051575] FX We acknowledge the National Institutes of Health (No. 5R01AI097154 to J.H.W.) for support of this work. This work was performed at the Center for Integrated Nanotechnologies, a U.S. Department of Energy, Office of Basic Energy Sciences user facility. Collaborative efforts were also supported by Nos. P50 GM065794 and R01AI051575 (B.S.W.), the New Mexico Spatiotemporal Modeling Center (No. P50GM0852673) and NIH No. R01GM100114 (D.S.L.), and a DOE Single Investigator Small Group Research Grant No. 2009LANL1096 (J.A.H.). NR 30 TC 0 Z9 0 U1 4 U2 8 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 DEC PY 2015 VL 86 IS 12 AR 126102 DI 10.1063/1.4937477 PG 3 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA DB6AG UT WOS:000368594900085 PM 26724083 ER PT J AU Hurley, DH Schley, RS Khafizov, M Wendt, BL AF Hurley, David H. Schley, Robert S. Khafizov, Marat Wendt, Brycen L. TI Local measurement of thermal conductivity and diffusivity SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID HEAT-FLOW; BURN-UP; DEFLECTION; FILMS AB Simultaneous measurement of local thermal diffusivity and conductivity is demonstrated on a range of ceramic samples. This was accomplished by measuring the temperature field spatial profile of samples excited by an amplitude modulated continuous wave laser beam. A thin gold film is applied to the samples to ensure strong optical absorption and to establish a second boundary condition that introduces an expression containing the substrate thermal conductivity. The diffusivity and conductivity are obtained by comparing the measured phase profile of the temperature field to a continuum based model. A sensitivity analysis is used to identify the optimal film thickness for extracting the both substrate conductivity and diffusivity. Proof of principle studies were conducted on a range of samples having thermal properties that are representatives of current and advanced accident tolerant nuclear fuels. It is shown that by including the Kapitza resistance as an additional fitting parameter, the measured conductivity and diffusivity of all the samples considered agreed closely with the literature values. A distinguishing feature of this technique is that it does not require a priori knowledge of the optical spot size which greatly increases measurement reliability and reproducibility. (C) 2015 AIP Publishing LLC. C1 [Hurley, David H.; Schley, Robert S.] Idaho Natl Lab, Mat Sci & Engn Dept, POB 1625, Idaho Falls, ID 83415 USA. [Khafizov, Marat] Ohio State Univ, Mech & Aerosp Engn Dept, Columbus, OH 43210 USA. [Wendt, Brycen L.] Idaho State Univ, Nucl Sci & Engn, Pocatello, ID 83209 USA. RP Hurley, DH (reprint author), Idaho Natl Lab, Mat Sci & Engn Dept, POB 1625, Idaho Falls, ID 83415 USA. RI Schley, Robert/B-9124-2017; Khafizov, Marat/B-3744-2012 OI Schley, Robert/0000-0001-8907-6535; Khafizov, Marat/0000-0001-8171-3528 NR 20 TC 1 Z9 1 U1 5 U2 24 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD DEC PY 2015 VL 86 IS 12 AR 123901 DI 10.1063/1.4936213 PG 8 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA DB6AG UT WOS:000368594900043 PM 26724041 ER PT J AU Macrander, AT AF Macrander, Albert T. TI Editorial: Reflections on my tenure as Editor-in-Chief of Review of Scientific Instruments SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Editorial Material C1 [Macrander, Albert T.] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. RP Macrander, AT (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. NR 0 TC 0 Z9 0 U1 1 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD DEC PY 2015 VL 86 IS 12 AR 120401 DI 10.1063/1.4939140 PG 1 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA DB6AG UT WOS:000368594900001 PM 26723998 ER PT J AU Makowska, MG Kuhn, LT Cleemann, LN Lauridsen, EM Bilheux, HZ Molaison, JJ Santodonato, LJ Tremsin, AS Grosse, M Morgano, M Kabra, S Strobl, M AF Makowska, Malgorzata G. Kuhn, Luise Theil Cleemann, Lars N. Lauridsen, Erik M. Bilheux, Hassina Z. Molaison, Jamie J. Santodonato, Louis J. Tremsin, Anton S. Grosse, Mirco Morgano, Manuel Kabra, Saurabh Strobl, Markus TI Flexible sample environment for high resolution neutron imaging at high temperatures in controlled atmosphere SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID OXIDE FUEL-CELLS; ZIRCONIUM ALLOYS; STEAM OXIDATION; TRANSMISSION; ENERGY; RADIOGRAPHY; HYDROGEN; TRENDS; SOFCS AB High material penetration by neutrons allows for experiments using sophisticated sample environments providing complex conditions. Thus, neutron imaging holds potential for performing in situ nondestructive measurements on large samples or even full technological systems, which are not possible with any other technique. This paper presents a new sample environment for in situ high resolution neutron imaging experiments at temperatures from room temperature up to 1100 degrees C and/or using controllable flow of reactive atmospheres. The design also offers the possibility to directly combine imaging with diffraction measurements. Design, special features, and specification of the furnace are described. In addition, examples of experiments successfully performed at various neutron facilities with the furnace, as well as examples of possible applications are presented. This covers a broad field of research from fundamental to technological investigations of various types of materials and components. (C) 2015 AIP Publishing LLC. C1 [Makowska, Malgorzata G.; Kuhn, Luise Theil; Cleemann, Lars N.] Tech Univ Denmark, Dept Energy Convers & Storage, DK-4000 Roskilde, Denmark. [Makowska, Malgorzata G.; Strobl, Markus] European Spallat Source ESS AB, SE-22100 Lund, Sweden. [Lauridsen, Erik M.] Xnovo Technol ApS, DK-4600 Koge, Denmark. [Bilheux, Hassina Z.; Molaison, Jamie J.; Santodonato, Louis J.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Tremsin, Anton S.] Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. [Grosse, Mirco] Karlsruhe Inst Technol, Inst Appl Mat Res, DE-76021 Karlsruhe, Germany. [Morgano, Manuel] Paul Scherrer Inst, CH-5232 Villigen, Switzerland. [Kabra, Saurabh] Rutherford Appleton Lab, ISIS, Chilton OX11 0QX, England. RP Makowska, MG (reprint author), Tech Univ Denmark, Dept Energy Convers & Storage, DK-4000 Roskilde, Denmark. EM malg@dtu.dk RI Cleemann, Lars/I-2801-2016; Santodonato, Louis/A-9523-2015; Bilheux, Hassina/H-4289-2012; OI Cleemann, Lars/0000-0001-5840-7477; Santodonato, Louis/0000-0002-4600-685X; Bilheux, Hassina/0000-0001-8574-2449; Makowska, Malgorzata/0000-0002-1767-6176; Lauridsen, Erik/0000-0002-4923-8373; Kuhn, Luise Theil/0000-0002-8403-1319 FU DanScatt; Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy FX The authors would like to acknowledge John Jonson, Johnny Egtved Jorgensen, Jan Skov Andersen, Troels Feld for help in designing and building the furnace; Dr. Dirk Wallacher for his advises regarding furnace design and DanScatt for financial support. A portion of research performed at ORNL's Spallation Neutron Source was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. NR 34 TC 3 Z9 3 U1 0 U2 11 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 DEC PY 2015 VL 86 IS 12 AR 125109 DI 10.1063/1.4937615 PG 9 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA DB6AG UT WOS:000368594900077 PM 26724075 ER PT J AU Rinderknecht, HG Rojas-Herrera, J Zylstra, AB Frenje, JA Johnson, MG Sio, H Sinenian, N Rosenberg, MJ Li, CK Seguin, FH Petrasso, RD Filkins, T Steidle, JA Steidle, JA Traynor, N Freeman, C AF Rinderknecht, H. G. Rojas-Herrera, J. Zylstra, A. B. Frenje, J. A. Johnson, M. Gatu Sio, H. Sinenian, N. Rosenberg, M. J. Li, C. K. Seguin, F. H. Petrasso, R. D. Filkins, T. Steidle, Jeffrey A. Steidle, Jessica A. Traynor, N. Freeman, C. TI Impact of x-ray dose on track formation and data analysis for CR-39-based proton diagnostics SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID NATIONAL IGNITION FACILITY; INERTIAL-FUSION IMPLOSIONS; CR-39; OMEGA; DETECTORS; SPECTRA; SYSTEM AB The nuclear track detector CR-39 is used extensively for charged particle diagnosis, in particular proton spectroscopy, at inertial confinement fusion facilities. These detectors can absorb x-ray doses from the experiments in the order of 1-100 Gy, the effects of which are not accounted for in the previous detector calibrations. X-ray dose absorbed in the CR-39 has previously been shown to affect the track size of alpha particles in the detector, primarily due to a measured reduction in the material bulk etch rate [Rojas-Herrera et al., Rev. Sci. Instrum. 86, 033501 (2015)]. Similar to the previous findings for alpha particles, protons with energies in the range 0.5-9.1 MeV are shown to produce tracks that are systematically smaller as a function of the absorbed x-ray dose in the CR-39. The reduction of track size due to x-ray dose is found to diminish with time between exposure and etching if the CR-39 is stored at ambient temperature, and complete recovery is observed after two weeks. The impact of this effect on the analysis of data from existing CR-39-based proton diagnostics on OMEGA and the National Ignition Facility is evaluated and best practices are proposed for cases in which the effect of x rays is significant. (C) 2015 AIP Publishing LLC. C1 [Rinderknecht, H. G.; Rojas-Herrera, J.; Zylstra, A. B.; Frenje, J. A.; Johnson, M. Gatu; Sio, H.; Sinenian, N.; Rosenberg, M. J.; Li, C. K.; Seguin, F. H.; Petrasso, R. D.] MIT, Cambridge, MA 02139 USA. [Filkins, T.; Steidle, Jessica A.; Traynor, N.; Freeman, C.] SUNY Coll Geneseo, Geneseo, NY 14454 USA. [Steidle, Jeffrey A.] Rochester Inst Technol, Rochester, NY 14623 USA. RP Rinderknecht, HG (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM rinderknecht1@llnl.gov OI /0000-0003-4969-5571 FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; U.S. DoE [DE-FG52-09NA29553]; LLNL [B580243]; LLE [414090-G]; Fusion Science Center at the University of Rochester [415023-G]; National Laser Users Facility [DE-NA0000877] FX The authors thank the engineering and operations staff at NIF, LLE, and MIT for their support. 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. This work was done in part for H. Rinderknecht's Ph.D. thesis and was supported in part by the U.S. DoE (No. DE-FG52-09NA29553), LLNL (No. B580243), LLE (No. 414090-G), the Fusion Science Center at the University of Rochester (No. 415023-G), and the National Laser Users Facility (No. DE-NA0000877). NR 44 TC 0 Z9 0 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 DEC PY 2015 VL 86 IS 12 AR 123511 DI 10.1063/1.4938161 PG 10 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA DB6AG UT WOS:000368594900033 PM 26724031 ER PT J AU Scotti, F Soukhanovskii, VA AF Scotti, F. Soukhanovskii, V. A. TI A dual wavelength imaging system for plasma-surface interaction studies on the National Spherical Torus Experiment Upgrade SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID ALCATOR C-MOD; NSTX; TEMPERATURE; TURBULENCE; DIVERTOR; TOKAMAK; HELIUM; CAMERA AB A two-channel spectral imaging system based on a charge injection device radiation-hardened intensified camera was built for studies of plasma-surface interactions on divertor plasma facing components in the National Spherical Torus Experiment Upgrade ( NSTX-U) tokamak. By means of commercially available mechanically referenced optical components, the two-wavelength setup images the light from the plasma, relayed by a fiber optic bundle, at two different wavelengths side-by-side on the same detector. Remotely controlled filter wheels are used for narrow bandpass and neutral density filters on each optical path allowing for simultaneous imaging of emission at wavelengths differing in brightness up to 3 orders of magnitude. Applications on NSTX-U will include the measurement of impurity influxes in the lower divertor strike point region and the imaging of plasma-material interaction on the head of the surface analysis probe MAPP ( Material Analysis and Particle Probe). The diagnostic setup and initial results from its application on the lithium tokamak experiment are presented. (C) 2015 AIP Publishing LLC. C1 [Scotti, F.; Soukhanovskii, V. A.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Scotti, F (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. FU U.S. DOE [DE-AC02-09CH11466, DE-AC52-07NA27344] FX The authors would like to thank Dr. R. E. Bell and A. L. Roquemore for useful discussions, Dr. S. L. Allen, Dr. M. E. Fenstermacher, Dr. B. Stratton, and Dr. R. Kaita for diagnostic support, Professor J. P. Allain for useful discussions and MAPP support, A. Brereton for engineering drawings, and Dr. R. Majeski, Dr. J. Schmitt, D. Boyle, M. Lucia, and the rest of the LTX Team for help in the setup and for LTX operation. The digital data for this paper can be found in http://arks.princeton.edu/ark:/88435/dsp018p58pg29j. This work was supported by U.S. DOE Contract Nos. DE-AC02-09CH11466 and DE-AC52-07NA27344. NR 35 TC 2 Z9 2 U1 4 U2 10 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 DEC PY 2015 VL 86 IS 12 AR 123103 DI 10.1063/1.4935609 PG 10 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA DB6AG UT WOS:000368594900004 PM 26724002 ER PT J AU Simpson, R Christensen, K Danly, C Fatherley, VE Fittinghoff, D Grim, GP Izumi, N Jedlovec, D Merrill, FE Skulina, K Volegov, P Wilde, C AF Simpson, R. Christensen, K. Danly, C. Fatherley, V. E. Fittinghoff, D. Grim, G. P. Izumi, N. Jedlovec, D. Merrill, F. E. Skulina, K. Volegov, P. Wilde, C. TI Demonstration of a time-integrated short line of sight neutron imaging system for inertial confinement fusion SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID RADIOGRAPHY; PLATE AB The Neutron Imaging System (NIS) is an important diagnostic for understanding implosions of deuterium-tritium capsules at the National Ignition Facility. While the detectors for the existing system must be positioned 28 m from the source to produce sufficient imaging magnification and resolution, recent testing of a new short line of sight neutron imaging system has shown sufficient resolution to allow reconstruction of the source image with quality similar to that of the existing NIS on a 11.6 m line of sight. The new system used the existing pinhole aperture array and a stack of detectors composed of 2 mm thick high-density polyethylene converter material followed by an image plate. In these detectors, neutrons enter the converter material and interact with protons, which recoil and deposit energy within the thin active layer of the image plate through ionization losses. The described system produces time-integrated images for all neutron energies passing through the pinhole. We present details of the measurement scheme for this novel technique to produce energy-integrated neutron images as well as source reconstruction results from recent experiments at NIF. (C) 2015 AIP Publishing LLC. C1 [Simpson, R.; Danly, C.; Fatherley, V. E.; Merrill, F. E.; Volegov, P.; Wilde, C.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Christensen, K.; Fittinghoff, D.; Grim, G. P.; Izumi, N.; Jedlovec, D.; Skulina, K.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Simpson, R (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. EM raspberry@lanl.gov RI IZUMI, Nobuhiko/J-8487-2016 OI IZUMI, Nobuhiko/0000-0003-1114-597X FU U.S. Department of Energy FX Additional credit goes to the dedicated staff and technicians of NIF including Lee Caldeira and Gary Stone, whose hard work and operational expertise provided the data that are shown here. This work has been performed under the auspices of the U.S. Department of Energy for NNSA Campaign 10 (Inertial Confinement Fusion) with Steve Batha as program manager. NR 11 TC 1 Z9 1 U1 0 U2 6 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 DEC PY 2015 VL 86 IS 12 AR 125112 DI 10.1063/1.4938543 PG 5 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA DB6AG UT WOS:000368594900080 PM 26724078 ER PT J AU Stern, I Chisholm, AA Hoskins, J Sikivie, P Sullivan, NS Tanner, DB Carosi, G van Bibber, K AF Stern, I. Chisholm, A. A. Hoskins, J. Sikivie, P. Sullivan, N. S. Tanner, D. B. Carosi, G. van Bibber, K. TI Cavity design for high-frequency axion dark matter detectors SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID INVISIBLE-AXION; HARMLESS AXION; CP INVARIANCE; SEARCHES AB In an effort to extend the usefulness of microwave cavity detectors to higher axion masses, above similar to 8 mu eV (similar to 2 GHz), a numerical trade study of cavities was conducted to investigate the merit of using variable periodic post arrays and regulating vane designs for higher-frequency searches. The results show that both designs could be used to develop resonant cavities for high-mass axion searches. Multiple configurations of both methods obtained the scanning sensitivity equivalent to approximately 4 coherently coupled cavities with a single tuning rod. (C) 2015 AIP Publishing LLC. C1 [Stern, I.; Chisholm, A. A.; Hoskins, J.; Sikivie, P.; Sullivan, N. S.; Tanner, D. B.] Univ Florida, Dept Phys, Gainesville, FL 32611 USA. [Carosi, G.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [van Bibber, K.] Univ Calif Berkeley, Dept Nucl Engn, Berkeley, CA 94720 USA. RP Stern, I (reprint author), Univ Florida, Dept Phys, Gainesville, FL 32611 USA. OI Stern, Ian/0000-0002-1166-465X FU U.S. Department of Defense through the National Defense Science and Engineering Graduate Fellowship Program; National Aeronautics and Space Administration through the Florida Space Research Program; Department of Energy at the University of Florida [DE-SC0010280]; Department of Energy at Lawrence Livermore National Laboratory [DEAC52-07NA27344]; National Science Foundation at the University of California Berkeley [PHY-1306729] FX I.S. acknowledges support by the U.S. Department of Defense through the National Defense Science and Engineering Graduate Fellowship Program and the National Aeronautics and Space Administration through the Florida Space Research Program. This work was supported in part by the Department of Energy under Grant No. DE-SC0010280 at the University of Florida and under Contract No. DEAC52-07NA27344 at Lawrence Livermore National Laboratory, and in part by the National Science Foundation under Grant No. PHY-1306729 at the University of California Berkeley. NR 31 TC 0 Z9 0 U1 1 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD DEC PY 2015 VL 86 IS 12 AR 123305 DI 10.1063/1.4938164 PG 10 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA DB6AG UT WOS:000368594900022 PM 26724020 ER PT J AU Torikachvili, MS Kim, SK Colombier, E Bud'ko, SL Canfield, PC AF Torikachvili, M. S. Kim, S. K. Colombier, E. Bud'ko, S. L. Canfield, P. C. TI Solidification and loss of hydrostaticity in liquid media used for pressure measurements SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID LIMITS; CELL; TRANSITIONS AB We carried out a study of the pressure dependence of the solidification temperature in nine pressure transmitting media that are liquid at ambient temperature, under pressures up to 2.3 GPa. These fluids are 1:1 isopentane/n-pentane, 4:6 light mineral oil/n-pentane, 1:1 isoamyl alcohol/n-pentane, 4:1 methanol/ethanol, 1:1 FC72/FC84 (Fluorinert), Daphne 7373, isopentane, and Dow Corning PMX silicone oils 200 and 60 000 cS. We relied on the high sensitivity of the electrical resistivity of Ba(Fe1-xRux)(2)As-2 single crystals to the freezing of the pressure media and cross-checked with corresponding anomalies observed in the resistance of the manganin coil that served as the ambient temperature resistive manometer. In addition to establishing the temperature-pressure line separating the liquid (hydrostatic) and frozen (non-hydrostatic) phases, these data permit rough estimates of the freezing pressure of these media at ambient temperature. This pressure establishes the extreme limit for the medium to be considered hydrostatic. For higher applied pressures, the medium has to be treated as non-hydrostatic. (C) 2015 AIP Publishing LLC. C1 [Torikachvili, M. S.] San Diego State Univ, Dept Phys, San Diego, CA 92182 USA. [Kim, S. K.; Colombier, E.; Bud'ko, S. L.; Canfield, P. C.] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. [Kim, S. K.; Colombier, E.; Bud'ko, S. L.; Canfield, P. C.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. RP Colombier, E (reprint author), Netceler, 5 Ave Gare, F-26300 Alixan, France. FU NSF [DMR-0805335]; U.S. Department of Energy, Basic Energy Sciences, Division of Materials Sciences and Engineering [DE-AC02-07CH11358] FX The authors are grateful to Dr. Alexander Thaler for participating in the synthesis of the samples for this research. Support from NSF Grant No. DMR-0805335 for the work at SDSU is gratefully acknowledged. Work at the Ames Laboratory was supported by the U.S. Department of Energy, Basic Energy Sciences, Division of Materials Sciences and Engineering under Contract No. DE-AC02-07CH11358. NR 24 TC 3 Z9 3 U1 9 U2 14 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 DEC PY 2015 VL 86 IS 12 AR 123904 DI 10.1063/1.4937478 PG 7 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA DB6AG UT WOS:000368594900046 PM 26724044 ER PT J AU Yashchuk, VV Fischer, PJ Chan, ER Conley, R McKinney, WR Artemiev, NA Bouet, N Cabrini, S Calafiore, G Lacey, I Peroz, C Babin, S AF Yashchuk, V. V. Fischer, P. J. Chan, E. R. Conley, R. McKinney, W. R. Artemiev, N. A. Bouet, N. Cabrini, S. Calafiore, G. Lacey, I. Peroz, C. Babin, S. TI Binary pseudo-random patterned structures for modulation transfer function calibration and resolution characterization of a full-field transmission soft x-ray microscope SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID CROSS-CORRELATION CHOPPER; UNIFORMLY REDUNDANT ARRAYS; OF-FLIGHT SPECTROMETER; POWER AB We present a modulation transfer function (MTF) calibration method based on binary pseudo-random (BPR) one-dimensional sequences and two-dimensional arrays as an effective method for spectral characterization in the spatial frequency domain of a broad variety of metrology instrumentation, including interferometric microscopes, scatterometers, phase shifting Fizeau interferometers, scanning and transmission electron microscopes, and at this time, x-ray microscopes. The inherent power spectral density of BPR gratings and arrays, which has a deterministic white-noise-like character, allows a direct determination of the MTF with a uniform sensitivity over the entire spatial frequency range and field of view of an instrument. We demonstrate the MTF calibration and resolution characterization over the full field of a transmission soft x-ray microscope using a BPR multilayer (ML) test sample with 2.8 nm fundamental layer thickness. We show that beyond providing a direct measurement of the microscope's MTF, tests with the BPRML sample can be used to fine tune the instrument's focal distance. Our results confirm the universality of the method that makes it applicable to a large variety of metrology instrumentation with spatial wavelength bandwidths from a few nanometers to hundreds of millimeters. (C) 2015 AIP Publishing LLC. C1 [Yashchuk, V. V.; Chan, E. R.; McKinney, W. R.; Artemiev, N. A.; Lacey, I.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Fischer, P. J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Ctr Xray Opt, Berkeley, CA 94720 USA. [Fischer, P. J.] Univ Calif Santa Cruz, Dept Phys, Santa Cruz, CA 94056 USA. [Conley, R.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Conley, R.; Bouet, N.] Brookhaven Natl Lab, Natl Synchrotron Light Source 2, Upton, NY 11973 USA. [McKinney, W. R.] Diablo Valley Coll, Pleasant Hill, CA 94523 USA. [Artemiev, N. A.] KLA Tencor Corp, Milpitas, CA 95035 USA. [Cabrini, S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. [Calafiore, G.; Peroz, C.; Babin, S.] aBeam Technol Inc, Hayward, CA 94541 USA. RP Yashchuk, VV (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. EM VVYashchuk@lbl.gov RI Fischer, Peter/A-3020-2010; OI Fischer, Peter/0000-0002-9824-9343; Bouet, Nathalie/0000-0002-5816-9429; Artemiev, Nikolay/0000-0002-0251-545X; McKinney, Wayne/0000-0003-2586-3139 FU UC Office of the President, Proof of Concept Grant [268826]; U.S. Department of Energy Office of Science, Office of Basic Energy Sciences Energy Small Business Technology Transfer (STTR) program [DE-SC0011352]; Office of Science, Office of Basic Energy Sciences, Material Science Division of the U.S. Department of Energy at Lawrence Berkeley National Laboratory [DE-AC02-05CH11231]; U.S. Department of Energy [DE-AC02-98CH10886, DE-AC02-06CH11357]; Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division of the U.S. Department of Energy [DE-AC02-05-CH11231]; Leading Foreign Research Institute Recruitment Program through the National Research Foundation of Korea (NRF) - Ministry of Education, Science, and Technology (MEST) [2012K1A4A3053565]; United States Government FX The authors are grateful to David Susnitzky, Mark Izquierdo, and Udit Sharma for the FIB/SEM sample preparation and the TEM measurements. This work was supported in part by the UC Office of the President, Proof of Concept Grant ID No. 268826 and by the U.S. Department of Energy Office of Science, Office of Basic Energy Sciences Energy Small Business Technology Transfer (STTR) program under Award No. DE-SC0011352. The Advanced Light Source and the Molecular Foundry are supported by the Director, Office of Science, Office of Basic Energy Sciences, Material Science Division of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231 at Lawrence Berkeley National Laboratory. Research at Brookhaven National Laboratory is sponsored by the U.S. Department of Energy under Contract No. DE-AC02-98CH10886. Research at Argonne National Laboratory is sponsored by the U.S. Department of Energy under Contract No. DE-AC02-06CH11357. P.F. acknowledges support by the Director, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division of the U.S. Department of Energy under Contract No. DE-AC02-05-CH11231 and the Leading Foreign Research Institute Recruitment Program (Grant No. 2012K1A4A3053565) through the National Research Foundation of Korea (NRF) funded by the Ministry of Education, Science, and Technology (MEST).; This document was prepared as an account of work sponsored by the United States Government. While this document is believed to contain correct information, neither the United States Government nor any agency thereof, nor The Regents of the University of California, nor any of their employees, makes any warranty, express or implied, or assumes any legal responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by its trade name, trademark, manufacturer, or otherwise, does not necessarily constitute or imply its endorsement, recommendation, or favor by the United States Government or any agency thereof, or The Regents of the University of California. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States Government or any agency thereof or The Regents of the University of California. NR 52 TC 1 Z9 1 U1 2 U2 6 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 DEC PY 2015 VL 86 IS 12 AR 123702 DI 10.1063/1.4936752 PG 12 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA DB6AG UT WOS:000368594900039 PM 26724037 ER PT J AU Sakaguchi, K Nagatsuma, T Reeves, GD Spence, HE AF Sakaguchi, Kaori Nagatsuma, Tsutomu Reeves, Geoffrey D. Spence, Harlan E. TI Prediction of MeV electron fluxes throughout the outer radiation belt using multivariate autoregressive models SO SPACE WEATHER-THE INTERNATIONAL JOURNAL OF RESEARCH AND APPLICATIONS LA English DT Article ID SPACE WEATHER FORECAST; GEOSYNCHRONOUS ORBIT; LINEAR PREDICTION; KALMAN FILTER; SOLAR-WIND; SIMULATION; INTENSITY AB The Van Allen radiation belts surrounding the Earth are filled with MeV-energy electrons. This region poses ionizing radiation risks for spacecraft that operate within it, including those in geostationary orbit (GEO) and medium Earth orbit. To provide alerts of electron flux enhancements, 16 prediction models of the electron log-flux variation throughout the equatorial outer radiation belt as a function of the McIlwain L parameter were developed using the multivariate autoregressive model and Kalman filter. Measurements of omnidirectional 2.3 MeV electron flux from the Van Allen Probes mission as well as > 2 MeV electrons from the GOES 15 spacecraft were used as the predictors. Model explanatory parameters were selected from solar wind parameters, the electron log-flux at GEO, and geomagnetic indices. For the innermost region of the outer radiation belt, the electron flux is best predicted by using the Dst index as the sole input parameter. For the central to outermost regions, at L >= 4.8 and L >= 5.6, the electron flux is predicted most accurately by including also the solar wind velocity and then the dynamic pressure, respectively. The Dst index is the best overall single parameter for predicting at 3 <= L <= 6, while for the GEO flux prediction, the K-P index is better than Dst. A test calculation demonstrates that the model successfully predicts the timing and location of the flux maximum as much as 2 days in advance and that the electron flux decreases faster with time at higher L values, both model features consistent with the actually observed behavior. C1 [Sakaguchi, Kaori; Nagatsuma, Tsutomu] Natl Inst Informat & Commun Technol, 4-2-1 Nukuikitamachi, Koganei, Tokyo 1848795, Japan. [Reeves, Geoffrey D.] Los Alamos Natl Lab, Los Alamos, NM USA. [Spence, Harlan E.] Univ New Hampshire, Inst Study Earth Oceans & Space, Durham, NH 03824 USA. RP Sakaguchi, K (reprint author), Natl Inst Informat & Commun Technol, 4-2-1 Nukuikitamachi, Koganei, Tokyo 1848795, Japan. EM kaoris@nict.go.jp RI Reeves, Geoffrey/E-8101-2011; OI Reeves, Geoffrey/0000-0002-7985-8098; Nagatsuma, Tsutomu/0000-0002-9334-0738 FU RBSP-ECT; JHU/APL [967399]; NASA's Prime [NAS5-01072] FX The authors thank the RBSP-ECT team for providing the REPT data, which are supported by RBSP-ECT funding provided by JHU/APL contract 967399 under NASA's Prime contract NAS5-01072. The solar wind parameters and geomagnetic indices are provided from the OMNIWeb Plus (http://omniweb.gsfc.nasa.gov) at the Space Physics Data Facility, Goddard Space Flight Center. We thank the World Data Center for Geomagnetism, Kyoto, operated by Data Analysis Center for Geomagnetism and Space Magnetism at Kyoto University, for providing Dst and AE indices. We thank the GFZ German Research Centre for Geosciences for providing KP indices. We also thank the Space Weather Prediction Center, NOAA, for providing the GOES satellite data. NR 34 TC 2 Z9 2 U1 0 U2 1 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 DEC PY 2015 VL 13 IS 12 BP 853 EP 867 DI 10.1002/2015SW001254 PG 15 WC Astronomy & Astrophysics; Geochemistry & Geophysics; Meteorology & Atmospheric Sciences SC Astronomy & Astrophysics; Geochemistry & Geophysics; Meteorology & Atmospheric Sciences GA DC3ZM UT WOS:000369159300006 ER PT J AU Carmack, E Polyakov, I Padman, L Fer, I Hunke, E Hutchings, J Jackson, J Kelley, D Kwok, R Layton, C Melling, H Perovich, D Persson, O Ruddick, B Timmermans, ML Toole, J Ross, T Vavrus, S Winsor, P AF Carmack, E. Polyakov, I. Padman, L. Fer, I. Hunke, E. Hutchings, J. Jackson, J. Kelley, D. Kwok, R. Layton, C. Melling, H. Perovich, D. Persson, O. Ruddick, B. Timmermans, M. -L. Toole, J. Ross, T. Vavrus, S. Winsor, P. TI TOWARD QUANTIFYING THE INCREASING ROLE OF OCEANIC HEAT IN SEA ICE LOSS IN THE NEW ARCTIC SO BULLETIN OF THE AMERICAN METEOROLOGICAL SOCIETY LA English DT Article ID HORIZONTAL DENSITY STRUCTURE; ATLANTIC WATER; BOUNDARY CURRENT; FRAM STRAIT; INTERNAL WAVES; BEAUFORT SEA; YERMAK PLATEAU; PACIFIC WATER; SURFACE-LAYER; CANADA BASIN AB The loss of Arctic sea ice has emerged as a leading signal of global warming. This, together with acknowledged impacts on other components of the Earth system, has led to the term the new Arctic. Global coupled climate models predict that ice loss will continue through the twenty-first century, with implications for governance, economics, security, and global weather. A wide range in model projections reflects the complex, highly coupled interactions between the polar atmosphere, ocean, and cryosphere, including teleconnections to lower latitudes. This paper summarizes our present understanding of how heat reaches the ice base from the original sourcesinflows of Atlantic and Pacific Water, river discharge, and summer sensible heat and shortwave radiative fluxes at the ocean/ice surfaceand speculates on how such processes may change in the new Arctic. The complexity of the coupled Arctic system, and the logistic and technological challenges of working in the Arctic Ocean, require a coordinated interdisciplinary and international program that will not only improve understanding of this critical component of global climate but will also provide opportunities to develop human resources with the skills required to tackle related problems in complex climate systems. We propose a research strategy with components that include 1) improved mapping of the upper- and middepth Arctic Ocean, 2) enhanced quantification of important process, 3) expanded long-term monitoring at key heat-flux locations, and 4) development of numerical capabilities that focus on parameterization of heat-flux mechanisms and their interactions. C1 [Carmack, E.] Fisheries & Oceans Canada, Sidney, BC, Canada. [Carmack, E.] Univ Alaska Fairbanks, Coll Nat Sci & Math, Fairbanks, AK USA. [Polyakov, I.] Univ Alaska Fairbanks, Int Arct Res Ctr, Fairbanks, AK USA. [Polyakov, I.] Univ Alaska Fairbanks, Coll Nat Sci & Math, Fairbanks, AK USA. [Padman, L.] Earth & Space Res, Corvallis, OR USA. [Fer, I.] Univ Bergen, Inst Geophys, Bergen, Norway. [Fer, I.] Univ Bergen, Bjerknes Ctr Climate Res, Bergen, Norway. [Hunke, E.] Los Alamos Natl Lab, Los Alamos, NM USA. [Hutchings, J.] Oregon State Univ, Corvallis, OR 97331 USA. [Jackson, J.] Hakai Inst, Heriot Bay, BC, Canada. [Kelley, D.; Layton, C.; Ruddick, B.] Dalhousie Univ, Halifax, NS, Canada. [Kwok, R.] CALTECH, Jet Prop Lab, Pasadena, CA USA. [Melling, H.] Fisheries & Oceans Canada, Sidney, BC, Canada. [Perovich, D.] US Army, Cold Reg Res & Engn Lab, Hanover, NH 03755 USA. [Persson, O.] Univ Colorado, Cooperat Inst Res Environm Sci, Boulder, CO 80309 USA. [Timmermans, M. -L.] Yale Univ, New Haven, CT USA. [Toole, J.] Woods Hole Oceanog Inst, Woods Hole, MA 02543 USA. [Vavrus, S.] Univ Wisconsin, Ctr Climat Res, Madison, WI USA. [Winsor, P.] Univ Alaska Fairbanks, Inst Marine Sci, Fairbanks, AK USA. RP Polyakov, I (reprint author), UAF, IARC, POB 757335, Fairbanks, AK 99775 USA. EM igor@iarc.uaf.edu RI Kwok, Ron/A-9762-2008; OI Kwok, Ron/0000-0003-4051-5896; Jackson, Jennifer/0000-0002-2318-8814 FU IARC; College of Natural Science and Mathematics, University of Alaska Fairbanks FX The document reflects contributions and discussions from a Sydney Chapman Chair workshop entitled "An Untersteiner Workshop: On the Role and Consequences of Ocean Heat Flux in Sea Ice Melt," held 19-21 March 2013 at the International Arctic Research Center (IARC) at the University of Alaska Fairbanks. We deeply appreciate the logistics support offer by L. Hinzman, and staff of IARC, and financial support provided by IARC and by the College of Natural Science and Mathematics, University of Alaska Fairbanks. NR 219 TC 11 Z9 11 U1 12 U2 38 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 0003-0007 EI 1520-0477 J9 B AM METEOROL SOC JI Bull. Amer. Meteorol. Soc. PD DEC PY 2015 VL 96 IS 12 BP 2079 EP 2105 DI 10.1175/BAMS-D-13-00177.1 PG 27 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA DB4RP UT WOS:000368501100001 ER PT J AU Yoon, JH Wang, SYS Gillies, RR Hipps, L Kravitz, B Rasch, PJ AF Yoon, Jin-Ho Wang, S. -Y. Simon Gillies, Robert R. Hipps, Lawrence Kravitz, Ben Rasch, Philip J. TI EXTREME FIRE SEASON IN CALIFORNIA: A GLIMPSE INTO THE FUTURE? SO BULLETIN OF THE AMERICAN METEOROLOGICAL SOCIETY LA English DT Article ID WESTERN UNITED-STATES; WILDFIRE ACTIVITY; CLIMATE-CHANGE; PRECIPITATION; DROUGHT; MODEL; ENSEMBLE; TRENDS; IMPACT; RISK C1 [Yoon, Jin-Ho; Kravitz, Ben; Rasch, Philip J.] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. [Wang, S. -Y. Simon; Gillies, Robert R.; Hipps, Lawrence] Utah State Univ, Utah Climate Ctr, Dept Plants Soils & Climate, Logan, UT 84322 USA. RP Yoon, JH (reprint author), Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. RI YOON, JIN-HO/A-1672-2009 OI YOON, JIN-HO/0000-0002-4939-8078 FU Earth System Modeling program in the Office of Science/DOE; WaterSMART grant from the Bureau of Reclamation; NSF; DOE; Department of Energy [DEAC05-76RLO1830] FX Research by Yoon, Kravitz, and Rasch was supported by the Earth System Modeling program in the Office of Science/DOE and Wang, and Gillies by the WaterSMART grant from the Bureau of Reclamation. Computation was done at the National Energy Research Scientific Computing Center and the Environmental Molecular Sciences Laboratory at PNNL. CESM1 is supported by the NSF and DOE. PNNL is operated for the Department of Energy by Battelle Memorial Institute under Contract DEAC05-76RLO1830. NR 26 TC 5 Z9 5 U1 4 U2 14 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 0003-0007 EI 1520-0477 J9 B AM METEOROL SOC JI Bull. Amer. Meteorol. Soc. PD DEC PY 2015 VL 96 IS 12 BP S5 EP S9 DI 10.1175/BAMS-D-15-00114.1 PG 5 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA DB4SL UT WOS:000368503300002 ER PT J AU David, MM Cecillon, S Warne, BM Prestat, E Jansson, JK Vogel, TM AF David, Maude M. Cecillon, Sebastien Warne, Brett M. Prestat, Emmanuel Jansson, Janet K. Vogel, Timothy M. TI Microbial ecology of chlorinated solvent biodegradation SO ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID PHYLOGENETIC MICROARRAY ANALYSIS; DEHALOCOCCOIDES SP STRAIN; VINYL-CHLORIDE REDUCTASE; BALTIC SEA SEDIMENTS; BROMODEOXYURIDINE IMMUNOCAPTURE; GENOME SEQUENCE; COMMUNITY; BACTERIA; DECHLORINATION; RNA AB This study focused on the microbial ecology of tetrachloroethene (PCE) degradation to trichloroethene, cis-1,2-dichloroethene and vinyl chloride to evaluate the relationship between the microbial community and the potential accumulation or degradation of these toxic metabolites. Multiple soil microcosms supplied with different organic substrates were artificially contaminated with PCE. A thymidine analogue, bromodeoxyuridine (BrdU), was added to the microcosms and incorporated into the DNA of actively replicating cells. We compared the total and active bacterial communities during the 50-day incubations by using phylogenic microarrays and 454 pyrosequencing to identify microorganisms and functional genes associated with PCE degradation to ethene. By use of this integrative approach, both the key community members and the ecological functions concomitant with complete PCE degradation could be determined, including the presence and activity of microbial community members responsible for producing hydrogen and acetate, which are critical for Dehalococcoides-mediated PCE degradation. In addition, by correlation of chemical data and phylogenic microarray data, we identified several bacteria that could potentially oxidize hydrogen. These results demonstrate that PCE degradation is dependent on some microbial community members for production of appropriate metabolites, while other members of the community compete for hydrogen in soil at low redox potentials. C1 [David, Maude M.; Cecillon, Sebastien; Prestat, Emmanuel; Vogel, Timothy M.] Univ Lyon, Ecole Cent Lyon, Environm Microbial Genom Grp, Lab Ampere,CNRS UMR 5005, 36 Ave Guy Collongue, F-69134 Ecully, France. [David, Maude M.; Jansson, Janet K.] Lawrence Berkeley Natl Lab, Div Earth Sci, Dept Ecol, Berkeley, CA USA. [Warne, Brett M.] MIT, 77 Massachusetts Ave, Cambridge, MA 02139 USA. RP Vogel, TM (reprint author), Univ Lyon, Ecole Cent Lyon, Environm Microbial Genom Grp, Lab Ampere,CNRS UMR 5005, 36 Ave Guy Collongue, F-69134 Ecully, France. EM timothy.vogel@ec-lyon.fr OI Vogel, Timothy/0000-0002-9542-3246 FU Rhone-Alpes region; French National Research agency (Agence National de la Recherche); Office of Science of the US Department of Energy [DE-AC02-05CH11231] FX We thank the Rhone-Alpes region for MMD financial support via doctoral fellowship and the French National Research agency (Agence National de la Recherche) for funding the project EVASOL. We also thank the European Union 6th PCRT OSIRIS project. The work conducted by the Lawrence Berkeley National Laboratory Earth Sciences Division (Laboratory Directed Research Development) was supported in part by the Office of Science of the US Department of Energy under Contract no. DE-AC02-05CH11231. We thank Taylor Holliday for his help with the visualization data program. NR 37 TC 3 Z9 3 U1 8 U2 26 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1462-2912 EI 1462-2920 J9 ENVIRON MICROBIOL JI Environ. Microbiol. PD DEC PY 2015 VL 17 IS 12 BP 4835 EP 4850 DI 10.1111/1462-2920.12413 PG 16 WC Microbiology SC Microbiology GA DB4BN UT WOS:000368457800003 PM 24517489 ER PT J AU Nobu, MK Narihiro, T Tamaki, H Qiu, YL Sekiguchi, Y Woyke, T Goodwin, L Davenport, KW Kamagata, Y Liu, WT AF Nobu, Masaru K. Narihiro, Takashi Tamaki, Hideyuki Qiu, Yan-Ling Sekiguchi, Yuji Woyke, Tanja Goodwin, Lynne Davenport, Karen W. Kamagata, Yoichi Liu, Wen-Tso TI The genome of Syntrophorhabdus aromaticivorans strain UI provides new insights for syntrophic aromatic compound metabolism and electron flow SO ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID ANAEROBIC BENZOATE DEGRADATION; BACTERIUM THAUERA-AROMATICA; DEGRADES FATTY-ACIDS; IRON-SULFUR PROTEINS; CLOSTRIDIUM-HYDROXYBENZOICUM; GEOBACTER-METALLIREDUCENS; RHODOBACTER-CAPSULATUS; METHANOGENIC CONSORTIA; DESULFOVIBRIO-VULGARIS; ENERGY-CONSERVATION AB How aromatic compounds are degraded in various anaerobic ecosystems (e.g. groundwater, sediments, soils and wastewater) is currently poorly understood. Under methanogenic conditions (i.e. groundwater and wastewater treatment), syntrophic metabolizers are known to play an important role. This study explored the draft genome of Syntrophorhabdus aromaticivorans strain UI and identified the first syntrophic phenol-degrading phenylphosphate synthase (PpsAB) and phenylphosphate carboxylase (PpcABCD) and syntrophic terephthalate-degrading decarboxylase complexes. The strain UI genome also encodes benzoate degradation through hydration of the dienoyl-coenzyme A intermediate as observed in Geobacter metallireducens and Syntrophus aciditrophicus. Strain UI possesses electron transfer flavoproteins, hydrogenases and formate dehydrogenases essential for syntrophic metabolism. However, the biochemical mechanisms for electron transport between these H-2/formate-generating proteins and syntrophic substrate degradation remain unknown for many syntrophic metabolizers, including strain UI. Analysis of the strain UI genome revealed that heterodisulfide reductases (HdrABC), which are poorly understood electron transfer genes, may contribute to syntrophic H-2 and formate generation. The genome analysis further identified a putative ion-translocating ferredoxin : NADH oxidoreductase (IfoAB) that may interact with HdrABC and dissimilatory sulfite reductase gamma subunit (DsrC) to perform novel electron transfer mechanisms associated with syntrophic metabolism. C1 [Nobu, Masaru K.; Narihiro, Takashi; Tamaki, Hideyuki; Liu, Wen-Tso] Univ Illinois, Dept Civil & Environm Engn, Urbana, IL USA. [Narihiro, Takashi; Tamaki, Hideyuki; Kamagata, Yoichi] Natl Inst Adv Ind Sci & Technol, Bioprod Res Inst, Tsukuba, Ibaraki, Japan. [Sekiguchi, Yuji] Natl Inst Adv Ind Sci & Technol, Biomed Res Inst, Tsukuba, Ibaraki, Japan. [Qiu, Yan-Ling] Chinese Acad Sci, Qingdao Inst Bioenergy & Bioproc Technol, Key Lab Biofuels, Qingdao, Shandong, Peoples R China. [Woyke, Tanja] DOE Joint Genome Inst, Walnut Creek, CA USA. [Goodwin, Lynne; Davenport, Karen W.] Los Alamos Natl Lab, Los Alamos, NM USA. [Kamagata, Yoichi] Natl Inst of Adv Ind Sci & Technol AIST, Bioprod Res Inst, Toyohira Ku, Sapporo, Hokkaido, Japan. RP Liu, WT (reprint author), Univ Illinois, Dept Civil & Environm Engn, Urbana, IL USA. EM wtliu@illinois.edu RI Narihiro, Takashi/L-8617-2016; Tamaki, Hideyuki/M-9863-2016 OI Narihiro, Takashi/0000-0003-2936-7204; FU Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231]; U.S. Department of Energy [DE-SC0006771] FX The authors thank Professor Michael McInerney for valuable advice and discussion on aromatic metabolism and syntrophic electron flow. The work conducted by the U.S. Department of Energy Joint Genome Institute is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. This work is also supported by the U.S. Department of Energy under Award DE-SC0006771 to the University of Illinois, Urbana-Champaign. NR 64 TC 9 Z9 9 U1 10 U2 21 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1462-2912 EI 1462-2920 J9 ENVIRON MICROBIOL JI Environ. Microbiol. PD DEC PY 2015 VL 17 IS 12 BP 4861 EP 4872 DI 10.1111/1462-2920.12444 PG 12 WC Microbiology SC Microbiology GA DB4BN UT WOS:000368457800005 PM 24589017 ER PT J AU Men, Y Seth, EC Yi, S Crofts, TS Allen, RH Taga, ME Alvarez-Cohen, L AF Men, Yujie Seth, Erica C. Yi, Shan Crofts, Terence S. Allen, Robert H. Taga, Michiko E. Alvarez-Cohen, Lisa TI Identification of specific corrinoids reveals corrinoid modification in dechlorinating microbial communities SO ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID TETRACHLOROETHENE REDUCTIVE DEHALOGENASE; LOWER LIGAND; DEHALOCOCCOIDES-MCCARTYI; VINYL-CHLORIDE; METHANOBACTERIUM-THERMOAUTOTROPHICUM; DEHALOSPIRILLUM-MULTIVORANS; GENOME SEQUENCE; SPOROMUSA-OVATA; FACTOR-III; SP STRAIN AB Cobalamin and other corrinoids are essential cofactors for many organisms. The majority of microbes with corrinoid-dependent enzymes do not produce corrinoids de novo, and instead must acquire corrinoids produced by other organisms in their environment. However, the profile of corrinoids produced in corrinoid-dependent microbial communities, as well as the exchange and modification of corrinoids among community members have not been well studied. In this study, we applied a newly developed liquid chromatography tandem mass spectrometry-based corrinoid detection method to examine relationships among corrinoids, their lower ligand bases and specific microbial groups in microbial communities containing Dehalococcoides mccartyi that has an obligate requirement for benzimidazole-containing corrinoids for trichloroethene respiration. We found that p-cresolylcobamide ([p-Cre]Cba) and cobalamin were the most abundant corrinoids in the communities. It suggests that members of the family Veillonellaceae are associated with the production of [p-Cre]Cba. The decrease of supernatant-associated [p-Cre]Cba and the increase of biomass-associated cobalamin were correlated with the growth of D. mccartyi by dechlorination. This supports the hypothesis that D. mccartyi is capable of fulfilling its corrinoid requirements in a community through corrinoid remodelling, in this case, by importing extracellular [p-Cre]Cba and 5,6-dimethylbenzimidazole (DMB) (the lower ligand of cobalamin), to produce cobalamin as a cofactor for dechlorination. This study also highlights the role of DMB, the lower ligand produced in all of the studied communities, in corrinoid remodelling. These findings provide novel insights on roles played by different phylogenetic groups in corrinoid production and corrinoid exchange within microbial communities. This study may also have implications for optimizing chlorinated solvent bioremediation. C1 [Men, Yujie; Yi, Shan; Alvarez-Cohen, Lisa] Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. [Seth, Erica C.; Crofts, Terence S.; Taga, Michiko E.] Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA. [Allen, Robert H.] Univ Colorado, Dept Med, Div Hematol, Aurora, CO 80045 USA. [Alvarez-Cohen, Lisa] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Alvarez-Cohen, L (reprint author), Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. EM alvarez@ce.berkeley.edu FU Strategic Environmental Research and Development Program (SERDP) [ER-1587]; NIEHS [P42ES004705]; NSF [CBET1336709, MCB1122046] FX This research was supported by the Strategic Environmental Research and Development Program (SERDP) through grant ER-1587, NIEHS Superfund P42ES004705 and NSF CBET1336709 to L.A.C. and NSF grant MCB1122046 to M.E.T. NR 56 TC 9 Z9 9 U1 9 U2 19 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1462-2912 EI 1462-2920 J9 ENVIRON MICROBIOL JI Environ. Microbiol. PD DEC PY 2015 VL 17 IS 12 BP 4873 EP 4884 DI 10.1111/1462-2920.12500 PG 12 WC Microbiology SC Microbiology GA DB4BN UT WOS:000368457800006 PM 24803319 ER PT J AU Hudson, CM Kirton, E Hutchinson, MI Redfern, JL Simmons, B Ackerman, E Singh, S Williams, KP Natvig, DO Powell, AJ AF Hudson, Corey M. Kirton, Edward Hutchinson, Miriam I. Redfern, Joanna L. Simmons, Blake Ackerman, Eric Singh, Seema Williams, Kelly P. Natvig, Donald O. Powell, Amy J. TI Lignin-modifying processes in the rhizosphere of arid land grasses SO ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID BIOFUEL PRODUCTION; SEMIARID GRASSLAND; GENOME; SEQUENCE; SOIL; DIVERSITY; LACCASE; DEPOLYMERIZATION; PEROXIDASES; FOREST AB Genes associated with elevated oxidative enzyme activities in arid systems have not been well characterized. To link measured oxidative activities with specific enzymes, we assembled protein-coding reads from the rhizospheres (RHZ) of two arid land grasses. Targeted gene scans for open reading frames, encoding genes potentially involved in lignin modification, resulted in 127 distinct assembly products. The putative genes included those significantly similar to Class II secretory fungal peroxidases. These genes are expressed at sufficiently high levels for assembly, annotation and differentiation across experimental conditions, and they demonstrate the interplay of root systems, environment and plant microbiomes. The genes assembled also included copper-dependent lytic polysaccharide monooxygenases. We detail the enzymes in the host grass RHZs and present a preliminary taxonomic microhabitat characterization. Our findings provide support for biologically mediated Fenton chemistry in the root zones of desert grasses, and provide insight into arid land carbon flow. These results also demonstrate a hyperdiverse microbial community. Both ribosomal RNA and messenger RNA sequences were dominated by bacteria, followed by fungal sequence abundance. Among the notable fungal sequences were those from the members of the arbuscular mycorrhizal fungi (Glomeromycota), which though abundant in this study, we rarely observed in previous PCR-based surveys. C1 [Ackerman, Eric; Powell, Amy J.] Sandia Natl Labs, Computat Simulat, POB 5800, Albuquerque, NM 87185 USA. [Hudson, Corey M.; Simmons, Blake; Singh, Seema; Williams, Kelly P.] Sandia Natl Labs, Livermore, CA USA. [Kirton, Edward] DOE Joint Genome Inst, Walnut Creek, CA USA. [Hutchinson, Miriam I.; Redfern, Joanna L.; Natvig, Donald O.] Univ New Mexico, Dept Biol, Albuquerque, NM 87131 USA. [Simmons, Blake; Singh, Seema] Joint BioEnergy Inst, Emeryville, CA USA. RP Powell, AJ (reprint author), Sandia Natl Labs, Computat Simulat, POB 5800, Albuquerque, NM 87185 USA. EM ajpowel@sandia.gov OI Hutchinson, Miriam/0000-0003-4077-0184 FU Community Sequencing Program award from the Department of Energy's Joint Genome Institute; National Science Foundation award; Sandia National Laboratories' (SNL) Laboratory Directed Research and Development project 'Understanding and Regulation of Microbial Lignolysis for Renewable Platform Chemicals'; SNL; Office of Science, Office of Biological and Environmental Research, of the U.S. Department of Energy [DE-AC02-05CH11231]; United States Department of Energy [DE-ACO4-94AL85000] FX We would like to thank Tijana Glavina del Rio and Susannah Tringe from the Joint Genome Institute for archiving and recovering accessions. We acknowledge support in the form of a Community Sequencing Program award from the Department of Energy's Joint Genome Institute (A.J. Powell, PI) and from a National Science Foundation award to the University of New Mexico for the Sevilleta Long-Term Ecological Research programme. Additional support came from Sandia National Laboratories' (SNL) Laboratory Directed Research and Development project 'Understanding and Regulation of Microbial Lignolysis for Renewable Platform Chemicals' (S. Singh, PI) and a sub-award from SNL to D. Natvig. S. Singh would like to acknowledge her JBEI funding from Office of Science, Office of Biological and Environmental Research, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. Sandia is a multi-programme laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under Contract DE-ACO4-94AL85000. Special thanks to Scott Collins and William Pockman, University of New Mexico Department of Biology and to the US Fish and Wildlife Service at the Sevilleta National Wildlife Refuge for generously providing access to field sites. NR 56 TC 1 Z9 1 U1 2 U2 22 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1462-2912 EI 1462-2920 J9 ENVIRON MICROBIOL JI Environ. Microbiol. PD DEC PY 2015 VL 17 IS 12 BP 4965 EP 4978 DI 10.1111/1462-2920.13020 PG 14 WC Microbiology SC Microbiology GA DB4BN UT WOS:000368457800013 PM 26279186 ER PT J AU Wang, XB Van Nostrand, JD Deng, Y Lu, XT Wang, C Zhou, JZ Han, XG AF Wang, Xiaobo Van Nostrand, Joy D. Deng, Ye Lu, Xiaotao Wang, Chao Zhou, Jizhong Han, Xingguo TI Scale-dependent effects of climate and geographic distance on bacterial diversity patterns across northern China's grasslands SO FEMS MICROBIOLOGY ECOLOGY LA English DT Article DE microbial biogeography; dispersal limitation; spatial patterns; metagenomic sequencing; soil microbial ecology; aridity; Inner Mongolia ID MICROBIAL COMMUNITY COMPOSITION; GLOBAL PATTERNS; PHYLOGENETIC DIVERSITY; SEMIARID GRASSLANDS; FUNGAL COMMUNITIES; SPECIES RICHNESS; SOIL BACTERIA; BIOGEOGRAPHY; PLANT; BIODIVERSITY AB Patterns of variation in plant and animal diversity along precipitation gradients have been extensively studied, but much less is known about how and to what extent precipitation affects the biogeographic distribution of microbial diversity in arid areas across large spatial scales. Here we collected soils from 54 sites along a 3700 km transect covering a wide range of grassland ecosystems with distinct aridity gradients. We quantified the bacterial community diversity and the effects of climate, edaphic parameter and geographic distance on the bacterial community structure using high-throughput 16S rRNA gene sequencing. Of the 35 phyla detected, 6 were dominant: Actinobacteria, Acidobacteria, Alphaproteobacteria, Deltaproteobacteria, Bacteroidetes and Planctomycetes. Aridity was a major factor influencing bacterial diversity, community composition and taxon abundance. Although the pattern of bacterial species richness is markedly different from that of plant species richness, most soil bacteria were endemic to particular bioregions like macro-organisms. Community similarity significantly declined with environmental distance and geographic distance (r = -0.579 and -0.773, respectively). Geographic distance (historical contingencies) contributed more to bacterial community variation (36.02%) than combined environmental factors (24.06%). Overall, our results showed that geographic distance and climatic factors concurrently govern bacterial biogeographic patterns in arid and semi-arid grassland. C1 [Wang, Xiaobo; Lu, Xiaotao; Wang, Chao; Han, Xingguo] Chinese Acad Sci, Inst Appl Ecol, State Key Lab Forest & Soil Ecol, Shenyang 110164, Peoples R China. [Wang, Xiaobo] Univ Chinese Acad Sci, Beijing 100049, Peoples R China. [Wang, Xiaobo; Van Nostrand, Joy D.; Zhou, Jizhong] Univ Oklahoma, Inst Environm Gen, Dept Microbiol & Plant Biol, Norman, OK 73019 USA. [Deng, Ye] Chinese Acad Sci, Res Ctr Ecoenvironm Sci, Beijing 100085, Peoples R China. [Zhou, Jizhong] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Earth Sci Div, Berkeley, CA 94720 USA. [Zhou, Jizhong] Tsinghua Univ, Sch Environm, State Key Joint Lab Environm Simulat & Pollut Con, Beijing 100084, Peoples R China. RP Han, XG (reprint author), Chinese Acad Sci, Inst Appl Ecol, State Key Lab Forest & Soil Ecol, Shenyang 110164, Peoples R China. EM xghan@ibcas.ac.cn RI Lu (u), Xiao-Tao/B-3905-2008; Van Nostrand, Joy/F-1740-2016; Han, Xingguo/K-7552-2016; OI Lu (u), Xiao-Tao/0000-0001-5571-1895; Van Nostrand, Joy/0000-0001-9548-6450; Han, Xingguo/0000-0002-1836-975X; ?, ?/0000-0002-7584-0632 FU Strategic Priority Research Program of the Chinese Academy of Sciences [XDB15010401]; State Key Laboratory of Forest and Soil Ecology [LFSE2015-19]; Office of the Vice President for Research at the University of Oklahoma; Collaborative Innovation Center for Regional Environmental Quality; Youth Innovation Promotion Association CAS [2014174] FX We thank all the members of the Shenyang Sampling Campaign Team from the Institute of Applied Ecology, Chinese Academy of Sciences for their assistance during field sampling. We also thank Daliang Ning and Chongqing Wen for their assistance in laboratory work and Xiangzhen Li and Shuijin Hu for comments on the earlier version. This work was financially supported by the Strategic Priority Research Program of the Chinese Academy of Sciences (XDB15010401), the State Key Laboratory of Forest and Soil Ecology (LFSE2015-19), the Office of the Vice President for Research at the University of Oklahoma, the Collaborative Innovation Center for Regional Environmental Quality, and the Youth Innovation Promotion Association CAS (2014174). NR 76 TC 1 Z9 2 U1 24 U2 69 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0168-6496 EI 1574-6941 J9 FEMS MICROBIOL ECOL JI FEMS Microbiol. Ecol. PD DEC PY 2015 VL 91 IS 12 AR fiv133 DI 10.1093/femsec/fiv133 PG 10 WC Microbiology SC Microbiology GA DB3SA UT WOS:000368430600006 ER PT J AU Blom, PS Marcillo, O Arrowsmith, SJ AF Blom, Philip S. Marcillo, Omar Arrowsmith, Stephen J. TI Improved Bayesian Infrasonic Source Localization for regional infrasound SO GEOPHYSICAL JOURNAL INTERNATIONAL LA English DT Article DE Probability distributions; Acoustic-gravity waves; Seismic monitoring and test-ban treaty verification; Wave propagation ID STRATOSPHERIC WARMINGS; LOCATION; PROPAGATION; EXPLOSION; CELERITY; ARRAYS AB The mathematical framework used in the Bayesian Infrasonic Source Localization (BISL) methodology is examined and simplified providing a generalized method of estimating the source location and time for an infrasonic event. The likelihood function describing an infrasonic detection used in BISL has been redefined to include the von Mises distribution developed in directional statistics and propagation-based, physically derived celerity-range and azimuth deviation models. Frameworks for constructing propagation-based celerity-range and azimuth deviation statistics are presented to demonstrate how stochastic propagation modelling methods can be used to improve the precision and accuracy of the posterior probability density function describing the source localization. Infrasonic signals recorded at a number of arrays in the western United States produced by rocket motor detonations at the Utah Test and Training Range are used to demonstrate the application of the new mathematical framework and to quantify the improvement obtained by using the stochastic propagation modelling methods. Using propagation-based priors, the spatial and temporal confidence bounds of the source decreased by more than 40 per cent in all cases and by as much as 80 per cent in one case. Further, the accuracy of the estimates remained high, keeping the ground truth within the 99 per cent confidence bounds for all cases. C1 [Blom, Philip S.; Marcillo, Omar] Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA. [Arrowsmith, Stephen J.] Sandia Natl Labs, Albuquerque, NM 87123 USA. RP Blom, PS (reprint author), Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA. EM pblom@lanl.gov FU National Nuclear Security Administration Office of Nonproliferation and Treaty Verification Research and Development; U.S. Department of Energy FX The authors acknowledge the support of Leslie Casey and the National Nuclear Security Administration Office of Nonproliferation and Treaty Verification Research and Development for funding this work. Los Alamos National Laboratory completed this work under the auspices of the U.S. Department of Energy. NR 32 TC 3 Z9 3 U1 1 U2 4 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0956-540X EI 1365-246X J9 GEOPHYS J INT JI Geophys. J. Int. PD DEC PY 2015 VL 203 IS 3 BP 1682 EP 1693 DI 10.1093/gji/ggv387 PG 12 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA DB3QQ UT WOS:000368426800013 ER PT J AU Lin, YZ Huang, LJ AF Lin, Youzuo Huang, Lianjie TI Quantifying subsurface geophysical properties changes using double-difference seismic-waveform inversion with a modified total-variation regularization scheme SO GEOPHYSICAL JOURNAL INTERNATIONAL LA English DT Article DE Numerical solutions; Inverse theory; Numerical approximations and analysis; Non-linear differential equations; Body waves; Seismic tomography ID IMAGE-RESTORATION; NOISE REMOVAL; TIME; RECONSTRUCTION; ALGORITHMS AB Quantifying time-lapse changes of subsurface geophysical properties is crucial for many applications, such as monitoring for oil/gas production, for geologic carbon storage, and for enhanced geothermal systems, etc. We develop a new double-difference acoustic-waveform inversion method and a new double-difference elastic-waveform inversion method using a modified total-variation regularization scheme for accurate estimation of subsurface geophysical properties changes. The method jointly inverts time-lapse seismic data for changes of geophysical properties in target monitoring regions. Our new waveform inversion algorithms incorporate a modified total-variation regularization scheme consisting of two regularization terms: an L-2 norm term and an L-1 norm total-variation term. We employ an alternating minimization method to decouple our new waveform inversion with the modified total-variation regularization into two minimization subproblems to improve the robustness of waveform inversion. We use seismic-waveform inversion with a modified total-variation regularization scheme to produce an accurate baseline geophysical model using the baseline seismic data and apply our new double-difference seismic-waveform inversion to time-lapse seismic data to quantify time-lapse changes of geophysical properties. Our new double-difference waveform inversion algorithm not only preserves sharp interfaces of the target monitoring regions but also reduces inversion artefacts outside the target monitoring regions. We use synthetic time-lapse seismic data to validate the improvement of our new methods. Our numerical results show that our new double-difference acoustic-and elastic-waveform inversion methods significantly improve the accuracy of time-lapse seismic data inversion compared to other inversion methods. C1 [Lin, Youzuo; Huang, Lianjie] Los Alamos Natl Lab, Geophys Grp, MS D452, Los Alamos, NM 87545 USA. RP Lin, YZ (reprint author), Los Alamos Natl Lab, Geophys Grp, MS D452, Los Alamos, NM 87545 USA. EM ylin@lanl.gov FU United States Department of Energy [DE-AC52-06NA25396] FX This work was supported by the United States Department of Energy through contract DE-AC52-06NA25396 to Los Alamos National Laboratory (LANL). The computation was performed on supercomputers provided by LANL's Institutional Computing Program. We thank John Queen of Hi-Q Geophysical Inc. for providing us with a velocity model of Brady's geothermal site. We thank Dr. Yike Liu and an anonymous reviewer for their valuable comments. NR 45 TC 2 Z9 2 U1 1 U2 4 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0956-540X EI 1365-246X J9 GEOPHYS J INT JI Geophys. J. Int. PD DEC PY 2015 VL 203 IS 3 BP 2125 EP 2149 DI 10.1093/gji/ggv429 PG 25 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA DB3QQ UT WOS:000368426800043 ER PT J AU Liu, MZ Nam, CY Zhang, LH AF Liu, Mingzhao Nam, Chang-Yong Zhang, Lihua TI Seedless Growth of Bismuth Nanowire Array via Vacuum Thermal Evaporation SO JOVE-JOURNAL OF VISUALIZED EXPERIMENTS LA English DT Article DE Engineering; Issue 106; Bismuth nanowire; single crystallinity; vanadium; thermal evaporation ID BI NANOWIRES; SURFACE; FILM; CONFINEMENT; NANOTUBES AB Here a seedless and template-free technique is demonstrated to scalably grow bismuth nanowires, through thermal evaporation in high vacuum at RT. Conventionally reserved for the fabrication of metal thin films, thermal evaporation deposits bismuth into an array of vertical single crystalline nanowires over a flat thin film of vanadium held at RT, which is freshly deposited by magnetron sputtering or thermal evaporation. By controlling the temperature of the growth substrate the length and width of the nanowires can be tuned over a wide range. Responsible for this novel technique is a previously unknown nanowire growth mechanism that roots in the mild porosity of the vanadium thin film. Infiltrated into the vanadium pores, the bismuth domains (similar to 1 nm) carry excessive surface energy that suppresses their melting point and continuously expels them out of the vanadium matrix to form nanowires. This discovery demonstrates the feasibility of scalable vapor phase synthesis of high purity nanomaterials without using any catalysts. C1 [Liu, Mingzhao; Nam, Chang-Yong; Zhang, Lihua] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Liu, MZ (reprint author), Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. EM mzliu@bnl.gov RI Liu, Mingzhao/A-9764-2011; Nam, Chang-Yong/D-4193-2009 OI Liu, Mingzhao/0000-0002-0999-5214; Nam, Chang-Yong/0000-0002-9093-4063 FU U.S. Department of Energy, Office of Basic Energy Sciences [DE-SC0012704] FX 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-SC0012704. NR 21 TC 0 Z9 0 U1 1 U2 5 PU JOURNAL OF VISUALIZED EXPERIMENTS PI CAMBRIDGE PA 1 ALEWIFE CENTER, STE 200, CAMBRIDGE, MA 02140 USA SN 1940-087X J9 JOVE-J VIS EXP JI J. Vis. Exp. PD DEC PY 2015 IS 106 AR e53396 DI 10.3791/53396 PG 7 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DB5SR UT WOS:000368574400046 PM 26709727 ER PT J AU Reardon-Robinson, ME Osipiuk, J Jooya, N Chang, CY Joachimiak, A Das, A Ton-That, H AF Reardon-Robinson, Melissa E. Osipiuk, Jerzy Jooya, Neda Chang, Chungyu Joachimiak, Andrzej Das, Asis Ton-That, Hung TI A thiol-disulfide oxidoreductase of the Gram-positive pathogen Corynebacterium diphtheriae is essential for viability, pilus assembly, toxin production and virulence SO MOLECULAR MICROBIOLOGY LA English DT Article ID FORMATION IN-VIVO; STAPHYLOCOCCUS-AUREUS DSBA; BOND FORMATION; MYCOBACTERIUM-TUBERCULOSIS; CRYSTAL-STRUCTURE; PROTEIN; GLUTAMICUM; MEMBRANE; PATHWAY; SURFACE AB The Gram-positive pathogen Corynebacterium diphtheriae exports through the Sec apparatus many extracellular proteins that include the key virulence factors diphtheria toxin and the adhesive pili. How these proteins attain their native conformations after translocation as unfolded precursors remains elusive. The fact that the majority of these exported proteins contain multiple cysteine residues and that several membrane-bound oxidoreductases are encoded in the corynebacterial genome suggests the existence of an oxidative protein-folding pathway in this organism. Here we show that the shaft pilin SpaA harbors a disulfide bond in vivo and alanine substitution of these cysteines abrogates SpaA polymerization and leads to the secretion of degraded SpaA peptides. We then identified a thiol-disulfide oxidoreductase (MdbA), whose structure exhibits a conserved thioredoxin-like domain with a CPHC active site. Remarkably, deletion of mdbA results in a severe temperature-sensitive cell division phenotype. This mutant also fails to assemble pilus structures and is greatly defective in toxin production. Consistent with these defects, the Delta mdbA mutant is attenuated in a guinea pig model of diphtheritic toxemia. Given its diverse cellular functions in cell division, pilus assembly and toxin production, we propose that MdbA is a component of the general oxidative folding machine in C. diphtheriae. C1 [Reardon-Robinson, Melissa E.; Jooya, Neda; Chang, Chungyu; Ton-That, Hung] Univ Texas Hlth Sci Ctr Houston, Dept Microbiol & Mol Genet, Houston, TX 77030 USA. [Osipiuk, Jerzy; Joachimiak, Andrzej] Argonne Natl Lab, Dept Biosci, Midwest Ctr Struct Genom, Argonne, IL 60439 USA. [Osipiuk, Jerzy; Joachimiak, Andrzej] Argonne Natl Lab, Dept Biosci, Struct Biol Ctr, Argonne, IL 60439 USA. [Das, Asis] Univ Connecticut, Ctr Hlth, Dept Mol Biol & Biophys, Farmington, CT USA. RP Ton-That, H (reprint author), Univ Texas Hlth Sci Ctr Houston, Dept Microbiol & Mol Genet, Houston, TX 77030 USA. EM ton-that.hung@uth.tmc.edu OI Ton-That, Hung/0000-0003-1611-0469 FU Predoctoral Training Program in Molecular Basis of Infectious Diseases, National Institute of Allergy and Infectious Diseases (NIH) [T32 AI55449]; National Institute of General Medical Sciences [GM094585]; National Institute of Dental and Craniofacial Research [F31DE024004, DE025015]; U.S. Department of Energy, Office of Biological and Environmental Research [DE-AC02-06CH11357] FX We thank Timothy Fothergill and Shilpa Muralidhar for technical assistance, members of the Structural Biology Center at Argonne National Laboratory for their help in conducting X-ray diffraction data collection, and our laboratory members for the critical review and discussion of the manuscript. M.E.R.-R. was previously supported by the Predoctoral Training Program in Molecular Basis of Infectious Diseases, National Institute of Allergy and Infectious Diseases (NIH Grant T32 AI55449). This work was supported by the National Institute of General Medical Sciences grant GM094585 (to J.O. and A.J.) and the National Institute of Dental and Craniofacial Research under award numbers F31DE024004 (to M.E.R.-R.) and DE025015 (to H.T.-T.). Argonne is operated by UChicago Argonne, LLC, for the U.S. Department of Energy, Office of Biological and Environmental Research under contract DE-AC02-06CH11357. NR 58 TC 4 Z9 4 U1 1 U2 5 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0950-382X EI 1365-2958 J9 MOL MICROBIOL JI Mol. Microbiol. PD DEC PY 2015 VL 98 IS 6 BP 1037 EP 1050 DI 10.1111/mmi.13172 PG 14 WC Biochemistry & Molecular Biology; Microbiology SC Biochemistry & Molecular Biology; Microbiology GA DB3VB UT WOS:000368439800005 PM 26294390 ER PT J AU Jeitner, TM Battaile, K Cooper, AJL AF Jeitner, Thomas M. Battaile, Kevin Cooper, Arthur J. L. TI Critical Evaluation of the Changes in Glutamine Synthetase Activity in Models of Cerebral Stroke SO NEUROCHEMICAL RESEARCH LA English DT Article DE Brain; Glutamine synthetase; Ischemia-reperfusion; Oxidative stress; Stroke ID PROTEIN-TYROSINE NITRATION; RECEPTOR-MEDIATED RESPONSES; MILD COGNITIVE IMPAIRMENT; MIXED-FUNCTION OXIDATION; D-ASPARTIC ACID; NITRIC-OXIDE; RAT-BRAIN; IN-VIVO; ALZHEIMERS-DISEASE; MOUSE MODEL AB The following article addresses some seemingly paradoxical observations concerning cerebral glutamine synthetase in ischemia-reperfusion injury. In the brain, this enzyme is predominantly found in astrocytes and catalyzes part of the glutamine-glutamate cycle. Glutamine synthetase is also thought to be especially sensitive to inactivation by the oxygen-and nitrogen-centered radicals generated during strokes. Despite this apparent sensitivity, glutamine synthetase specific activity is elevated in the affected tissues during reperfusion. Given the central role of the glutamine-glutamate cycle in the brain, we sought to resolve these conflicting observations with the view of providing an alternative perspective for therapeutic intervention in stroke. C1 [Jeitner, Thomas M.; Cooper, Arthur J. L.] New York Med Coll, Dept Biochem & Mol Biol, Valhalla, NY 10595 USA. [Battaile, Kevin] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. RP Jeitner, TM (reprint author), New York Med Coll, Dept Biochem & Mol Biol, Valhalla, NY 10595 USA. EM tomjeitner@yahoo.com RI Cooper, Arthur/H-5171-2016; OI Battaile, Kevin/0000-0003-0833-3259 FU NIH [DK 16739]; Theresa Patnode Santmann Foundation FX Part of the work described in this review was supported by NIH grant DK 16739 (AJLC) and the Theresa Patnode Santmann Foundation (TMJ). NR 105 TC 4 Z9 5 U1 3 U2 5 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0364-3190 EI 1573-6903 J9 NEUROCHEM RES JI Neurochem. Res. PD DEC PY 2015 VL 40 IS 12 SI SI BP 2544 EP 2556 DI 10.1007/s11064-015-1667-1 PG 13 WC Biochemistry & Molecular Biology; Neurosciences SC Biochemistry & Molecular Biology; Neurosciences & Neurology GA DB3KZ UT WOS:000368411500016 PM 26233464 ER PT J AU Golonzhka, O Nord, A Tang, PLF Lindtner, S Ypsilanti, AR Ferretti, E Visel, A Selleri, L Rubenstein, JLR AF Golonzhka, Olga Nord, Alex Tang, Paul L. F. Lindtner, Susan Ypsilanti, Athena R. Ferretti, Elisabetta Visel, Axel Selleri, Licia Rubenstein, John L. R. TI Pbx Regulates Patterning of the Cerebral Cortex in Progenitors and Postmitotic Neurons SO NEURON LA English DT Article ID MAMMALIAN TELENCEPHALON; HOMEODOMAIN PROTEINS; CORTICAL PROGENITORS; DEVELOPING NEOCORTEX; AREA IDENTITY; GENE; HOX; EXPRESSION; MICE; DIFFERENTIATION AB We demonstrate using conditional mutagenesis that Pbx1, with and without Pbx2(+/-) sensitization, regulates regional identity and laminar patterning of the developing mouse neocortex in cortical progenitors (Emx1-Cre) and in newly generated neurons (Nex1-Cre). Pbx1/2 mutants have three salient molecular phenotypes of cortical regional and laminar organization: hypoplasia of the frontal cortex, ventral expansion of the dorsomedial cortex, and ventral expansion of Reelin expression in the cortical plate of the frontal cortex, concomitant with an inversion of cortical layering in the rostral cortex. Molecular analyses, including PBX ChIP-seq, provide evidence that PBX promotes frontal cortex identity by repressing genes that promote dorsocaudal fate. C1 [Golonzhka, Olga; Lindtner, Susan; Ypsilanti, Athena R.; Rubenstein, John L. R.] Univ Calif San Francisco, Dept Psychiat, Neurosci Program, San Francisco, CA 94158 USA. [Golonzhka, Olga; Lindtner, Susan; Ypsilanti, Athena R.; Rubenstein, John L. R.] Univ Calif San Francisco, Nina Ireland Lab Dev Neurobiol, San Francisco, CA 94158 USA. [Golonzhka, Olga] Acetylon Pharmaceut, Boston, MA 02210 USA. [Nord, Alex] Univ Calif Davis, Ctr Neurosci, Dept Neurobiol, Davis, CA 95618 USA. [Nord, Alex] Univ Calif Davis, Ctr Neurosci, Dept Physiol, Davis, CA 95618 USA. [Nord, Alex] Univ Calif Davis, Ctr Neurosci, Dept Behav, Davis, CA 95618 USA. [Nord, Alex] Univ Calif Davis, Ctr Neurosci, Dept Psychiat & Behav Sci, Davis, CA 95618 USA. [Tang, Paul L. F.] Univ Calif San Francisco, Inst Human Genet, San Francisco, CA 94143 USA. [Visel, Axel] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Genom Div, Berkeley, CA 94720 USA. [Visel, Axel] US Dept Energy Joint Genome Inst, Walnut Creek, CA 94598 USA. [Visel, Axel] Univ Calif Merced, Sch Nat Sci, Merced, CA 95343 USA. [Ferretti, Elisabetta; Selleri, Licia] Cornell Univ, Weill Med Coll, Dept Cell & Dev Biol, New York, NY 10021 USA. [Ferretti, Elisabetta] Univ Copenhagen, Danish Stem Cell Ctr, DK-2200 Copenhagen, Denmark. RP Golonzhka, O (reprint author), Univ Calif San Francisco, Dept Psychiat, Neurosci Program, San Francisco, CA 94158 USA.; Golonzhka, O (reprint author), Univ Calif San Francisco, Nina Ireland Lab Dev Neurobiol, San Francisco, CA 94158 USA. EM ogolonzhka@acetylon.com; john.rubenstein@ucsf.edu RI Visel, Axel/A-9398-2009 OI Visel, Axel/0000-0002-4130-7784 FU NARSAD; Nina Ireland; Weston Havens Foundation; NINDS [NS34661]; NIMH [MH049428, MH081880]; NIH [R01HG003988, U54HG006997]; Department of Energy [DE-AC02-05CH11231] FX This work was supported by funds from NARSAD to O.G., and Nina Ireland, Weston Havens Foundation, NINDS (NS34661), and NIMH (MH049428 and MH081880) to J.L.R.R. A.V. was supported by NIH grants R01HG003988 and U54HG006997. Research conducted at the E.O. Lawrence Berkeley National Laboratory was performed under Department of Energy Contract DE-AC02-05CH11231, University of California. J.L.R.R. is a founder and consultant for Neurona; this company has no financial interests related to this paper. NR 92 TC 3 Z9 4 U1 0 U2 2 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0896-6273 EI 1097-4199 J9 NEURON JI Neuron PD DEC PY 2015 VL 88 IS 6 BP 1192 EP 1207 DI 10.1016/j.neuron.2015.10.045 PG 16 WC Neurosciences SC Neurosciences & Neurology GA DB3WM UT WOS:000368443900015 PM 26671461 ER PT J AU Smith, RA Gonzales-Vigil, E Karlen, SD Park, JY Lu, FC Wilkerson, CG Samuels, L Ralph, J Mansfield, SD AF Smith, Rebecca A. Gonzales-Vigil, Eliana Karlen, Steven D. Park, Ji-Young Lu, Fachuang Wilkerson, Curtis G. Samuels, Lacey Ralph, John Mansfield, Shawn D. TI Engineering Monolignol p-Coumarate Conjugates into Poplar and Arabidopsis Lignins SO PLANT PHYSIOLOGY LA English DT Article ID TETRAMETHYLAMMONIUM HYDROXIDE TMAH; STATE 2D NMR; DFRC METHOD; STRUCTURAL-CHARACTERIZATION; SINAPYL ALCOHOL; HERBACEOUS PLANTS; ETHER CLEAVAGE; MAIZE LIGNIN; CELL-WALLS; LIGNIFICATION AB Lignin acylation, the decoration of hydroxyls on lignin structural units with acyl groups, is common in many plant species. Monocot lignins are decorated with p-coumarates by the polymerization of monolignol p-coumarate conjugates. The acyltransferase involved in the formation of these conjugates has been identified in a number of model monocot species, but the effect of monolignol p-coumarate conjugates on lignification and plant growth and development has not yet been examined in plants that do not inherently possess p-coumarates on their lignins. The rice (Oryza sativa) p-COUMAROYL-Coenzyme A MONOLIGNOL TRANSFERASE gene was introduced into two eudicots, Arabidopsis (Arabidopsis thaliana) and poplar (Populus alba 3 grandidentata), and a series of analytical methods was used to show the incorporation of the ensuing monolignol p-coumarate conjugates into the lignin of these plants. In poplar, specifically, the addition of these conjugates did not occur at the expense of the naturally incorporated monolignol p-hydroxybenzoates. Plants expressing the p-COUMAROYL-Coenzyme A MONOLIGNOL TRANSFERASE transgene can therefore produce monolignol p-coumarate conjugates essentially without competing with the formation of other acylated monolignols and without drastically impacting normal monolignol production. C1 [Smith, Rebecca A.; Gonzales-Vigil, Eliana; Karlen, Steven D.; Lu, Fachuang; Wilkerson, Curtis G.; Ralph, John; Mansfield, Shawn D.] Michigan State Univ, Dept Energys, Great Lakes Bioenergy Res Ctr, E Lansing, MI 48824 USA. [Wilkerson, Curtis G.] Michigan State Univ, Dept Plant Biol, E Lansing, MI 48824 USA. [Wilkerson, Curtis G.] Michigan State Univ, Dept Biochem, E Lansing, MI 48824 USA. [Wilkerson, Curtis G.] Michigan State Univ, Dept Mol Biol, E Lansing, MI 48824 USA. [Smith, Rebecca A.; Karlen, Steven D.; Lu, Fachuang; Ralph, John] Univ Wisconsin, Wisconsin Energy Inst, Madison, WI 53726 USA. [Smith, Rebecca A.; Lu, Fachuang; Ralph, John] Univ Wisconsin, Dept Biochem, Madison, WI 53706 USA. [Gonzales-Vigil, Eliana; Park, Ji-Young; Mansfield, Shawn D.] Univ British Columbia, Dept Wood Sci, Vancouver, BC V6T 1Z4, Canada. [Samuels, Lacey] Univ British Columbia, Dept Bot, Vancouver, BC V6T 1Z4, Canada. RP Mansfield, SD (reprint author), Michigan State Univ, Dept Energys, Great Lakes Bioenergy Res Ctr, E Lansing, MI 48824 USA. EM shawn.mansfield@ubc.ca FU Department of Energy's Great Lakes Bioenergy Research Center, Department of Energy, Biological and Environmental Research, Office of Science [DE-FC02-07ER64494] FX This work was supported by the Department of Energy's Great Lakes Bioenergy Research Center, Department of Energy, Biological and Environmental Research, Office of Science (grant no. DE-FC02-07ER64494). NR 64 TC 5 Z9 5 U1 14 U2 21 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 DEC PY 2015 VL 169 IS 4 BP 2992 EP 3001 DI 10.1104/pp.15.00815 PG 10 WC Plant Sciences SC Plant Sciences GA DB4GY UT WOS:000368472700047 PM 26511914 ER PT J AU Quinn, JY Cox, RS Adler, A Beal, J Bhatia, S Cai, YZ Chen, J Clancy, K Galdzicki, M Hillson, NJ Le Novere, N Maheshwari, AJ McLaughlin, JA Myers, CJ Umesh, P Pocock, M Rodriguez, C Soldatova, L Stan, GBV Swainston, N Wipat, A Sauro, HM AF Quinn, Jacqueline Y. Cox, Robert Sidney, III Adler, Aaron Beal, Jacob Bhatia, Swapnil Cai, Yizhi Chen, Joanna Clancy, Kevin Galdzicki, Michal Hillson, Nathan J. Le Novere, Nicolas Maheshwari, Akshay J. McLaughlin, James Alastair Myers, Chris J. Umesh, P. Pocock, Matthew Rodriguez, Cesar Soldatova, Larisa Stan, Guy-Bart V. Swainston, Neil Wipat, Anil Sauro, Herbert M. TI SBOL Visual: A Graphical Language for Genetic Designs SO PLOS BIOLOGY LA English DT Editorial Material ID ESCHERICHIA-COLI; SYNTHETIC BIOLOGY; SOFTWARE PLATFORM; SYSTEMS; STANDARD; PATHWAY; YEAST; DNA AB Synthetic Biology Open Language (SBOL) Visual is a graphical standard for genetic engineering. It consists of symbols representing DNA subsequences, including regulatory elements and DNA assembly features. These symbols can be used to draw illustrations for communication and instruction, and as image assets for computer-aided design. SBOL Visual is a community standard, freely available for personal, academic, and commercial use (Creative Commons CC0 license). We provide prototypical symbol images that have been used in scientific publications and software tools. We encourage users to use and modify them freely, and to join the SBOL Visual community: http://www.sbolstandard.org/visual. C1 [Quinn, Jacqueline Y.] Autodesk Inc, Autodesk Res, San Francisco, CA USA. [Cox, Robert Sidney, III] Kobe Univ, Chem Sci & Engn, Kobe, Hyogo 657, Japan. [Adler, Aaron; Beal, Jacob] Raytheon BBN Technol, Informat & Knowledge Technol, Cambridge, MA USA. [Bhatia, Swapnil] Boston Univ, Elect & Comp Engn, Boston, MA 02215 USA. [Cai, Yizhi] Univ Edinburgh, Sch Biol Sci, Edinburgh, Midlothian, Scotland. [Chen, Joanna; Hillson, Nathan J.] Joint BioEnergy Inst, Fuels Synth Div, Emeryville, CA USA. [Chen, Joanna; Hillson, Nathan J.] Joint BioEnergy Inst, Div Technol, Emeryville, CA USA. [Chen, Joanna; Hillson, Nathan J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Clancy, Kevin] ThermoFisher Sci, Synthet Biol Unit, Carlsbad, CA USA. [Galdzicki, Michal] Arzeda Corp, Seattle, WA USA. [Le Novere, Nicolas] Babraham Inst, Cambridge, England. [Maheshwari, Akshay J.] Stanford Univ, Sch Med, Stanford, CA 94305 USA. [McLaughlin, James Alastair; Pocock, Matthew; Wipat, Anil] Newcastle Univ, Sch Comp Sci, Newcastle Upon Tyne NE1 7RU, Tyne & Wear, England. [Myers, Chris J.] Univ Utah, Dept Elect & Comp Engn, Salt Lake City, UT USA. [Umesh, P.] Univ Kerala, Dept Computat Biol & Bioinformat, Thiruvananthapuram 695034, Kerala, India. [Pocock, Matthew] Turing Ate My Hamster LTD, Newcastle Upon Tyne, Tyne & Wear, England. [Rodriguez, Cesar] Florida State Univ, Coll Med, Dept Biomed Sci, Tallahassee, FL 32306 USA. [Soldatova, Larisa] Brunel Univ, Comp Sci, London, England. [Stan, Guy-Bart V.] Univ London Imperial Coll Sci Technol & Med, Ctr Synthet Biol & Innovat, Dept Bioengn, London, England. [Swainston, Neil] Univ Manchester, Ctr Synthet Biol Fine & Specialty Chem SYNBIOCHEM, Manchester, Lancs, England. [Sauro, Herbert M.] Univ Washington, Bioengn, Seattle, WA 98195 USA. RP Quinn, JY (reprint author), Autodesk Inc, Autodesk Res, San Francisco, CA USA. EM hsauro@uw.edu OI Soldatova, Larisa/0000-0001-6489-3029; Le Novere, Nicolas/0000-0002-6309-7327; Cai, Yizhi/0000-0003-1663-2865 FU Autodesk, Inc.; Stanford University; Brunel University; National Science Foundation Synthetic Biology Engineering Research Center; Office of Science, Office of Biological and Environmental Research, of the US Department of Energy [DE-AC02-05CH11231]; National Library of Medicine [R41 LM010745]; National Human Genome Research Institute [R42 HG006737]; NSF [0827592, 1158573]; UK Engineering and Physical Sciences Research Council (Flowers Consortium) [EP/J02175X/1]; UK Biotechnology and Biosciences Research Council (Centre for Synthetic Biology of Fine and Speciality Chemicals (SYNBIOCHEM)) [BB/M017702/1]; BBSRC [BB/M025640/1]; National Science Foundation [DBI-1356041, DBI-1355909]; [EF-0850100] FX The authors acknowledge funding from Autodesk, Inc., Stanford University, Brunel University, and the National Science Foundation Synthetic Biology Engineering Research Center and Grant EF-0850100. The portion of this work conducted by the Joint BioEnergy Institute was supported by the Office of Science, Office of Biological and Environmental Research, of the US Department of Energy (Contract No. DE-AC02-05CH11231, to NJH). The portion of the work conducted by the University of Washington was supported by the National Library of Medicine (R41 LM010745), the National Human Genome Research Institute (R42 HG006737) and NSF awards: Theoretical Biology 0827592, Molecular and Cellular Biosciences 1158573. The portions of this work conducted by Newcastle University and Imperial College London were supported by the UK Engineering and Physical Sciences Research Council (Flowers Consortium, Grant No. EP/J02175X/1, to GBVS). The work conducted by the University of Manchester was supported by the UK Biotechnology and Biosciences Research Council (Centre for Synthetic Biology of Fine and Speciality Chemicals (SYNBIOCHEM; BB/M017702/1). The work conducted by the University of Edinburgh was supported by a Chancellor's Fellowship and BBSRC grant (Building national hardware and software infrastructure for UK DNA Foundries; BB/M025640/1). Finally, SBOL is supported by the National Science Foundation under Grant Nos. DBI-1356041 to CJM, and DBI-1355909 to HMS. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the authors and do not necessarily reflect the views of the National Science Foundation or our other funding agencies. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. NR 36 TC 13 Z9 13 U1 2 U2 10 PU PUBLIC LIBRARY SCIENCE PI SAN FRANCISCO PA 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA SN 1545-7885 J9 PLOS BIOL JI PLoS. Biol. PD DEC PY 2015 VL 13 IS 12 AR e1002310 DI 10.1371/journal.pbio.1002310 PG 9 WC Biochemistry & Molecular Biology; Biology SC Biochemistry & Molecular Biology; Life Sciences & Biomedicine - Other Topics GA DB3WE UT WOS:000368443000003 PM 26633141 ER PT J AU Immonen, TT Conway, JM Romero-Severson, EO Perelson, AS Leitner, T AF Immonen, Taina T. Conway, Jessica M. Romero-Severson, Ethan O. Perelson, Alan S. Leitner, Thomas TI Recombination Enhances HIV-1 Envelope Diversity by Facilitating the Survival of Latent Genomic Fragments in the Plasma Virus Population SO PLOS COMPUTATIONAL BIOLOGY LA English DT Article ID CD4(+) T-CELLS; TYPE-1 INFECTION; EVOLUTIONARY RATES; WITHIN-HOST; VIRAL LOAD; IN-VIVO; RESERVOIR; PERSISTENCE; THERAPY; ESCAPE AB HIV-1 is subject to immune pressure exerted by the host, giving variants that escape the immune response an advantage. Virus released from activated latent cells competes against variants that have continually evolved and adapted to host immune pressure. Nevertheless, there is increasing evidence that virus displaying a signal of latency survives in patient plasma despite having reduced fitness due to long-term immune memory. We investigated the survival of virus with latent envelope genomic fragments by simulating within-host HIV-1 sequence evolution and the cycling of viral lineages in and out of the latent reservoir. Our model incorporates a detailed mutation process including nucleotide substitution, recombination, latent reservoir dynamics, diversifying selection pressure driven by the immune response, and purifying selection pressure asserted by deleterious mutations. We evaluated the ability of our model to capture sequence evolution in vivo by comparing our simulated sequences to HIV-1 envelope sequence data from 16 HIV-infected untreated patients. Empirical sequence divergence and diversity measures were qualitatively and quantitatively similar to those of our simulated HIV-1 populations, suggesting that our model invokes realistic trends of HIV-1 genetic evolution. Moreover, reconstructed phylogenies of simulated and patient HIV-1 populations showed similar topological structures. Our simulation results suggest that recombination is a key mechanism facilitating the persistence of virus with latent envelope genomic fragments in the productively infected cell population. Recombination increased the survival probability of latent virus forms approximately 13-fold. Prevalence of virus with latent fragments in productively infected cells was observed in only 2% of simulations when we ignored recombination, while the proportion increased to 27% of simulations when we allowed recombination. We also found that the selection pressures exerted by different fitness landscapes influenced the shape of phylogenies, diversity trends, and survival of virus with latent genomic fragments. Our model predicts that the persistence of latent genomic fragments from multiple different ancestral origins increases sequence diversity in plasma for reasonable fitness landscapes. C1 [Immonen, Taina T.; Romero-Severson, Ethan O.; Perelson, Alan S.; Leitner, Thomas] Los Alamos Natl Lab, Theoret Biol & Biophys, Los Alamos, NM USA. [Conway, Jessica M.] Penn State Univ, Dept Math, University Pk, PA 16802 USA. RP Immonen, TT (reprint author), Los Alamos Natl Lab, Theoret Biol & Biophys, Los Alamos, NM USA. EM tti@lanl.gov FU National Institutes of Health [R01-AI028433, R01-OD011095, AI106437] FX This research was funded by the National Institutes of Health grants R01-AI028433 and R01-OD011095 (awarded to ASP), and the National Institutes of Health grant AI106437 (awarded to TL). The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. NR 56 TC 3 Z9 3 U1 1 U2 3 PU PUBLIC LIBRARY SCIENCE PI SAN FRANCISCO PA 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA SN 1553-734X EI 1553-7358 J9 PLOS COMPUT BIOL JI PLoS Comput. Biol. PD DEC PY 2015 VL 11 IS 12 AR e1004625 DI 10.1371/journal.pcbi.1004625 PG 26 WC Biochemical Research Methods; Mathematical & Computational Biology SC Biochemistry & Molecular Biology; Mathematical & Computational Biology GA DB4ZJ UT WOS:000368521900026 PM 26693708 ER PT J AU Dyatkin, B Mamontov, E Cook, KM Gogotsi, Y AF Dyatkin, Boris Mamontov, Eugene Cook, Kevin M. Gogotsi, Yury TI Capacitance, charge dynamics, and electrolyte-surface interactions in functionalized carbide-derived carbon electrodes SO PROGRESS IN NATURAL SCIENCE-MATERIALS INTERNATIONAL LA English DT Article DE Supercapacitor; Carbide-derived carbon; Neutron scattering; Energy storage; Porous materials; Surface chemistry ID TEMPERATURE IONIC LIQUIDS; NANOPOROUS CARBON; ELECTROCHEMICAL PERFORMANCE; PORE-SIZE; SUPERCAPACITORS; SIMULATION; CONDUCTIVITY; ADSORPTION; SCATTERING; CHEMISTRY AB This study analyzed the dynamics of ionic liquid electrolyte inside of defunctionalized, hydrogenated, and aminated pores of carbide-derived carbon supercapacitor electrodes. The approach tailors surface functionalities and tunes nanoporous structures to decouple the influence of pore wall composition on capacitance, ionic resistance, and long-term cyclability. Quasi-elastic neutron scattering probes the self-diffusion properties and electrode-ion interactions of electrolyte molecules confined in functionalized pores. Room-temperature ionic liquid interactions in confined pores are strongest when the hydrogen-containing groups are present on the surface. This property translates into higher capacitance and greater ion transport through pores during electrochemical cycling. Unlike hydrogenated pores, aminated pores do not favorably interact with ionic liquid ions and, subsequently, are outperformed by defunctionalized surfaces. (C) 2015 The Authors. Production and hosting by Elsevier B.V. on behalf of Chinese Materials Research Society. C1 [Dyatkin, Boris; Cook, Kevin M.; Gogotsi, Yury] Drexel Univ, Dept Mat Sci & Engn, Philadelphia, PA 19104 USA. [Dyatkin, Boris; Cook, Kevin M.; Gogotsi, Yury] Drexel Univ, AJ Drexel Nanomat Inst, Philadelphia, PA 19104 USA. [Mamontov, Eugene] Oak Ridge Natl Lab, Spallat Neutron Source, Oak Ridge, TN 37831 USA. RP Gogotsi, Y (reprint author), Drexel Univ, Dept Mat Sci & Engn, Philadelphia, PA 19104 USA. EM gogotsi@drexel.edu RI Mamontov, Eugene/Q-1003-2015; OI Mamontov, Eugene/0000-0002-5684-2675; Dyatkin, Boris/0000-0001-7537-2181 FU Fluid Interface Reactions, Structures and Transport (FIRST) Center, an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences FX This study was supported by the Fluid Interface Reactions, Structures and Transport (FIRST) Center, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. Quasi elastic neutron scattering experiments (at ORNL) were made available through the Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy. The authors thank Francis W. Richey and Maria R. Lukatskaya (Drexel University) for assistance with dynamic water vapor sorption and SEM analysis. NR 48 TC 3 Z9 3 U1 6 U2 33 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 1002-0071 EI 1745-5391 J9 PROG NAT SCI-MATER JI Prog. Nat. Sci. PD DEC PY 2015 VL 25 IS 6 BP 631 EP 641 DI 10.1016/j.pnsc.2015.11.007 PG 11 WC Materials Science, Multidisciplinary; Multidisciplinary Sciences SC Materials Science; Science & Technology - Other Topics GA DB8MX UT WOS:000368771900013 ER PT J AU Zhou, XW Ward, DK Doty, FP Zimmerman, JA Wong, BM Cruz-Campa, JL Nielson, GN Chavez, JJ Zubia, D McClure, JC AF Zhou, Xiao Wang Ward, Donald K. Doty, F. Patrick Zimmerman, Jonathan A. Wong, Bryan M. Cruz-Campa, Jose Luis Nielson, Gregory N. Chavez, Jose Juan Zubia, David McClure, John C. TI A prediction of dislocation-free CdTe/CdS photovoltaic multilayers via nano-patterning and composition grading SO PROGRESS IN PHOTOVOLTAICS LA English DT Article DE CdTe/CdS solar cells; nanostructure; molecular dynamics; bond order potential ID TRANSMISSION ELECTRON-MICROSCOPY; MOLECULAR-DYNAMICS SIMULATION; BOND-ORDER POTENTIALS; FILM SOLAR-CELLS; MULTICOMPONENT SYSTEMS; THIN-FILMS; GROWTH; DEPOSITION; SURFACE; STRAIN AB Defects in multilayered films have long been a performance-limiting problem for the semiconductor industry. For instance, CdTe/CdS solar cell efficiencies have had significant improvement in the past 15 years or more without addressing the problem of high misfit dislocation densities. Overcoming this stagnation requires a fundamental understanding of interfacial defect formation. Herein, we demonstrate a new first principles-based CdTe bond-order approach that enables efficient molecular dynamics to approach the fidelity of density functional theory. Stringent quantum-mechanical verification and experimental validation tests reveal that our new approach provides an accurate prediction of defects that earlier methods cannot. Using this new capability, we show that misfit dislocations in CdTe/CdS multilayers can be significantly reduced via nano-patterning and composition grading and more importantly, dislocation-free multilayers naturally arise when the pattern dimension is reduced below 90 nm. Our predictive methods are generally applicable to other materials, highlighting a rational approach towards low-defect semiconductor films. Copyright (C) 2015 John Wiley & Sons, Ltd. C1 [Zhou, Xiao Wang; Ward, Donald K.; Doty, F. Patrick; Zimmerman, Jonathan A.] Sandia Natl Labs, Livermore, CA 94550 USA. [Wong, Bryan M.] Univ Calif Riverside, Riverside, CA 92521 USA. [Cruz-Campa, Jose Luis; Nielson, Gregory N.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Chavez, Jose Juan; Zubia, David; McClure, John C.] Univ Texas El Paso, El Paso, TX 79968 USA. RP Zhou, XW (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. EM xzhou@sandia.gov RI Wong, Bryan/B-1663-2009 OI Wong, Bryan/0000-0002-3477-8043 FU US Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; DOE [EE0005859-2013Q3] FX 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 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 US Department of Energy's National Nuclear Security Administration under Contract No. DE-AC04-94AL85000. This work was also performed under DOE Project No. EE0005859-2013Q3. NR 46 TC 3 Z9 3 U1 3 U2 8 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1062-7995 EI 1099-159X J9 PROG PHOTOVOLTAICS JI Prog. Photovoltaics PD DEC PY 2015 VL 23 IS 12 BP 1837 EP 1846 DI 10.1002/pip.2628 PG 10 WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied SC Energy & Fuels; Materials Science; Physics GA DB2VV UT WOS:000368369400016 ER PT J AU Bolinger, M Weaver, S Zuboy, J AF Bolinger, Mark Weaver, Samantha Zuboy, Jarett TI Is $50/MWh solar for real? Falling project prices and rising capacity factors drive utility-scale PV toward economic competitiveness SO PROGRESS IN PHOTOVOLTAICS LA English DT Article DE utility-scale; capacity factor; power purchase agreement; price trends; O&M; economic competitiveness AB Recently announced low-priced power purchase agreements (PPAs) for US utility-scale photovoltaic (PV) projects suggest $50/MWh solar might be viable under certain conditions. To explore this possibility, this paper draws on an increasing wealth of empirical data to analyze trends in three of the most important PPA price drivers: upfront installed project prices, operations, and maintenance (O&M) costs, and capacity factors. Average installed prices among a sample of utility-scale PV projects declined by more than one third (from $5.8/W-AC to $3.7/W-AC) from the 2007-2009 period through 2013, even as costlier systems with crystalline-silicon modules, sun tracking, and higher inverter loading ratios (ILRs) have constituted an increasing proportion of total utility-scale PV capacity (all values shown here are in 2013 dollars). Actual and projected O&M costs from a very small sample of projects appear to range from $20-$40/kW(AC)-year. The average net capacity factor is 30% for projects installed in 2012, up from 24% for projects installed in 2010, owing to better solar resources, higher ILRs, and greater use of tracking among the more recent projects. Based on these trends, a pro-forma financial model suggests that $50/MWh utility-scale PV is achievable using a combination of aggressive-but-achievable technical and financial input parameters (including receipt of the 30% federal investment tax credit). Although the US utility-scale PV market is still young, the rapid progress in the key metrics documented in this paper has made PV a viable competitor against other utility-scale renewable generators, and even conventional peaking generators, in certain regions of the country. Published 2015. This article is a U.S. Government work and is in the public domain in the USA. C1 [Bolinger, Mark; Weaver, Samantha] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Bolinger, M (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd,MS 90-4000, Berkeley, CA 94720 USA. EM MABolinger@lbl.gov FU US Department of Energy's Solar Energy Technologies Office, within the Office of Energy Efficiency and Renewable Energy [DE-AC02-05CH11231] FX The work described in this paper was funded by the US Department of Energy's Solar Energy Technologies Office, within the Office of Energy Efficiency and Renewable Energy, under Contract No. DE-AC02-05CH11231. NR 14 TC 3 Z9 3 U1 4 U2 8 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1062-7995 EI 1099-159X J9 PROG PHOTOVOLTAICS JI Prog. Photovoltaics PD DEC PY 2015 VL 23 IS 12 BP 1847 EP 1856 DI 10.1002/pip.2630 PG 10 WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied SC Energy & Fuels; Materials Science; Physics GA DB2VV UT WOS:000368369400017 ER PT J AU Bellamy, M Puskin, J Hertel, N Eckerman, K AF Bellamy, M. Puskin, J. Hertel, N. Eckerman, K. TI An empirical method for deriving RBE values associated with electrons, photons and radionuclides SO RADIATION PROTECTION DOSIMETRY LA English DT Article ID TRACK STRUCTURE-ANALYSIS; LOW-ENERGY ELECTRONS; MAMMOGRAPHY X-RAYS; GAMMA-RAYS; NEOPLASTIC TRANSFORMATION; BIOLOGICAL EFFECTIVENESS; CHROMOSOME-ABERRATIONS; HUMAN-LYMPHOCYTES; LIQUID WATER; RADIATION AB There is substantial evidence to justify using relative biological effectiveness (RBE) values of > 1 for low-energy electrons and photons. But, in the field of radiation protection, radiation associated with low linear energy transfer has been assigned a radiation weighting factor w(R) of 1. This value may be suitable for radiation protection but, for risk considerations, it is important to evaluate the potential elevated biological effectiveness of radiation to improve the quality of risk estimates. RBE values between 2 and 3 for tritium are implied by several experimental measurements. Additionally, elevated RBE values have been found for other similar low-energy radiation sources. In this work, RBE values are derived for electrons based upon the fractional deposition of absorbed dose of energies less than a few kiloelectron volts. Using this empirical method, RBE values were also derived for monoenergetic photons and 1070 radionuclides from ICRP Publication 107 for which photons and electrons are the primary emissions. C1 [Bellamy, M.; Hertel, N.; Eckerman, K.] Oak Ridge Natl Lab, Ctr Radiat Protect Knowledge, POB 2008, Oak Ridge, TN 37831 USA. [Puskin, J.] EPA, Ctr Sci & Technol, Radiat Protect Div, ORIA 6608J, Washington, DC 20460 USA. RP Bellamy, M (reprint author), Oak Ridge Natl Lab, Ctr Radiat Protect Knowledge, POB 2008, Oak Ridge, TN 37831 USA. EM bellamymb@ornl.gov FU U.S. Environmental Protection Agency Office of Air and Radiation FX This work was supported by the U.S. Environmental Protection Agency Office of Air and Radiation and was prepared by Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the U.S. Department of Energy. NR 38 TC 0 Z9 0 U1 1 U2 2 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0144-8420 EI 1742-3406 J9 RADIAT PROT DOSIM JI Radiat. Prot. Dosim. PD DEC PY 2015 VL 167 IS 4 BP 664 EP 670 DI 10.1093/rpd/ncu358 PG 7 WC Environmental Sciences; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Environmental Sciences & Ecology; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA DB3IY UT WOS:000368405600034 PM 25636403 ER PT J AU Finsterle, S AF Finsterle, Stefan TI Practical notes on local data-worth analysis SO WATER RESOURCES RESEARCH LA English DT Article ID GROUNDWATER-FLOW SYSTEM; SENSITIVITY-ANALYSIS; GLOBAL SENSITIVITY; MODEL PREDICTIONS; SUBSURFACE; UNCERTAINTY; STATISTICS; VALIDATION; REGRESSION; EARTH AB These notes discuss the usefulness, limitations, and potential pitfalls of using sensitivity indices as a means to evaluate data worth and to guide the formulation and solution of inverse problems. A sensitivity analysis examines changes in model output variables with respect to changes in model input parameters. It appears straightforward to use this information to select influential parameters that should be subjected to estimation by inverse modeling and to identify the observations that contain information about these parameters and thus may be useful as calibration points. However, the results of such a sensitivity analysis do not account for parameter correlations and redundancies in observations and may not properly separate between calibration and prediction targets if used as criteria that guide inverse modeling; they may thus yield misleading recommendations about parameter identifiability and data worth. These issues (and some remedies) are discussed using an illustrative example, in which we examine the value of data sets potentially used for the calibration of a geothermal reservoir model. These notes highlight the importance of carefully formulating the objectives of a simulation study, which controls the setup of the inverse problem and related data needs. C1 [Finsterle, Stefan] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Earth Sci Div, Berkeley, CA 94720 USA. RP Finsterle, S (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Earth Sci Div, Berkeley, CA 94720 USA. EM SAFinsterle@lbl.gov RI Finsterle, Stefan/A-8360-2009 OI Finsterle, Stefan/0000-0002-4446-9906 FU U.S. Dept. of Energy [DE-AC02-05CH11231]; TOUGH Development grant FX The constructive comments of the reviewers and Associate Editor are greatly appreciated. This work and the implementation of the sensitivity and data-worth analysis capabilities were supported, in part, by the TOUGH Development grant and the U.S. Dept. of Energy under contract DE-AC02-05CH11231. The source code of iTOUGH2 can be licensed at http://esd.lbl.gov/TOUGH2; the input files used for the analyses are available from the author upon request. The example discussed in this paper was originally formulated by participants of the short course "Introduction to Inverse Modelling of Geothermal Reservoirs using iTOUGH2,'' held November 27 to December 2, 2014 at the University of Auckland, New Zealand. I thank L. Magnusdottir and C. Doughty for their review of an earlier version of the manuscript. NR 37 TC 2 Z9 2 U1 1 U2 6 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 DEC PY 2015 VL 51 IS 12 BP 9904 EP 9924 DI 10.1002/2015WR017445 PG 21 WC Environmental Sciences; Limnology; Water Resources SC Environmental Sciences & Ecology; Marine & Freshwater Biology; Water Resources GA DB3OR UT WOS:000368421500029 ER PT J AU Sottile, M Dagit, J Zhang, DL Hendry, G Dechev, D AF Sottile, Matthew Dagit, Jason Zhang, Deli Hendry, Gilbert Dechev, Damian TI Static Analysis Techniques for Semiautomatic Synthesis of Message Passing Software Skeletons SO ACM TRANSACTIONS ON MODELING AND COMPUTER SIMULATION LA English DT Article ID SIMULATION; SYSTEMS AB The design of high-performance computing architectures requires performance analysis of large-scale parallel applications to derive various parameters concerning hardware design and software development. The process of performance analysis and benchmarking an application can be done in several ways with varying degrees of fidelity. One of the most cost-effective ways is to do a coarse-grained study of large-scale parallel applications through the use of program skeletons. The concept of a "program skeleton" that we discuss in this article is an abstracted program that is derived from a larger program where source code that is determined to be irrelevant is removed for the purposes of the skeleton. In this work, we develop a semiautomatic approach for extracting program skeletons based on compiler program analysis. We demonstrate correctness of our skeleton extraction process by comparing details from communication traces, as well as show the performance speedup of using skeletons by running simulations in the SST/macro simulator. C1 [Sottile, Matthew; Dagit, Jason] Galois Inc, Res & Engn, Portland, OR 97204 USA. [Zhang, Deli; Dechev, Damian] Univ Cent Florida, Coll Engn & Comp Sci, Harris Engn Ctr, Orlando, FL 32816 USA. [Hendry, Gilbert; Dechev, Damian] Sandia Natl Labs, Livermore, CA 94551 USA. RP Sottile, M (reprint author), Galois Inc, Res & Engn, 421 SW 6th Ave,Suite 300, Portland, OR 97204 USA. EM mjsottile@gmail.com; dagit@galois.com; de-li.zhang@knights.ucf.edu; ghendry@sandia.gov; dechev@eecs.ucf.edu FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04- 94AL85000] FX Sandia National Laboratories is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04- 94AL85000. NR 22 TC 0 Z9 0 U1 0 U2 0 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 2 PENN PLAZA, STE 701, NEW YORK, NY 10121-0701 USA SN 1049-3301 EI 1558-1195 J9 ACM T MODEL COMPUT S JI ACM Trans. Model. Comput. Simul. PD DEC PY 2015 VL 26 IS 1 SI SI AR 4 DI 10.1145/2778888 PG 24 WC Computer Science, Interdisciplinary Applications; Mathematics, Applied SC Computer Science; Mathematics GA DA6RW UT WOS:000367933900005 ER PT J AU Yoginath, SB Perumalla, KS AF Yoginath, Srikanth B. Perumalla, Kalyan S. TI Efficient Parallel Discrete Event Simulation on Cloud/Virtual Machine Platforms SO ACM TRANSACTIONS ON MODELING AND COMPUTER SIMULATION LA English DT Article DE Parallel discrete event simulation; time warp; global virtual time; virtual machines; scheduler ID EXECUTION AB Cloud and Virtual Machine (VM) technologies present new challenges with respect to performance and monetary cost in executing parallel discrete event simulation (PDES) applications. Due to the introduction of overall cost as a metric, the traditional use of the highest-end computing configuration is no longer the most obvious choice. Moreover, the unique runtime dynamics and configuration choices of Cloud and VM platforms introduce new design considerations and runtime characteristics specific to PDES over Cloud/VMs. Here, an empirical study is presented to help understand the dynamics, trends, and trade-offs in executing PDES on Cloud/VM platforms. Performance and cost measures obtained from multiple PDES applications executed on the Amazon EC2 Cloud and on a high-end VM host machine reveal new, counterintuitive VM-PDES dynamics and guidelines. One of the critical aspects uncovered is the fundamental mismatch in hypervisor scheduler policies designed for general Cloud workloads versus the virtual time ordering needed for PDES workloads. This insight is supported by experimental data revealing the gross deterioration in PDES performance traceable to VM scheduling policy. To overcome this fundamental problem, the design and implementation of a new deadlock-free scheduler algorithm are presented, optimized specifically for PDES applications on VMs. The scalability of our scheduler has been tested in up to 128 VMs multiplexed on 32 cores, showing significant improvement in the runtime relative to the default Cloud/VM scheduler. The observations, algorithmic design, and results are timely for emerging Cloud/VM-based installations, highlighting the need for PDES-specific support in high-performance discrete event simulations on Cloud/VM platforms. C1 [Yoginath, Srikanth B.; Perumalla, Kalyan S.] Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Yoginath, SB (reprint author), 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. OI Perumalla, Kalyan/0000-0002-7458-0832 NR 23 TC 2 Z9 2 U1 0 U2 1 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 2 PENN PLAZA, STE 701, NEW YORK, NY 10121-0701 USA SN 1049-3301 EI 1558-1195 J9 ACM T MODEL COMPUT S JI ACM Trans. Model. Comput. Simul. PD DEC PY 2015 VL 26 IS 1 SI SI AR 5 DI 10.1145/2746232 PG 26 WC Computer Science, Interdisciplinary Applications; Mathematics, Applied SC Computer Science; Mathematics GA DA6RW UT WOS:000367933900006 ER PT J AU Logue, JM Sherman, MH Lunden, MM Klepeis, NE Williams, R Croghan, C Singer, BC AF Logue, J. M. Sherman, M. H. Lunden, M. M. Klepeis, N. E. Williams, R. Croghan, C. Singer, B. C. TI Development and assessment of a physics-based simulation model to investigate residential PM2.5 infiltration across the US housing stock SO BUILDING AND ENVIRONMENT LA English DT Article DE PM2.5; Indoor; Infiltration; Simulation; Residential ID FINE PARTICULATE MATTER; AIR EXCHANGE-RATES; INDOOR ENVIRONMENT; ASTHMATIC-CHILDREN; OUTDOOR SOURCES; HUMAN EXPOSURE; PARTICLES; POLLUTION; DEARS; DISTRIBUTIONS AB The Lawrence Berkeley National Laboratory Population Impact Assessment Modeling Framework (PIAMF) was expanded to enable determination of indoor PM2.5 concentrations and exposures in a set of 50,000 homes representing the US housing stock. A mass-balance model is used to calculate time-dependent pollutant concentrations within each home. The model includes size- and species-dependent removal mechanisms. The particle model was applied to the housing samples of the Relationship of Indoor, Outdoor, and Personal Air (RIOPA) and The Detroit Exposure and Aerosol Research Study (DEARS) studies to compare model- and measurement-based estimates of indoor PM2.5 of outdoor origin. Model-derived distributions of infiltration factors (ratio of indoor PM2.5 of outdoor origin to outdoor PM2.5) are compared to measurement-based distributions obtained in studies conducted in 11 US cities. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Logue, J. M.; Sherman, M. H.; Singer, B. C.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Energy Technol Area, Berkeley, CA 94720 USA. [Lunden, M. M.] Aclima Inc, San Francisco, CA USA. [Klepeis, N. E.] Stanford Univ, Dept Civil & Environm Engn, Stanford, CA 94305 USA. [Klepeis, N. E.] San Diego State Univ, San Diego State Univ Res Fdn, Grad Sch Publ Hlth, Ctr Behav Epidemiol & Community Hlth C BEACH, San Diego, CA 92182 USA. [Williams, R.; Croghan, C.] US EPA, Human Exposure & Atmospher Sci Div, Res Triangle Pk, NC 27711 USA. RP Logue, JM (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Energy Technol Area, Berkeley, CA 94720 USA. EM jmlogue@lbl.gov FU U.S. Dept. of Energy Building Technologies Program, Office of Energy Efficiency and Renewable Energy under DOE [DE-AC02-05CH11231]; U.S. Dept. of Housing and Urban Development Office of Healthy Homes and Lead Hazard Control [I-PHI-01070]; U.S. Environmental Protection Agency [DW-89-9232201-7] FX Funding was provided by the U.S. Dept. of Energy Building Technologies Program, Office of Energy Efficiency and Renewable Energy under DOE Contract No. DE-AC02-05CH11231; by the U.S. Dept. of Housing and Urban Development Office of Healthy Homes and Lead Hazard Control through Interagency Agreement I-PHI-01070, and by the U.S. Environmental Protection Agency through Interagency Agreement DW-89-9232201-7. We would like to thank the Human Exposure and Atmospheric Sciences Division of the US Environmental Protection Agency for sharing data from the Detroit Exposure and Aerosol Research Study. We would also like to thank the University of Medicine and Dentistry of New Jersey, Rutgers University, the Health Effects Institute, Mickey Leland National Urban Air Toxics Research Center, and Atmospheric and Environmental Research for compiling and maintain an online database of measurement from the Relationships of Indoor, Outdoor, and Personal Air database. We would also like to thank the MESA AIR research group for providing data from their measurement studies. The United States Environmental Protection Agency through its Office of Research and Development has provided administrative review of this article and approved for publication. NR 48 TC 2 Z9 2 U1 7 U2 16 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0360-1323 EI 1873-684X J9 BUILD ENVIRON JI Build. Environ. PD DEC PY 2015 VL 94 BP 21 EP 32 DI 10.1016/j.buildenv.2015.06.032 PN 1 PG 12 WC Construction & Building Technology; Engineering, Environmental; Engineering, Civil SC Construction & Building Technology; Engineering GA DA4GX UT WOS:000367759300003 ER PT J AU Hong, TZ D'Oca, S Taylor-Lange, SC Turner, WJN Chen, YX Corgnati, SP AF Hong, Tianzhen D'Oca, Simona Taylor-Lange, Sarah C. Turner, William J. N. Chen, Yixing Corgnati, Stefano P. TI An ontology to represent energy-related occupant behavior in buildings. Part II: Implementation of the DNAS framework using an XML schema SO BUILDING AND ENVIRONMENT LA English DT Article DE Occupant behavior; Building simulation; Energy modeling; XML schema; Building energy consumption; obXML ID OFFICE BUILDINGS; THERMAL COMFORT; CONTROL-SYSTEMS; MODEL; PERFORMANCE; ENVIRONMENT; PATTERNS; BLINDS AB Energy-related occupant behavior in buildings is difficult to define and quantify, yet critical to our understanding of total building energy consumption. Part I of this two-part paper introduced the DNAS (Drivers, Needs, Actions and Systems) framework, to standardize the description of energy-related occupant behavior in buildings. Part II of this paper implements the DNAS framework into an XML (eXtensible Markup Language) schema, titled 'occupant behavior XML' (obXML). The obXML schema is used for the practical implementation of the DNAS framework into building simulation tools. The topology of the DNAS framework implemented in the obXML schema has a main root element OccupantBehavior, linking three main elements representing Buildings, Occupants and Behaviors. Using the schema structure, the actions of turning on an air conditioner and closing blinds provide two examples of how the schema standardizes these actions using XML. The obXML schema has inherent flexibility to represent numerous, diverse and complex types of occupant behaviors in buildings, and it can also be expanded to encompass new types of behaviors. The implementation of the DNAS framework into the obXML schema will facilitate the development of occupant information modeling (OIM) by providing interoperability between occupant behavior models and building energy modeling programs. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Hong, Tianzhen; D'Oca, Simona; Taylor-Lange, Sarah C.; Turner, William J. N.; Chen, Yixing] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [D'Oca, Simona; Corgnati, Stefano P.] Politecn Torino, Dept Energy, Turin, Italy. [Turner, William J. N.] Univ Coll Dublin, Elect Res Ctr, Dublin 2, Ireland. RP Hong, TZ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM thong@lbl.gov OI Hong, Tianzhen/0000-0003-1886-9137 FU United States Department of Energy under the U.S.-China Clean Energy Research Center for Building Energy Efficiency [DE-AC02-05CH11231] FX This work was sponsored by the United States Department of Energy (Contract No. DE-AC02-05CH11231) under the U.S.-China Clean Energy Research Center for Building Energy Efficiency. This work is also part of the research activities of the International Energy Agency Energy in Bulidings and Communities Program Annex 66, Definition and Simulation of Occupant Behavior in Buildings. NR 50 TC 8 Z9 9 U1 2 U2 10 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0360-1323 EI 1873-684X J9 BUILD ENVIRON JI Build. Environ. PD DEC PY 2015 VL 94 BP 196 EP 205 DI 10.1016/j.buildenv.2015.08.006 PN 1 PG 10 WC Construction & Building Technology; Engineering, Environmental; Engineering, Civil SC Construction & Building Technology; Engineering GA DA4GX UT WOS:000367759300017 ER PT J AU Arora, AS Zafar, S Kollmar, O Llorens, F Tahir, W Vanselow, S Kumar, P Schmerr, MJ Schmitz, M Zerr, I AF Arora, Amandeep Singh Zafar, Saima Kollmar, Otto Llorens, Franc Tahir, Waqas Vanselow, Sven Kumar, Prateek Schmerr, Mary Jo Schmitz, Matthias Zerr, Inga TI Application of capillary immunoelectrophoresis revealed an age- and gender-dependent regulated expression of PrPC in liver SO ELECTROPHORESIS LA English DT Article DE Age; Capillary immunoelectrophoresis; Gender; Liver; PrPC ID CELLULAR PRION PROTEIN; LASER-INDUCED FLUORESCENCE; ZONE-ELECTROPHORESIS; MOUSE; ADSORPTION; TISSUES; EMBRYOS; CELLS; SHEEP; VARY AB The cellular prion protein (PrPC) is a glycoprotein, anchored to the plasma membrane and abundantly expressed in the central nervous system. The expression of PrPC in the peripheral tissues is low and only little information is available on its functions in the nonneuronal tissues. The antioxidant function of PrPC during the activation of hepatic stellate cells has already been reported. Therefore, the aim of the study was to expand our knowledge on the functions of PrPC by detailed characterization of its expressional profile in the liver. In a combined strategy by using capillary immunoelectrophoresis and standard techniques, we have shown a sexually dimorphic expression of PrPC in mice and human liver tissues. Further, we showed a significant age-dependent upregulation of PrPC expression in the liver of 14-and 9-month-old mice as compared to 3 months of age. Therefore, this study may provide new insights into the gender-specific role of PrPC in the liver, which may further be linked to its protective role against oxidative stress during aging. In addition, the current study also shows an application of immunoelectrophoresis with a low coefficient of variation to analyze the miniscule amount of PrPC in the mouse liver tissue. C1 [Arora, Amandeep Singh; Zafar, Saima; Llorens, Franc; Tahir, Waqas; Vanselow, Sven; Kumar, Prateek; Schmitz, Matthias; Zerr, Inga] Univ Med Ctr Gottingen, Clin Dementia Ctr, Dept Neurol, D-37075 Gottingen, Germany. [Arora, Amandeep Singh; Zafar, Saima; Llorens, Franc; Tahir, Waqas; Vanselow, Sven; Kumar, Prateek; Schmitz, Matthias; Zerr, Inga] German Ctr Neurodegenerat Dis DZNE, Gottingen, Germany. [Kollmar, Otto] Univ Med Ctr Gottingen, Dept Gen Visceral & Pediat Surg, D-37075 Gottingen, Germany. [Schmerr, Mary Jo] Iowa State Univ, US DOE, Ames Lab, Ames, IA USA. RP Zerr, I (reprint author), Univ Med Ctr Gottingen, Clin Dementia Ctr, Dept Neurol, Robert Koch Str 40, D-37075 Gottingen, Germany. EM ingazerr@med.uni-goettingen.de FU EU Joint Program - Neurodegenerative Disease Research (JPND - DEMTEST) [01ED1201A]; Robert Koch Institute through Federal Ministry of Health [1369-341]; European Commission [222887, FP7-KBBE-2007-2A] FX The authors acknowledge the financial support provided by grants from the EU Joint Program - Neurodegenerative Disease Research (JPND - DEMTEST (Biomarker based diagnosis of rapid progressive dementias-optimization of diagnostic protocols, 01ED1201A), also partly supported by the Robert Koch Institute through funds from the Federal Ministry of Health (grant no. 1369-341), and by a grant from the European Commission (Protecting the food chain from prions: shaping European priorities through basic and applied research (PRIORITY, No. 222887) project number: FP7-KBBE-2007-2A), technical support by Katrin Thune, Mohsin Rosemol George, Simranjit Singh Rehal, and Nadine Gotzmann. NR 26 TC 1 Z9 1 U1 2 U2 2 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0173-0835 EI 1522-2683 J9 ELECTROPHORESIS JI Electrophoresis PD DEC PY 2015 VL 36 IS 24 BP 3026 EP 3033 DI 10.1002/elps.201500244 PG 8 WC Biochemical Research Methods; Chemistry, Analytical SC Biochemistry & Molecular Biology; Chemistry GA DA8BB UT WOS:000368028200007 PM 26377521 ER PT J AU Sangwan, N Lambert, C Sharma, A Gupta, V Khurana, P Khurana, JP Sockett, RE Gilbert, JA Lal, R AF Sangwan, Naseer Lambert, Carey Sharma, Anukriti Gupta, Vipin Khurana, Paramjit Khurana, Jitendra P. Sockett, R. Elizabeth Gilbert, Jack A. Lal, Rup TI Arsenic rich Himalayan hot spring metagenomics reveal genetically novel predator-prey genotypes SO ENVIRONMENTAL MICROBIOLOGY REPORTS LA English DT Article ID ENTEROBACTER-CLOACAE SLD1A-1; BDELLOVIBRIO-BACTERIOVORUS; SEQUENCE DATA; PHYLOGENETIC ANALYSES; MAXIMUM-LIKELIHOOD; GENOME SEQUENCE; SEARCH TOOL; ALIGNMENT; GENES; REDUCTION AB Bdellovibrio bacteriovorus are small Deltaproteobacteria that invade, kill and assimilate their prey. Metagenomic assembly analysis of the microbial mats of an arsenic rich, hot spring was performed to describe the genotypes of the predator Bdellovibrio and the ecogenetically adapted taxa Enterobacter. The microbial mats were enriched with Bdellovibrio (1.3%) and several Gram-negative bacteria including Bordetella (16%), Enterobacter (6.8%), Burkholderia (4.8%), Acinetobacter (2.3%) and Yersinia (1%). A high-quality (47 contigs, 25X coverage; 3.5 Mbp) draft genome of Bdellovibrio (strain ArHS; Arsenic Hot Spring) was reassembled, which lacked the marker gene Bd0108 associated with the usual method of prey interaction and invasion for this genus, while maintaining genes coding for the hydrolytic enzymes necessary for prey assimilation. By filtering microbial mat samples (< 0.45 mu m) to enrich for small predatory cell sizes, we observed Bdellovibrio-like cells attached side-on to E. coli through electron microscopy. Furthermore, a draft pan-genome of the dominant potential host taxon, Enterobacter cloacae ArHS (4.8 Mb), along with three of its viral genotypes (n = 3; 42 kb, 49 kb and 50 kb), was assembled. These data were further used to analyse the population level evolutionary dynamics (taxonomical and functional) of reconstructed genotypes. C1 [Sangwan, Naseer; Sharma, Anukriti; Gupta, Vipin; Lal, Rup] Univ Delhi, Dept Zool, Delhi 110007, India. [Sangwan, Naseer; Gilbert, Jack A.] Argonne Natl Lab, Biosci Div BIO, Argonne, IL 60439 USA. [Lambert, Carey; Sockett, R. Elizabeth] Univ Nottingham, Inst Genet, Sch Life Sci, Queens Med Ctr, Nottingham NG7 2RD, England. [Khurana, Paramjit; Khurana, Jitendra P.] Univ Delhi, Interdisciplinary Ctr Plant Genom, New Delhi 110021, India. [Khurana, Paramjit; Khurana, Jitendra P.] Univ Delhi, Dept Plant Mol Biol, New Delhi 110021, India. [Gilbert, Jack A.] Univ Chicago, Dept Ecol & Evolut, Chicago, IL 60637 USA. [Gilbert, Jack A.] Zhejiang Univ, Coll Environm & Resource Sci, Hangzhou 310058, Zhejiang, Peoples R China. RP Lal, R (reprint author), Univ Delhi, Dept Zool, Delhi 110007, India. EM ruplal@gmail.com FU Government of India under the project, National Bureau of Agriculturally Important Microorganisms (NBAIM) [AMASS/2006-07/NBAIM/CIR]; University of Delhi/Department of Science and Technology Promotion of University Research and Scientific Excellence (PURSE)-DU DST - PURSE GRANT Department of Biotechnology (DBT); Council for Scientific and Industrial Research (CSIR); National Bureau of Agriculturally Important Microorganisms (NBAIM); Alexander von Humboldt Fellowship FX We thank Scott Fendorf Department of Environmental Earth System Science, Stanford University, California for geochemical analysis of the samples. The work was supported by Grants from Government of India under the project, National Bureau of Agriculturally Important Microorganisms (NBAIM) AMASS/2006-07/NBAIM/CIR, the University of Delhi/Department of Science and Technology Promotion of University Research and Scientific Excellence (PURSE)-DU DST - PURSE GRANT Department of Biotechnology (DBT). NS, VG and AS gratefully acknowledge the Council for Scientific and Industrial Research (CSIR) and the National Bureau of Agriculturally Important Microorganisms (NBAIM) for providing research fellowships. This paper was revised during a renewed visit under an Alexander von Humboldt Fellowship (at the University of Freiburg, Germany) awarded to RL. NR 56 TC 8 Z9 8 U1 4 U2 11 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1758-2229 J9 ENV MICROBIOL REP JI Environ. Microbiol. Rep. PD DEC PY 2015 VL 7 IS 6 BP 812 EP 823 DI 10.1111/1758-2229.12297 PG 12 WC Environmental Sciences; Microbiology SC Environmental Sciences & Ecology; Microbiology GA DA9NL UT WOS:000368136100001 PM 25953741 ER PT J AU Beck, MW Hagy, JD AF Beck, Marcus W. Hagy, James D., III TI Adaptation of a Weighted Regression Approach to Evaluate Water Quality Trends in an Estuary SO ENVIRONMENTAL MODELING & ASSESSMENT LA English DT Article DE Trend analysis; Weighted regression; Estuary; Chlorophyll; Salinity; Tampa Bay ID QUANTILE REGRESSION; CHESAPEAKE BAY; PHYTOPLANKTON BIOMASS; TAMPA BAY; EUTROPHICATION; FLORIDA; MODEL; RIVER; REDUCTIONS; ECOSYSTEMS AB To improve the description of long-term changes in water quality, a weighted regression approach developed to describe trends in pollutant transport in rivers was adapted to analyze a long-term water quality dataset from Tampa Bay, Florida. The weighted regression approach allows for changes in the relationships between water quality and explanatory variables by using dynamic model parameters and can more clearly resolve the effects of both natural and anthropogenic drivers of ecosystem response. The model resolved changes in chlorophyll-a (chl-a) from 1974 to 2012 at seasonal and multi-annual time scales while considering variation associated with changes in freshwater influence. Separate models were developed for each of the four Bay segments to evaluate spatial differences in patterns of long-term change. Observed trends reflected the known decrease in nitrogen loading to Tampa Bay since the 1970s. Although median chl-a has remained constant in recent decades, model predictions indicated that variation has increased for upper Bay segments and that low biomass events in the lower Bay occur less often. Dynamic relationships between chl-a and freshwater inputs were observed from the model predictions and suggested changes in drivers of primary production across the time series. Results from our analyses have allowed additional insight into water quality changes in Tampa Bay that has not been possible with traditional modeling approaches. The approach could easily be applied to other systems with long-term datasets. C1 [Beck, Marcus W.] US EPA, ORISE Res Participat Program, Natl Hlth & Environm Effects Res Lab, Gulf Ecol Div, Gulf Breeze, FL 32561 USA. [Hagy, James D., III] US EPA, Natl Hlth & Environm Effects Res Lab, Gulf Ecol Div, Gulf Breeze, FL 32561 USA. RP Beck, MW (reprint author), US EPA, ORISE Res Participat Program, Natl Hlth & Environm Effects Res Lab, Gulf Ecol Div, 1 Sabine Isl Dr, Gulf Breeze, FL 32561 USA. EM beck.marcus@epa.gov; hagy.jim@epa.gov NR 44 TC 2 Z9 2 U1 3 U2 9 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1420-2026 EI 1573-2967 J9 ENVIRON MODEL ASSESS JI Environ. Model. Assess. PD DEC PY 2015 VL 20 IS 6 BP 637 EP 655 DI 10.1007/s10666-015-9452-8 PG 19 WC Environmental Sciences SC Environmental Sciences & Ecology GA DA5YW UT WOS:000367879600006 ER PT J AU Althouse, BM Scarpino, SV Meyers, LA Ayers, JW Bargsten, M Baumbach, J Brownstein, JS Castro, L Clapham, H Cummings, DAT Del Valle, S Eubank, S Fairchild, G Finelli, L Generous, N George, D Harper, DR Hebert-Dufresne, L Johansson, MA Konty, K Lipsitch, M Milinovich, G Miller, JD Nsoesie, EO Olson, DR Paul, M Polgreen, PM Priedhorsky, R Read, JM Rodriguez-Barraquer, I Smith, DJ Stefansen, C Swerdlow, DL Thompson, D Vespignani, A Wesolowski, A AF Althouse, Benjamin M. Scarpino, Samuel V. Meyers, Lauren Ancel Ayers, John W. Bargsten, Marisa Baumbach, Joan Brownstein, John S. Castro, Lauren Clapham, Hannah Cummings, Derek A. T. Del Valle, Sara Eubank, Stephen Fairchild, Geoffrey Finelli, Lyn Generous, Nicholas George, Dylan Harper, David R. Hebert-Dufresne, Laurent Johansson, Michael A. Konty, Kevin Lipsitch, Marc Milinovich, Gabriel Miller, Joseph D. Nsoesie, Elaine O. Olson, Donald R. Paul, Michael Polgreen, Philip M. Priedhorsky, Reid Read, Jonathan M. Rodriguez-Barraquer, Isabel Smith, Derek J. Stefansen, Christian Swerdlow, David L. Thompson, Deborah Vespignani, Alessandro Wesolowski, Amy TI Enhancing disease surveillance with novel data streams: challenges and opportunities SO EPJ DATA SCIENCE LA English DT Article DE disease surveillance; novel data streams; digital surveillance ID INFECTIOUS-DISEASES; PREDICTION AB Novel data streams (NDS), such as web search data or social media updates, hold promise for enhancing the capabilities of public health surveillance. In this paper, we outline a conceptual framework for integrating NDS into current public health surveillance. Our approach focuses on two key questions: What are the opportunities for using NDS and what are the minimal tests of validity and utility that must be applied when using NDS? Identifying these opportunities will necessitate the involvement of public health authorities and an appreciation of the diversity of objectives and scales across agencies at different levels (local, state, national, international). We present the case that clearly articulating surveillance objectives and systematically evaluating NDS and comparing the performance of NDS to existing surveillance data and alternative NDS data is critical and has not sufficiently been addressed in many applications of NDS currently in the literature. C1 [Althouse, Benjamin M.; Scarpino, Samuel V.; Meyers, Lauren Ancel; Hebert-Dufresne, Laurent] Santa Fe Inst, Santa Fe, NM 87501 USA. [Meyers, Lauren Ancel] Univ Texas Austin, Austin, TX 78712 USA. [Ayers, John W.] San Diego State Univ, San Diego, CA 92182 USA. [Bargsten, Marisa; Baumbach, Joan; Thompson, Deborah] New Mexico Dept Hlth, Santa Fe, NM USA. [Brownstein, John S.; Nsoesie, Elaine O.] Boston Childrens Hosp, Childrens Hosp Informat Program, Boston, MA USA. [Brownstein, John S.; Nsoesie, Elaine O.] Harvard Univ, Sch Med, Dept Pediat, Boston, MA 02115 USA. [Brownstein, John S.] McGill Univ, Dept Epidemiol Biostat & Occupat Hlth, Montreal, PQ, Canada. [Castro, Lauren; Del Valle, Sara; Fairchild, Geoffrey; Generous, Nicholas; Priedhorsky, Reid] Los Alamos Natl Lab, Def Syst & Anal Div, Los Alamos, NM USA. [Clapham, Hannah; Cummings, Derek A. T.; Rodriguez-Barraquer, Isabel] Johns Hopkins Bloomberg Sch Publ Hlth, Dept Epidemiol, Baltimore, MD USA. [Eubank, Stephen] Virginia Tech, Virginia BioInformat Inst, Blacksburg, VA USA. [Eubank, Stephen] Virginia Tech, Dept Populat Hlth Sci, Blacksburg, VA USA. [Finelli, Lyn] Ctr Dis Control & Prevent, Influenza Div, Atlanta, GA USA. [George, Dylan] US Dept HHS, BARDA, ASPR, Washington, DC 20201 USA. [Harper, David R.] Chatham House, London SW1Y 4LE, England. [Johansson, Michael A.] Ctr Dis Control & Prevent, Div Vector Borne Dis, NCEZID, San Juan, PR USA. [Konty, Kevin; Olson, Donald R.] New York City Dept Hlth & Mental Hyg, Div Epidemiol, New York, NY USA. [Lipsitch, Marc; Wesolowski, Amy] Harvard Univ, Sch Publ Hlth, Communicable Dis Dynam, Boston, MA 02115 USA. [Milinovich, Gabriel] Univ Queensland, Sch Populat Hlth, Brisbane, Qld, Australia. [Miller, Joseph D.] Ctr Dis Control & Prevent, Div Vector Borne Dis, NCEZID, Atlanta, GA USA. [Paul, Michael] Johns Hopkins Univ, Dept Comp Sci, Baltimore, MD 21218 USA. [Polgreen, Philip M.] Univ Iowa, Iowa City, IA USA. [Read, Jonathan M.] Univ Liverpool, Inst Infect & Global Hlth, Dept Epidemiol & Populat Hlth, Liverpool CH64 7TE, Merseyside, England. [Read, Jonathan M.] NIHR, Hlth Protect Res Unit Emerging & Zoonot Infect, Liverpool L69 7BE, Merseyside, England. [Smith, Derek J.] Univ Cambridge, Dept Zool, Cambridge CB2 3EJ, England. [Stefansen, Christian] Google Inc, Mountain View, CA USA. [Swerdlow, David L.] Ctr Dis Control & Prevent, Natl Ctr Immunizat & Resp Dis, Atlanta, GA USA. [Vespignani, Alessandro] Northeastern Univ, Lab Modeling Biol & Sociotech Syst, Boston, MA 02115 USA. RP Althouse, BM (reprint author), Santa Fe Inst, Santa Fe, NM 87501 USA. EM althouse@santafe.edu; scarpino@santafe.edu OI Read, Jonathan/0000-0002-9697-0962 FU Santa Fe Institute; NIH MIDAS Center of Excellence at the Harvard Center for Communicable Disease Dynamics; Frumkin Falco Family Foundation; Omidyar Group FX This publication arose from a Santa Fe Institute workshop entitled, "Next Generation Surveillance for the Next Pandemic." We wish to thank the attendees of this workshop, held May 18th-22nd, 2014 at the Santa Fe Insitute in Santa Fe NM, USA. We also gratefully acknowledge funding from the Santa Fe Institute, the NIH MIDAS Center of Excellence at the Harvard Center for Communicable Disease Dynamics, William Sick, Mike Frumkin and the Frumkin Falco Family Foundation. BMA and SVS also acknowledge support from the Santa Fe Institute and the Omidyar Group. Approved for public release LA-UR-14-25873. NR 36 TC 5 Z9 5 U1 8 U2 11 PU SPRINGER HEIDELBERG PI HEIDELBERG PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY SN 2193-1127 J9 EPJ DATA SCI JI EPJ Data Sci. PD DEC PY 2015 VL 4 IS 1 AR 17 DI 10.1140/epjds/s13688-015-0054-0 PG 8 WC Mathematics, Interdisciplinary Applications; Social Sciences, Mathematical Methods SC Mathematics; Mathematical Methods In Social Sciences GA DA8QE UT WOS:000368069900017 ER PT J AU Mao, HN Shuai, X Ahn, YY Bollen, J AF Mao, Huina Shuai, Xin Ahn, Yong-Yeol Bollen, Johan TI Quantifying socio-economic indicators in developing countries from mobile phone communication data: applications to Cote d'Ivoire SO EPJ DATA SCIENCE LA English DT Article DE mobile phone data; network analysis; big data analysis; socio-economic measurement; developing countries; economic development ID COMPLEX NETWORKS; PATTERNS; SEARCH AB The widespread adoption of mobile devices that record the communications, social relations, and movements of billions of individuals in great detail presents unique opportunities for the study of social structures and human dynamics at very large scales. This is particularly the case for developing countries where social and economic data can be hard to obtain and is often too sparse for real-time analytics. Here we leverage mobile call log data from Cote d'Ivoire to analyze the relations between its nation-wide communications network and the socio-economic dynamics of its regional economies. We introduce the CallRank indicator to quantify the relative importance of an area on the basis of call records, and show that a region's ratio of in- and out-going calls can predict its income level. We detect a communication divide between rich and poor regions of Cote d'Ivoire, which corresponds to existing socio-economic data. Our results demonstrate the potential of mobile communication data to monitor the economic development and social dynamics of low-income developing countries in the absence of extensive econometric and social data. Our work may support efforts to stimulate sustainable economic development and to reduce poverty and inequality. C1 [Mao, Huina] Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. [Shuai, Xin] Thomson Reuters, St Paul, MN USA. [Ahn, Yong-Yeol; Bollen, Johan] Indiana Univ, Sch Informat & Comp, Bloomington, IN USA. RP Mao, HN (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. EM maoh@ornl.gov FU U.S. Department of Energy [DE-AC05-00OR22725] FX At least one or more of the authors of this manuscript are employees of UT-Battelle, LLC, under contract DE-AC05-00OR22725 with the U.S. Department of Energy. Accordingly, the United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. The work was conducted while Huina Mao and Xin Shuai were with Indiana University. NR 36 TC 1 Z9 1 U1 3 U2 8 PU SPRINGER HEIDELBERG PI HEIDELBERG PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY SN 2193-1127 J9 EPJ DATA SCI JI EPJ Data Sci. PD DEC PY 2015 VL 4 IS 1 AR 15 DI 10.1140/epjds/s13688-015-0053-1 PG 16 WC Mathematics, Interdisciplinary Applications; Social Sciences, Mathematical Methods SC Mathematics; Mathematical Methods In Social Sciences GA DA8QE UT WOS:000368069900015 ER PT J AU Aznar, F Castel, J Christensen, FE Dafni, T Decker, TA Ferrer-Ribas, E Garcia, JA Giomataris, I Garza, JG Hailey, CJ Hill, RM Iguaz, FJ Irastorza, IG Jakobsen, AC Luzon, G Mirallas, H Papaevangelou, T Pivovaroff, MJ Ruz, J Vafeiadis, T Vogel, JK AF Aznar, F. Castel, J. Christensen, F. E. Dafni, T. Decker, T. A. Ferrer-Ribas, E. Garcia, J. A. Giomataris, I. Garza, J. G. Hailey, C. J. Hill, R. M. Iguaz, F. J. Irastorza, I. G. Jakobsen, A. C. Luzon, G. Mirallas, H. Papaevangelou, T. Pivovaroff, M. J. Ruz, J. Vafeiadis, T. Vogel, J. K. TI A Micromegas-based low-background x-ray detector coupled to a slumped-glass telescope for axion research SO JOURNAL OF COSMOLOGY AND ASTROPARTICLE PHYSICS LA English DT Article DE axions; dark matter detectors; dark matter experiments; X-ray telescopes ID TIME PROJECTION CHAMBERS; CP CONSERVATION; PARTICLES; READOUT; MIRRORS; CAST AB We report on the design, construction and operation of a low background x-ray detection line composed of a shielded Micromegas detector of the microbulk technology. The detector is made from radiopure materials and is placed at the focal point of a similar to 5 cm diameter, 1.5 m focal-length, cone-approximation Wolter I x-ray telescope (XRT) assembled from thermally-formed (or "slumped") glass substrates deposited with multilayer coatings. The system has been conceived as a technological pathfinder for the future International Axion Observatory (IAXO), as it combines two of the techniques (optic and detector) proposed in the conceptual design of the project. It is innovative for two reasons: it is the first time an x-ray optic has been designed and fabricated specifically for axion research, and the first time a Micromegas detector has been operated with an x-ray optic. The line has been installed at one end of the CERN Axion Solar Telescope (CAST) magnet and is currently looking for solar axions. The combination of the XRT and Micromegas detector provides the best signal-to-noise ratio obtained so far by any detection system of the CAST experiment with a background rate of 5.4 x 10(-3) counts per hour in the energy region-of-interest and signal spot area. C1 [Aznar, F.; Castel, J.; Dafni, T.; Garcia, J. A.; Garza, J. G.; Iguaz, F. J.; Irastorza, I. G.; Luzon, G.; Mirallas, H.] Univ Zaragoza, Grp Fis Nucl & Astroparticulas, E-50009 Zaragoza, Spain. [Christensen, F. E.; Jakobsen, A. C.] Tech Univ Denmark, Natl Space Inst, DTU Space, DK-2800 Lyngby, Denmark. [Decker, T. A.; Hill, R. M.; Pivovaroff, M. J.; Ruz, J.; Vogel, J. K.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Ferrer-Ribas, E.; Giomataris, I.; Papaevangelou, T.] CEA, IRFU, Ctr Etud Nucl Saclay, Gif Sur Yvette, France. [Hailey, C. J.] Columbia Univ, Dept Phys, New York, NY 10027 USA. [Hailey, C. J.] Columbia Univ, Columbia Astrophys Lab, New York, NY 10027 USA. [Vafeiadis, T.] Aristotle Univ Thessaloniki, Thessaloniki 54124, Greece. RP Dafni, T (reprint author), Univ Zaragoza, Grp Fis Nucl & Astroparticulas, C-P Cerbuna 12, E-50009 Zaragoza, Spain. EM faznar@unizar.es; jfcastel@unizar.es; finn@space.dtu.dk; tdafni@unizar.es; decker4@llnl.gov; esther.ferrer-ribas@cea.fr; jagarpas@unizar.es; ioanis.giomataris@cern.ch; jgraciag@unizar.es; chuckh@astro.columbia.edu; runnemrand@yahoo.com; iguaz@unizar.es; igor.irastorza@cern.ch; jakobsen@space.dtu.dk; luzon@unizar.es; mirallas@unizar.es; thomas.papaevangelou@cea.fr; pivovaroff1@llnl.gov; ruzarmendari1@llnl.gov; Theodoros.Vafeiadis@cern.ch; vogel9@llnl.gov RI Gracia Garza, Javier/F-5713-2016; Irastorza, Igor/B-2085-2012; Papaevangelou, Thomas/G-2482-2016; Aznar, Francisco/K-7807-2014; Iguaz Gutierrez, Francisco Jose/F-4117-2016; Dafni, Theopisti/J-9646-2012 OI Gracia Garza, Javier/0000-0003-0800-1588; Irastorza, Igor/0000-0003-1163-1687; Papaevangelou, Thomas/0000-0003-2829-9158; Aznar, Francisco/0000-0003-3629-0540; Iguaz Gutierrez, Francisco Jose/0000-0001-6327-9369; Dafni, Theopisti/0000-0002-8921-910X FU European Commission under the European Research Council T-REX Starting Grant [ERC-2009-StG-240054]; Spanish Ministry MINECO [FPA2008-03456, FPA2011-24058]; CPAN project from the Consolider-Ingenio program [C5D2007-00042]; European Regional Development funded (ERDF/FEDER); U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Juan de la Cierya program; Ramon y Cajal program of MICINN FX We thank our colleagues at CAST for many years of collaborative work and R. de Oliveira and his team at CERN for the manufacturing of the microbulk readouts. We also thank D. Calvet from CEA/Saclay for his help with the AFTER electronics. We acknowledge the support from the European Commission under the European Research Council T-REX Starting Grant ref. ERC-2009-StG-240054 of the IDEAS program of the 7th EU Framework Program. We also acknowledge support from the Spanish Ministry MINECO under contracts ref. FPA2008-03456 and FPA2011-24058, as well as under the CPAN project ref. C5D2007-00042 from the Consolider-Ingenio 2010 program. These grants are partially funded by the European Regional Development funded (ERDF/FEDER). Part of this work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. F.I. acknowledges the support from the Juan de la Cierya program and T.D. from the Ramon y Cajal program of MICINN. NR 50 TC 4 Z9 4 U1 2 U2 4 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 DEC PY 2015 IS 12 AR 008 DI 10.1088/1475-7516/2015/12/008 PG 21 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA DA6AR UT WOS:000367884600008 ER PT J AU Bertoni, B Hooper, D Linden, T AF Bertoni, Bridget Hooper, Dan Linden, Tim TI Examining The Fermi-LAT Third Source Catalog in search of dark matter subhalos SO JOURNAL OF COSMOLOGY AND ASTROPARTICLE PHYSICS LA English DT Article DE dark matter theory; gamma ray experiments ID GAMMA-RAY PULSARS; ANNIHILATION SIGNAL; EVOLUTION; EMISSION; HALOES AB Dark matter annihilations taking place in nearby subhalos could appear as gamma-ray sources without detectable counterparts at other wavelengths. In this study, we consider the collection of unassociated gamma-ray sources reported by the Fermi Collaboration in an effort to identify the most promising dark matter subhalo candidates. While we identify 24 bright, high-latitude, non-variable sources with spectra that are consistent with being generated by the annihilations of similar to 20-70 GeV dark matter particles (assuming annihilations to b (b) over bar), it is not possible at this time to distinguish these sources from radio-faint gamma-ray pulsars. Deeper multi-wavelength observations will be essential to clarify the nature of these sources. It is notable that we do not find any such sources that are well fit by dark matter particles heavier than similar to 100 GeV. We also study the angular distribution of the gamma-rays from this set of subhalo candidates, and find that the source 3FGL J2212.5+0703 prefers a spatially extended profile (of width similar to 0.15 degrees) over that of a point source, with a significance of 4.2 sigma (3.6 sigma after trials factor). Although not yet definitive, this bright and high-latitude gamma-ray source is well fit as a nearby subhalo of m(chi) similar or equal to 20-50 GeV dark matter particles (annihilating to b (b) over bar) and merits further multi-wavelength investigation. Based on the subhalo distribution predicted by numerical simulations, we derive constraints on the dark matter annihilation cross section that are competitive to those resulting from gamma-ray observations of dwarf spheroidal galaxies, the Galactic Center, and the extragalactic gamma-ray background. C1 [Bertoni, Bridget] Univ Washington, Dept Phys, Seattle, WA 98195 USA. [Bertoni, Bridget] Univ Washington, Inst Nucl Theory, Seattle, WA 98195 USA. [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 Bertoni, B (reprint author), Univ Washington, Dept Phys, Seattle, WA 98195 USA. EM bbertoni@stanford.edu; dhooper@fnal.gov; linden.70@osu.edu FU US Department of Energy Office of Science Graduate Student Research (SCGSR) Program [DE-AC05-06OR23100]; U.S. Department of Energy [DE-FG02-00ER41132, DE-SC0011637]; US Department of Energy [DE-FG02-13ER41958]; Fermi Research Alliance, LLC [DE- AC02-07CH11359]; US Department of Energy; National Aeronautics and Space Administration through Einstein Postdoctoral Fellowship [PF3-140110] FX We would like to thank Alex Drlica-Wagner for valuable discussions. BB is supported by the US Department of Energy Office of Science Graduate Student Research (SCGSR) Program under Contrast No. DE-AC05-06OR23100 and the U.S. Department of Energy under Contract Nos. DE-FG02-00ER41132 and DE-SC0011637. DH is supported by the US Department of Energy under contract DE-FG02-13ER41958. Fermi lab is operated by Fermi Research Alliance, LLC, under Contract No. DE- AC02-07CH11359 with the US Department of Energy. TL is supported by the National Aeronautics and Space Administration through Einstein Postdoctoral Fellowship Award No. PF3-140110. NR 44 TC 8 Z9 8 U1 1 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 DEC PY 2015 IS 12 AR 035 DI 10.1088/1475-7516/2015/12/035 PG 21 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA DA6AR UT WOS:000367884600035 ER PT J AU Cholis, I Evoli, C Calore, F Linden, T Weniger, C Hooper, D AF Cholis, Ilias Evoli, Carmelo Calore, Francesca Linden, Tim Weniger, Christoph Hooper, Dan TI The Galactic Center GeV excess from a series of leptonic cosmic-ray outbursts SO JOURNAL OF COSMOLOGY AND ASTROPARTICLE PHYSICS LA English DT Article DE gamma ray theory; cosmic ray theory ID HIGH-ENERGY ELECTRONS; MASSIVE BLACK-HOLE; DARK-MATTER HALOES; FERMI BUBBLES; DENSITY PROFILE; GALAXY; HAZE; BREMSSTRAHLUNG; DIFFUSION; PROPAGATION AB It has been proposed that a recent out burst of cosmic-ray electrons could account for the excess of GeV-scale gamma rays observed from the region surrounding the Galactic Center. After studying this possibility in some detail, we identify scenarios in which a series of leptonic cosmic-ray outbursts could plausibly generate the observed excess. The morphology of the emission observed outside of similar to 1 degrees - 2 degrees from the Galactic Center can be accommodated with two outbursts, one which took place approximately similar to 10(6) years ago, and another (injecting only about 10% as much energy as the first) about similar to 10(5) years ago. The (emission observed from the innermost similar to 1 degrees - 2 degrees requires one or more additional recent outbursts and/or a contribution from a centrally concentrated population of unresolved millisecond pulsars. In order to produce a spectrum that is compatible with the measured excess (whose shape is approximately uniform over the region of the excess), the electrons from the older outburst must be injected with significantly greater average energy than those injected more recently, enabling their spectra to be similar after similar to 10(6) years of energy losses. C1 [Cholis, Ilias] Johns Hopkins Univ, Dept Phys & Astron, Baltimore, MD 21218 USA. [Cholis, Ilias; Hooper, Dan] Fermilab Natl Accelerator Lab, Ctr Particle Astrophys, Batavia, IL 60510 USA. [Evoli, Carmelo] Univ Hamburg, Inst Theoret Phys, D-22761 Hamburg, Germany. [Evoli, Carmelo] Gran Sasso Sci Inst, I-67100 Laquila, Italy. [Calore, Francesca; Weniger, Christoph] Univ Amsterdam, GRAPPA, NL-1090 GL Amsterdam, Netherlands. [Linden, Tim] Ohio State Univ, Ctr Cosmol & AstroParticle Phys CCAPP, Columbus, OH 43210 USA. [Linden, Tim] Ohio State Univ, Dept Phys, Columbus, OH 43210 USA. [Linden, Tim] Univ Chicago, Kavli Inst Cosmol Phys, Chicago, IL 60637 USA. [Hooper, Dan] Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. RP Cholis, I (reprint author), Johns Hopkins Univ, Dept Phys & Astron, Baltimore, MD 21218 USA. EM cholis@fnal.gov; carmelo.evoli@desy.de; f.calore@uva.nl; trlinden@uchicago.edu; c.weniger@uva.nl; dhooper@fnal.gov OI Evoli, Carmelo/0000-0002-6023-5253; Cholis, Ilias/0000-0002-3805-6478 FU US Department of Energy; Helmholtz Alliance for Astroparticle Physics HA; Initiative and Networking Fund of the Helmholtz Association; European Research Council through the ERC starting grant WIMPs Kairos; National Aeronautics and Space Administration through Einstein Postdoctoral Fellowship [PF3-140110]; Netherlands Organisation for Scientific Research (NWO); US Department of Energy [DE-FG02-13ER41958, DE- AC02-07CH11359]; University of Chicago Research Computing Center FX We would like to thank John Beacom, Gianfranco Bertone, Sera Markoff and Andrew Taylor for fruitful discussions. IC is supported by the US Department of Energy, and would like to thank the Korean Institute for Advanced Study (KIAS) for their hospitality during the progression of this work. CE acknowledges support from the "Helmholtz Alliance for Astroparticle Physics HA", funded by the Initiative and Networking Fund of the Helmholtz Association. FC is supported by the European Research Council through the ERC starting grant WIMPs Kairos, P.I. G. Bertone. TL is supported by the National Aeronautics and Space Administration through Einstein Postdoctoral Fellowship Award No. PF3-140110. CW is P.I. of the VIDI research programme "Probing the Genesis of Dark Matter", which is financed by the Netherlands Organisation for Scientific Research (NWO). DU is supported by the US Department of Energy under contract DE-FG02-13ER41958. Fermilab is operated by Fermi Research Alliance, LLC, under Contract No. DE- AC02-07CH11359 with the US Department of Energy. This work has made use of SciPy [94], PyFITS,7 PyMinuit,8 IPython [95], and HEALPix [96]. We acknowledge the University of Chicago Research Computing Center for providing support for this work. NR 94 TC 26 Z9 26 U1 3 U2 4 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 DEC PY 2015 IS 12 AR 005 DI 10.1088/1475-7516/2015/12/005 PG 30 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA DA6AR UT WOS:000367884600005 ER PT J AU Co, RT D'Eramo, F Hall, LJ Pappadopulo, D AF Co, Raymond T. D'Eramo, Francesco Hall, Lawrence J. Pappadopulo, Duccio TI Freeze-In dark matter with displaced signatures at colliders SO JOURNAL OF COSMOLOGY AND ASTROPARTICLE PHYSICS LA English DT Article DE dark matter theory; dark matter experiments; particle physics - cosmology connection; cosmology of theories beyond the SM ID BREAKING; AXINOS AB Dark matter, X, may be generated by new physics at the TeV scale during an early matter-dominated (MD) era that ends at temperature T-R << TeV. Compared to the conventional radiation-dominated (RD) results, yields from both Freeze-Out and Freeze-In processes are greatly suppressed by dilution from entropy production, making Freeze-Out less plausible while allowing successful Freeze-In with a much larger coupling strength. Freeze-In is typically dominated by the decay of a particle B of the thermal bath, B -> X. For a large fraction of the relevant cosmological parameter space, the decay rate required to produce the observed dark matter abundance leads to displaced signals at LHC and future colliders, for any m(X) in the range keV < m(X) < m(B) and for values of m(B) accessible to these colliders. This result applies whether the early MD era arises after conventional inflation, when T-R is the usual reheat temperature, or is a generic MD era with an alternative origin. In the former case, if m(X) is sufficiently large to be measured from kinematics, the reheat temperature T-R can be extracted. Our result is independent of the particular particle physics implementation of B -> X, and can occur via any operator of dimension less than 8 (4) for a post-inflation (general MD) cosmology. An interesting example is provided by DFS axion theories with TeV-scale supersymmetry and axino dark matter of mass GeV to TeV, which is typically overproduced in a conventional RD cosmology. If B is the higgsino, (h) over tilde, Higgs, W and Z particles appear at the displaced decays, (h) over tilde -> h (a) over tilde, Z (a) over tilde and (h) over tilde (+/-) W-+/-(a) over tilde. The scale of axion physics, f, is predicted to be in the range (3 x 10(8) - 10(12)) GeV and, over much of this range, can be extracted from the decay length. C1 [Co, Raymond T.] Univ Calif Berkeley, Dept Phys, Berkeley Ctr Theoret Phys, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Theoret Phys Grp, Berkeley, CA 94720 USA. RP Co, RT (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley Ctr Theoret Phys, Berkeley, CA 94720 USA. EM co@berkeley.edu; fderamo@ucsc.edu; ljhall@lbl.gov; duccio.pappadopulo@gmail.com OI D'Eramo, Francesco/0000-0001-8499-7685; Co, Raymond/0000-0002-8395-7056 FU Office of Science, Office of High Energy and Nuclear Physics, of the US Department of Energy [DE-AC02-05CH11231]; National Science Foundation [PHY-1002399, PHY-1316783]; Miller Institute for Basic Research in Science; National Science Foundation Graduate Research Fellowship [DGE 1106400] FX This work was supported in part by the Director, Office of Science, Office of High Energy and Nuclear Physics, of the US Department of Energy under Contract DE-AC02-05CH11231 and by the National Science Foundation under grants PHY-1002399 and PHY-1316783. F.D. is supported by the Miller Institute for Basic Research in Science. R.C. is supported by the National Science Foundation Graduate Research Fellowship under Grant No. DGE 1106400. NR 46 TC 6 Z9 6 U1 0 U2 0 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 DEC PY 2015 IS 12 AR 024 DI 10.1088/1475-7516/2015/12/024 PG 28 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA DA6AR UT WOS:000367884600024 ER PT J AU Gluscevic, V Gresham, MI McDermott, SD Peter, AHG Zurek, KM AF Gluscevic, Vera Gresham, Moira I. McDermott, Samuel D. Peter, Annika H. G. Zurek, Kathryn M. TI Identifying the theory of dark matter with direct detection SO JOURNAL OF COSMOLOGY AND ASTROPARTICLE PHYSICS LA English DT Article DE dark matter theory; dark matter simulations; dark matter experiments ID MODEL; PHYSICS AB Identifying the true theory of dark matter depends crucially on accurately characterizing interactions of dark matter (DM) with other species. In the context of DM direct detection, we present a study of the prospects for correctly identifying the low-energy effective DM-nucleus scattering operators connected to UV-complete models of DM-quark interactions. We take a census of plausible UV-complete interaction models with different low-energy leading-order DM-nuclear responses. For each model (corresponding to different spin, momentum, and velocity-dependent responses), we create a large number of realizations of recoil-energy spectra, and use Bayesian methods to investigate the probability that experiments will be able to select the correct scattering model within a broad set of competing scattering hypotheses. We conclude that agnostic analysis of a strong signal (such as Generation-2 would see if cross sections are just below the current limits) seen on xenon and germanium experiments is likely to correctly identify momentum dependence of the dominant response, ruling out models with either "heavy" or "light" mediators, and enabling down-selection of allowed models. However, a unique determination of the correct UV completion will critically depend on the availability of measurements from a wider variety of nuclear targets, including iodine or fluorine. We investigate how model-selection prospects depend on the energy window available for the analysis. In addition, we discuss accuracy of the DM particle mass determination under a wide variety of scattering models, and investigate impact of the specific types of particle-physics uncertainties on prospects for model selection. C1 [Gluscevic, Vera] Inst Adv Study, Sch Nat Sci, Princeton, NJ 08540 USA. [Gresham, Moira I.] Whitman Coll, Walla Walla, WA 99362 USA. [McDermott, Samuel D.] CN Yang Inst Theoret Phys, Stony Brook, NY 11794 USA. [Peter, Annika H. G.] Ohio State Univ, CCAPP, Columbus, OH 43210 USA. [Peter, Annika H. G.] Ohio State Univ, Dept Phys, Columbus, OH 43210 USA. [Peter, Annika H. G.] Ohio State Univ, Dept Astron, Columbus, OH 43210 USA. [Zurek, Kathryn M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Theoret Phys Grp, Berkeley, CA 94720 USA. [Zurek, Kathryn M.] Univ Calif Berkeley, Berkeley Ctr Theoret Phys, Berkeley, CA 94720 USA. RP Gluscevic, V (reprint author), Inst Adv Study, Sch Nat Sci, Einstein Dr, Princeton, NJ 08540 USA. EM verag@ias.edu; gresham@whitman.edu; samuel.mcdermott@stonybrook.edu; apeter@physics.osu.edu; kzurek@berkeley.edu OI Peter, Annika/0000-0002-8040-6785 FU Murdock Charitable Trust; Friends of the Institute for Advanced Study in Princeton; National Science Foundation [PHY-1066293]; NSF [PHY1316617]; DoE [DE-AC02-05CH11231] FX VG is grateful for the support provided by the Friends of the Institute for Advanced Study in Princeton. MG was supported in part by the Murdock Charitable Trust and some of her work was performed at the Aspen Center for Physics, which is supported by National Science Foundation grant PHY-1066293. SDM is supported by NSF PHY1316617. KZ is supported by the DoE under contract DE-AC02-05CH11231. The authors thank Timothy Morton, Mikhail Solon, and Hugh Lippincott for helpful discussions. NR 60 TC 6 Z9 6 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 DEC PY 2015 IS 12 AR 057 DI 10.1088/1475-7516/2015/12/057 PG 49 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA DA6AR UT WOS:000367884600057 ER PT J AU Gross, EJ Dosanjh, MRF Hattara, K AF Gross, E. J. Dosanjh, M. R. F. Hattara, K. TI MATERIALS ENGINEERING TETRAHEDRON ECONOMIC EVALUATION TOOL SO JOURNAL OF MATERIALS EDUCATION LA English DT Article DE Introduction to Materials Science; Materials Science Tetrahedron; Financial Analysis; Project Management ID RESEARCH-AND-DEVELOPMENT; MATERIALS SELECTION; DESIGN AB A new open-source project evaluation tool, entitled the Materials Engineering Tetrahedron (MET), has been developed to determine the economic viability of materials design, selection, processing, and validation costs associated with any infrastructure-based project. MET improves project design by providing an economic perspective to the traditional materials science tetrahedron, relating microstructure, processing, property, and performance through the introduction of value-based economic costs for each side of the tetrahedron. The resulting size and distortion, from a regular tetrahedron illustrates the balance between the system, component, or material fabrication project detailed. The MET model also allows for increased budget efficiency and the potential for improved identification of cost saving mechanisms. The use of financial tools, such MET, will aid engineering project management by providing easy and reliable metrics to compare projected costs versus desired outcomes. Expansion and use of these types of tools will reduce risks during the initial stages of project design. To illustrate the strength of MET, several example tetrahedra were generated demonstrating the various uses and applications of this new program. C1 [Gross, E. J.; Dosanjh, M. R. F.; Hattara, K.] Sandia Natl Labs, Dept Radiat Solid Interact, Albuquerque, NM 87185 USA. [Gross, E. J.] Univ Arizona, Eller Coll Management, Tucson, AZ 85721 USA. [Dosanjh, M. R. F.] New Mexico Inst Min & Technol, Dept Mat & Met Engn, Socorro, NM 87801 USA. RP Hattara, K (reprint author), Sandia Natl Labs, Dept Radiat Solid Interact, POB 5800, Albuquerque, NM 87185 USA. EM mel.dosanjh@alumni.nmt.edu; khattar@sandia.gov FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors would like to thank P. Hosemann, A. Kinghorn, P. Kotula, and N. Flor for their helpful discussion. 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 18 TC 0 Z9 0 U1 3 U2 6 PU INT COUNCIL MATERIALS EDUCATION PI DENTON PA UNIV N TEXAS, 1155 UNION CIRCLE #30510, DENTON, TX 76203-5017 USA SN 0738-7989 J9 J MATER EDUC JI J. Mat. Educ. PD DEC PY 2015 VL 37 IS 5-6 BP 219 EP 226 PG 8 WC Education, Scientific Disciplines; Materials Science, Multidisciplinary SC Education & Educational Research; Materials Science GA DB0PK UT WOS:000368209800003 ER PT J AU Thust, A Arinicheva, Y Haussuhl, E Ruiz-Fuertes, J Bayarjargal, L Vogel, SC Neumeier, S Winkler, B AF Thust, Anja Arinicheva, Yulia Haussuehl, Eiken Ruiz-Fuertes, Javier Bayarjargal, Lkhamsuren Vogel, Sven C. Neumeier, Stefan Winkler, Bjoern TI Physical Properties of La1-xEuxPO4,0 <= x <= 1, Monazite-Type Ceramics SO JOURNAL OF THE AMERICAN CERAMIC SOCIETY LA English DT Article ID TEMPERATURE HEAT-CAPACITY; LEVEL NUCLEAR-WASTE; MINOR ACTINIDES; THERMODYNAMIC FUNCTIONS; MECHANICAL-PROPERTIES; IMMOBILIZATION; GLASSES; FORMS; GD; PLUTONIUM AB Synthetic La1 - xEuxPO4 monazite-type ceramics with 0 <= x <= 1 have been characterized by ultrasound techniques, dilatometry, and micro-calorimetry. The coefficients of thermal expansion and the elastic properties are, to a good approximation, linearly dependent on the europium concentration. Elastic stiffness coefficients range from 182(1) to 202(1) GPa for c(11) and from 53.8(7) to 61.1(4) GPa for c(44). They are strongly dependent on the density of the sample. The coefficient of thermal expansion at 673 K is 8.4(3) x 10(-6) K-1 for LaPO4 and 9.9(3) x 10(-6) K-1 for EuPO4, respectively. The heat capacities at ambient temperature are between 101.6(8) J.(mol.K)(-1) for LaPO4 and 110.1(8) J.(mol.K)(-1) for EuPO4. The difference between the heat capacity of LaPO4O4 and the Eu-containing solid solutions is dominated by electronic transitions of the 4f-electrons at temperatures above 75 K. C1 [Thust, Anja; Haussuehl, Eiken; Ruiz-Fuertes, Javier; Bayarjargal, Lkhamsuren; Winkler, Bjoern] Goethe Univ Frankfurt, Inst Geowissensch, D-60438 Frankfurt, Germany. [Arinicheva, Yulia; Neumeier, Stefan] Forsch Zentrum Julich GmbH, Inst Energy & Climate Res Nucl Waste Management &, Julich, Germany. [Vogel, Sven C.] Los Alamos Natl Lab, Los Alamos Neutron Sci Ctr, Los Alamos, NM USA. RP Thust, A (reprint author), Goethe Univ Frankfurt, Inst Geowissensch, Altenhoferallee 1, D-60438 Frankfurt, Germany. EM thust@kristall.uni-frankfurt.de FU Federal Ministry of Education and Research (BMBF) [02NUK019E, 02NUK021F]; Alexander von Humboldt Foundation FX Financial support from the Federal Ministry of Education and Research (BMBF) under grants 02NUK019E and 02NUK021F is gratefully acknowledged. The authors would like to thank Igor Alencar, Johannes D. Bauer, Nadine Schrodt (nee Rademacher), Julia Heuser and Martina Klinkenberg for their helpful support. J.R.-F. thanks the Alexander von Humboldt Foundation for a postdoctoral fellowship. Furthermore, we acknowledge the group of Dirk Bosbach, especially Piotr Kowalski for fruitful discussions. NR 39 TC 8 Z9 8 U1 6 U2 14 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0002-7820 EI 1551-2916 J9 J AM CERAM SOC JI J. Am. Ceram. Soc. PD DEC PY 2015 VL 98 IS 12 BP 4016 EP 4021 DI 10.1111/jace.13841 PG 6 WC Materials Science, Ceramics SC Materials Science GA DA8SN UT WOS:000368076500063 ER PT J AU Bae, S Taylor, R Shapiro, D Denes, P Joseph, J Celestre, R Marchesini, S Padmore, H Tyliszczak, T Warwick, T Kilcoyne, D Levitz, P Monteiro, PJM AF Bae, Sungchul Taylor, Rae Shapiro, David Denes, Peter Joseph, John Celestre, Rich Marchesini, Stefano Padmore, Howard Tyliszczak, Tolek Warwick, Tony Kilcoyne, David Levitz, Pierre Monteiro, Paulo J. M. TI Soft X-ray Ptychographic Imaging and Morphological Quantification of Calcium Silicate Hydrates (C-S-H) SO JOURNAL OF THE AMERICAN CERAMIC SOCIETY LA English DT Article ID PORTLAND-CEMENT; TRICALCIUM SILICATE; PASTE; SCATTERING; MICROSTRUCTURE; MICROSCOPY; SURFACE AB Morphological details of calcium silicate hydrate (C-S-H) stemming from the hydration process of Portland cement (PC) phases are crucial for understanding the PC-based systems but are still only partially known. Here we introduce the first soft X-ray ptychographic imaging of tricalcium silicate (C3S) hydration products. The results are compared using both scanning transmission X-ray and electron transmission microscopy data. The evidence shows that ptychography is a powerful method to visualize the details of outer and inner product C-S-H of fully hydrated C3S, which have fibrillar and an interglobular structure with average void sizes of 20 nm, respectively. The high-resolution ptychrography image enables us to perform morphological quantification of C-S-H, and, for the first time, to possibly distinguish the contributions of inner and outer product C-S-H to the small angle scattering of cement paste. The results indicate that the outer product C-S-H is mainly responsible for the q(-3) regime, whereas the inner product C-S-H transitions to a q(-2) regime. Various hypotheses are discussed to explain these regimes. C1 [Bae, Sungchul; Taylor, Rae; Monteiro, Paulo J. M.] Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. [Bae, Sungchul] Tokyo Univ Sci, Fac Sci & Technol, Noda, Chiba 2788510, Japan. [Shapiro, David; Denes, Peter; Joseph, John; Celestre, Rich; Marchesini, Stefano; Padmore, Howard; Tyliszczak, Tolek; Warwick, Tony; Kilcoyne, David] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Levitz, Pierre] Univ Paris 06, CNRS, PHENIX Lab, F-75252 Paris, France. RP Bae, S (reprint author), Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. EM sungchul.bae@gmail.com RI Kilcoyne, David/I-1465-2013 FU Republic of Singapore's National Research Foundation; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231]; Center for Applied Mathematics for Energy Research Applications (CAMERA) FX This research is funded by the Republic of Singapore's National Research Foundation, through a grant to the Berkeley Education Alliance for Research in Singapore (BEARS), for the Singapore-Berkeley Building Efficiency and Sustainability in the Tropics (SinBerBEST) Program. 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. We acknowledge the support of ALS technical and safety staff and discussions with Drs. Janos Kirz and John Spence. This work is partially supported by the Center for Applied Mathematics for Energy Research Applications (CAMERA), which is a partnership between Basic Energy Sciences (BES) and Advanced Scientific Computing Research (ASRC) at the U.S Department of Energy. NR 22 TC 5 Z9 5 U1 6 U2 17 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0002-7820 EI 1551-2916 J9 J AM CERAM SOC JI J. Am. Ceram. Soc. PD DEC PY 2015 VL 98 IS 12 BP 4090 EP 4095 DI 10.1111/jace.13808 PG 6 WC Materials Science, Ceramics SC Materials Science GA DA8SN UT WOS:000368076500072 ER PT J AU Wozniakiewicz, PJ Ishii, HA Kearsley, AT Bradley, JP Price, MC Burchell, MJ Teslich, N Cole, MJ AF Wozniakiewicz, Penelope J. Ishii, Hope A. Kearsley, Anton T. Bradley, John P. Price, Mark. C. Burchell, Mark J. Teslich, Nick Cole, Mike J. TI The survivability of phyllosilicates and carbonates impacting Stardust Al foils: Facilitating the search for cometary water SO METEORITICS & PLANETARY SCIENCE LA English DT Article ID TRANSMISSION ELECTRON-MICROSCOPY; 280 LUNAR METEORITE; ALUMINUM FOILS; HYPERVELOCITY CAPTURE; INTERPLANETARY DUST; LABORATORY IMPACTS; SILICATE GRAINS; 81P/WILD-2 DUST; NATIVE SILICON; IRON SILICIDES AB Comet 81P/Wild 2 samples returned by NASA's Stardust mission provide an unequalled opportunity to study the contents of, and hence conditions and processes operating on, comets. They can potentially validate contentious interpretations of cometary infrared spectra and in situ mass spectrometry data: specifically the identification of phyllosilicates and carbonates. However, Wild 2 dust was collected via impact into capture media at similar to 6 km s(-1), leading to uncertainty as to whether these minerals were captured intact, and, if subjected to alteration, whether they remain recognizable. We simulated Stardust Al foil capture conditions using a two-stage light-gas gun, and directly compared transmission electron microscope analyses of pre- and postimpact samples to investigate survivability of lizardite and cronstedtite (phyllosilicates) and calcite (carbonate). We find the phyllosilicates do not survive impact as intact crystalline materials but as moderately to highly vesiculated amorphous residues lining resultant impact craters, whose bulk cation to Si ratios remain close to that of the impacting grain. Closer inspection reveals variation in these elements on a submicron scale, where impact-induced melting accompanied by reducing conditions (due to the production of oxygen scavenging molten Al from the target foils) has resulted in the production of native silicon and Fe-and Fe-Si-rich phases. In contrast, large areas of crystalline calcite are preserved within the calcite residue, with smaller regions of vesiculated, Al-bearing calcic glass. Unambiguous identification of calcite impactors on Stardust Al foil is therefore possible, while phyllosilicate impactors may be inferred from vesiculated residues with appropriate bulk cation to Si ratios. Finally, we demonstrate that the characteristic textures and elemental distributions identifying phyllosilicates and carbonates by transmission electron microscopy can also be observed by state-of-the-art scanning electron microscopy providing rapid, nondestructive initial mineral identifications in Stardust residues. C1 [Wozniakiewicz, Penelope J.; Kearsley, Anton T.; Price, Mark. C.; Burchell, Mark J.; Cole, Mike J.] Univ Kent, Ctr Astrophys & Planetary Sci, Sch Phys Sci, Canterbury CT2 7NH, Kent, England. [Wozniakiewicz, Penelope J.; Kearsley, Anton T.] Nat Hist Museum, IARC, Dept Earth Sci, London SW7 5BD, England. [Ishii, Hope A.; Bradley, John P.] Univ Hawaii Manoa, Hawaii Inst Geophys & Planetol, Honolulu, HI 96822 USA. [Teslich, Nick] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Wozniakiewicz, PJ (reprint author), Univ Kent, Ctr Astrophys & Planetary Sci, Sch Phys Sci, Canterbury CT2 7NH, Kent, England. EM pjw@kent.ac.uk OI Burchell, Mark/0000-0002-2680-8943 FU STFC; U.S. DOE by LLNL [DE-AC52-07NA27344]; [NASA NNH07AG46I]; [NNX14AH86G]; [LDRD 09-ERI-004] FX We thank Z. Gainsforth and the AE D. Brownlee for their helpful comments and suggestions during the review of this manuscript. We thank NASA for providing Al foils, STFC for support of the LGG. Parts of this work were performed under the auspices of the U.S. DOE by LLNL under Contract DE-AC52-07NA27344. This work was supported by grants NASA NNH07AG46I and NNX14AH86G to HAI & LDRD 09-ERI-004 to JPB. NR 89 TC 4 Z9 4 U1 0 U2 4 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1086-9379 EI 1945-5100 J9 METEORIT PLANET SCI JI Meteorit. Planet. Sci. PD DEC PY 2015 VL 50 IS 12 BP 2003 EP 2023 DI 10.1111/maps.12568 PG 21 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA DA7XJ UT WOS:000368018600004 ER PT J AU Wang, MM Liu, SS Wang, F Sun, B Zhou, JZ Yang, YF AF Wang, Mengmeng Liu, Shanshan Wang, Feng Sun, Bo Zhou, Jizhong Yang, Yunfeng TI Microbial responses to southward and northward Cambisol soil transplant SO MICROBIOLOGYOPEN LA English DT Article DE Cambisol soil; microbial diversity; microbial functional potential; soil transplant ID BACTERIAL COMMUNITIES; FUNCTIONAL DIVERSITY; CLIMATE-CHANGE; GRADIENT; GRASSLAND; FOREST; BIOGEOCHEMISTRY; MANIPULATION; PRAIRIE; REGIONS AB Soil transplant serves as a proxy to simulate climate changes. Recently, we have shown that southward transplant of black soil and northward transplant of red soil altered soil microbial communities and biogeochemical variables. However, fundamental differences in soil types have prevented direct comparison between southward and northward transplants. To tackle it, herein we report an analysis of microbial communities of Cambisol soil in an agriculture field after 4 years of adaptation to southward and northward soil transplants over large transects. Analysis of bare fallow soils revealed concurrent increase in microbial functional diversity and coarse-scale taxonomic diversity at both transplanted sites, as detected by GeoChip 3.0 and DGGE, respectively. Furthermore, a correlation between microbial functional diversity and taxonomic diversity was detected, which was masked in maize cropped soils. Mean annual temperature, soil moisture, and nitrate (NO3--N) showed strong correlations with microbial communities. In addition, abundances of ammonium-oxidizing genes (amoA) and denitrification genes were correlated with nitrification capacity and NO3--N contents, suggesting that microbial responses to soil transplant could alter microbe-mediated biogeochemical cycle at the ecosystem level. C1 [Wang, Mengmeng; Liu, Shanshan; Zhou, Jizhong; Yang, Yunfeng] Tsinghua Univ, Sch Environm, State Key Joint Lab Environm Simulat & Pollut Con, Beijing 100084, Peoples R China. [Wang, Mengmeng; Zhou, Jizhong] Tsinghua Univ, Collaborat Innovat Ctr Reg Environm Qual, Beijing 100084, Peoples R China. [Wang, Feng; Sun, Bo] Chinese Acad Sci, Inst Soil Sci, State Key Lab Soil & Sustainable Agr, Nanjing 210008, Jiangsu, Peoples R China. [Wang, Feng] Ningbo Acad Agr Sci, Ningbo 315040, Zhejiang, Peoples R China. [Zhou, Jizhong] Univ Oklahoma, Inst Environm Genom, Norman, OK 73019 USA. [Zhou, Jizhong] Univ Oklahoma, Dept Microbiol & Plant Sci, Norman, OK 73019 USA. [Zhou, Jizhong] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Yang, YF (reprint author), Tsinghua Univ, Sch Environm, State Key Joint Lab Environm Simulat & Pollut Con, Beijing 100084, Peoples R China. EM yangyf@tsinghua.edu.cn FU National Key Basic Research Program of China [2013CB956601]; National High Technology Research and Development Program of China [2012AA061401]; National Science Foundation of China [41171201, 41471202, 41530856, 41271258, 41430856]; Chinese Academy of Sciences [XDB15030200]; US Department of Energy [DE-SC0004601]; US National Science Foundation [EF-1065844] FX This research was supported by grants to Yunfeng Yang from the National Key Basic Research Program of China (2013CB956601), the National High Technology Research and Development Program of China (2012AA061401), and the National Science Foundation of China (41171201 and 41471202), to Bo Sun from the Strategic Priority Research Program (B) of the Chinese Academy of Sciences (XDB15030200) and the National Science Foundation of China (41530856 and 41271258), and to Jizhong Zhou from the National Science Foundation of China (41430856). The development of GeoChip and associated pipelines used in this study was supported by the US Department of Energy (DE-SC0004601) and the US National Science Foundation (EF-1065844) to Jizhong Zhou. NR 42 TC 1 Z9 1 U1 4 U2 14 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 2045-8827 J9 MICROBIOLOGYOPEN JI MicrobiologyOpen PD DEC PY 2015 VL 4 IS 6 BP 931 EP 940 DI 10.1002/mbo3.302 PG 10 WC Microbiology SC Microbiology GA DB3MI UT WOS:000368415300006 PM 26503228 ER PT J AU Agnello, A Treu, T Ostrovski, F Schechter, PL Buckley-Geer, EJ Lin, H Auger, MW Courbin, F Fassnacht, CD Frieman, J Kuropatkin, N Marshall, PJ McMahon, RG Meylan, G More, A Suyu, SH Rusu, CE Finley, D Abbott, T Abdalla, FB Allam, S Annis, J Banerji, M Benoit-Levy, A Bertin, E Brooks, D Burke, DL Rosell, AC Kind, MC Carretero, J Cunha, CE D'Andrea, CB da Costa, LN Desai, S Diehl, HT Dietrich, JP Doel, P Eifler, TF Estrada, J Neto, AF Flaugher, B Fosalba, P Gerdes, DW Gruen, D Gutierrez, G Honscheid, K James, DJ Kuehn, K Lahav, O Lima, M Maia, MAG March, M Marshall, JL Martini, P Melchior, P Miller, CJ Miquel, R Nichol, RC Ogando, R Plazas, AA Reil, K Romer, AK Roodman, A Sako, M Sanchez, E Santiago, B Scarpine, V Schubnell, M Sevilla-Noarbe, I Smith, RC Soares-Santos, M Sobreira, F Suchyta, E Swanson, MEC Tarle, G Thaler, J Tucker, D Walker, AR Wechsler, RH Zhang, Y AF Agnello, A. Treu, T. Ostrovski, F. Schechter, P. L. Buckley-Geer, E. J. Lin, H. Auger, M. W. Courbin, F. Fassnacht, C. D. Frieman, J. Kuropatkin, N. Marshall, P. J. McMahon, R. G. Meylan, G. More, A. Suyu, S. H. Rusu, C. E. Finley, D. Abbott, T. Abdalla, F. B. Allam, S. Annis, J. Banerji, M. Benoit-Levy, A. Bertin, E. Brooks, D. Burke, D. L. Carnero Rosell, A. Kind, M. Carrasco Carretero, J. Cunha, C. E. D'Andrea, C. B. da Costa, L. N. Desai, S. Diehl, H. T. Dietrich, J. P. Doel, P. Eifler, T. F. Estrada, J. Fausti Neto, A. Flaugher, B. Fosalba, P. Gerdes, D. W. Gruen, D. Gutierrez, G. Honscheid, K. James, D. J. Kuehn, K. Lahav, O. Lima, M. Maia, M. A. G. March, M. Marshall, J. L. Martini, P. Melchior, P. Miller, C. J. Miquel, R. Nichol, R. C. Ogando, R. Plazas, A. A. Reil, K. Romer, A. K. Roodman, A. Sako, M. Sanchez, E. Santiago, B. Scarpine, V. Schubnell, M. Sevilla-Noarbe, I. Smith, R. C. Soares-Santos, M. Sobreira, F. Suchyta, E. Swanson, M. E. C. Tarle, G. Thaler, J. Tucker, D. Walker, A. R. Wechsler, R. H. Zhang, Y. TI Discovery of two gravitationally lensed quasars in the Dark Energy Survey SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE gravitational lensing: strong; methods: observational; methods: statistical; quasars: emission lines ID BROAD-LINE REGION; TIME DELAYS; MATTER SUBSTRUCTURE; IMAGING SURVEYS; ACCRETION DISK; GALAXIES; FIELD; SELECTION; SEARCH AB We present spectroscopic confirmation of two new gravitationally lensed quasars, discovered in the Dark Energy Survey (DES) and Wide-field Infrared Survey Explorer (WISE) based on their multiband photometry and extended morphology in DES images. Images of DES J0115-5244 show a red galaxy with two blue point sources at either side, which are images of the same quasar at z(s) = 1.64 as obtained by our long-slit spectroscopic data. The Einstein radius estimated from the DES images is 0.51 arcsec. DES J2146-0047 is in the area of overlap between DES and the Sloan Digital Sky Survey (SDSS). Two blue components are visible in the DES and SDSS images. The SDSS fibre spectrum shows a quasar component at z(s) = 2.38 and absorption by Mg Pi and Fe Pi at z(1) = 0.799, which we tentatively associate with the foreground lens galaxy. Our long-slit spectra show that the blue components are resolved images of the same quasar. The Einstein radius is 0.68 arcsec, corresponding to an enclosed mass of 1.6 x 10(11) M-circle dot. Three other candidates were observed and rejected, two being low-redshift pairs of starburst galaxies, and one being a quasar behind a blue star. These first confirmation results provide an important empirical validation of the data mining and model-based selection that is being applied to the entire DES data set. C1 [Agnello, A.; Treu, T.] PAB, Dept Phys & Astron, Los Angeles, CA 90095 USA. [Ostrovski, F.; Auger, M. W.; McMahon, R. G.; Banerji, M.] Univ Cambridge, Inst Astron, Cambridge CB3 0HA, England. [Ostrovski, F.; McMahon, R. G.; Banerji, M.] Univ Cambridge, Kavli Inst Cosmol, Cambridge CB3 0HA, England. [Ostrovski, F.] Minist Educ Brazil, CAPES Fdn, BR-70040020 Brasilia, DF, Brazil. [Schechter, P. L.] MIT Kavli Inst Astrophys & Space Res, Cambridge, MA 02139 USA. [Buckley-Geer, E. J.; Lin, H.; Frieman, J.; Kuropatkin, N.; Finley, D.; Allam, S.; Annis, J.; Diehl, H. T.; Estrada, J.; Flaugher, B.; Gutierrez, G.; Scarpine, V.; Soares-Santos, M.; Sobreira, F.; Tucker, D.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Courbin, F.; Meylan, G.] EPFL, Astrophys Lab, Observ Sauverny, CH-1290 Versoix, Switzerland. [Fassnacht, C. D.; Rusu, C. E.] Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. [Marshall, P. J.; Burke, D. L.; Reil, K.; Roodman, A.; Wechsler, R. H.] Stanford Univ, Kavli Inst Particle Astrophys & Cosmol, Stanford, CA 94035 USA. [More, A.] Univ Tokyo, UTIAS, Kavli IPMU WPI, Kashiwa, Chiba 2778583, Japan. [Suyu, S. H.] Acad Sinica, Inst Astron & Astrophys, Taipei 10617, Taiwan. [Abbott, T.; James, D. J.; Smith, R. C.; Walker, A. R.] Cerro Tololo Interamer Observ, Natl Opt Astron Observ, La Serena, Chile. [Abdalla, F. B.; Benoit-Levy, A.; Brooks, D.; Doel, P.; Lahav, O.] UCL, Dept Phys & Astron, London WC1E 6BT, England. [Bertin, E.] Inst Astrophys, CNRS, UMR 7095, F-75014 Paris, France. [Bertin, E.] Univ Paris 06, Sorbonne Univ, Inst Astrophys Paris, UMR 7095, F-75014 Paris, France. [Burke, D. L.; Cunha, C. E.; Roodman, A.; Wechsler, R. H.] Stanford Univ, Kavli Inst Particle Astrophys & Cosmol, Stanford, CA 94305 USA. [Carnero Rosell, A.; da Costa, L. N.; Fausti Neto, A.; Lima, M.; Maia, M. A. G.; Ogando, R.; Santiago, B.; Sobreira, F.] Lab Interinst E Astron LIneA, BR-20921400 Rio De Janeiro, RJ, Brazil. [Carnero Rosell, A.; da Costa, L. N.; Maia, M. A. G.; Ogando, R.] Observ Nacl, BR-20921400 Rio De Janeiro, RJ, Brazil. [Kind, M. Carrasco; Sevilla-Noarbe, I.; Thaler, J.] Univ Illinois, Dept Astron, Urbana, IL 61801 USA. [Kind, M. Carrasco; Swanson, M. E. C.] Univ Illinois, Natl Ctr Supercomp Applicat, Urbana, IL 61801 USA. [Carretero, J.; Fosalba, P.] IEEC CSIC, Inst Ciencies Espai, E-08193 Barcelona, Spain. [Carretero, J.; Miquel, R.] Univ Autonoma Barcelona, Inst Fis Altes Energies, E-08193 Barcelona, Spain. [D'Andrea, C. B.; Nichol, R. C.] Univ Portsmouth, Inst Cosmol & Gravitat, Portsmouth PO1 3FX, Hants, England. [Desai, S.; Dietrich, J. P.] Excellence Cluster Universe, D-85748 Garching, Germany. [Desai, S.; Dietrich, J. P.] Univ Munich, Fac Phys, D-81679 Munich, Germany. [Eifler, T. F.; March, M.; Sako, M.] Univ Penn, Dept Phys & Astron, Philadelphia, PA 19104 USA. [Eifler, T. F.; Plazas, A. A.] CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. [Gerdes, D. W.; Miller, C. J.; Schubnell, M.; Tarle, G.; Zhang, Y.] Univ Michigan, Dept Phys, Ann Arbor, MI 48109 USA. [Gruen, D.] Univ Munich, Univ Sternwarte, Fak Phys, D-81679 Munich, Germany. [Gruen, D.] Max Planck Inst Extraterr Phys, D-85748 Garching, Germany. [Honscheid, K.; Martini, P.; Melchior, P.; Suchyta, E.] Ohio State Univ, Ctr Cosmol & Astroparticle Phys, Columbus, OH 43210 USA. [Honscheid, K.; Martini, P.; Melchior, P.; Suchyta, E.] Ohio State Univ, Dept Phys, Columbus, OH 43210 USA. [Kuehn, K.] Australian Astron Observ, N Ryde, NSW 2113, Australia. [Lima, M.] Univ Sao Paulo, Inst Fis, Dept Fis Matemat, BR-05314970 Sao Paulo, SP, Brazil. [Marshall, J. L.] Texas A&M Univ, George P & Cynthia Woods Mitchell Inst Fundamenta, College Stn, TX 77843 USA. [Marshall, J. L.] Texas A&M Univ, Dept Phys & Astron, College Stn, TX 77843 USA. [Miller, C. J.] Univ Michigan, Dept Astron, Ann Arbor, MI 48109 USA. [Miquel, R.] Inst Catalana Recerca & Estudis Avancats, E-08010 Barcelona, Spain. [Romer, A. K.] Univ Sussex, Dept Phys & Astron, Brighton BN1 9QH, E Sussex, England. [Sanchez, E.; Sevilla-Noarbe, I.] Ctr Invest Energet Medioambientales & Tecnol CIEM, E-28040 Madrid, Spain. [Santiago, B.] Univ Fed Rio Grande do Sul, Inst Fis, BR-91501970 Porto Alegre, RS, Brazil. [Wechsler, R. H.] Stanford Univ, Dept Phys, Stanford, CA 94305 USA. RP Agnello, A (reprint author), PAB, Dept Phys & Astron, 430 Portola Plaza,Box 951547, Los Angeles, CA 90095 USA. EM aagnello@astro.ucla.edu; tt@astro.ucla.edu RI Ogando, Ricardo/A-1747-2010; Lima, Marcos/E-8378-2010; Sanchez, Eusebio/H-5228-2015; Fosalba Vela, Pablo/I-5515-2016; Sobreira, Flavia/F-4168-2015; EPFL, Physics/O-6514-2016; OI Ogando, Ricardo/0000-0003-2120-1154; Sanchez, Eusebio/0000-0002-9646-8198; Sobreira, Flavia/0000-0002-7822-0658; Dietrich, Jorg/0000-0002-8134-9591; Carrasco Kind, Matias/0000-0002-4802-3194; McMahon, Richard/0000-0001-8447-8869; Abdalla, Filipe/0000-0003-2063-4345; Tucker, Douglas/0000-0001-7211-5729 FU NSF [AST-1312329, AST-1450141, AST-1138766, , ]; Packard Foundation through a Packard Research Fellowship; Ministry of Science and Technology in Taiwan [MOST-103- 2112-M-001-003-MY3]; Swiss National Science Foundation (SNSF); US Department of Energy [DE-AC02-76SF00515]; DOE; NSF (USA); MISE (Spain); STFC (UK); HEFCE (UK); NCSA (UIUC); KICP (U. Chicago); CCAPP (Ohio State); MIFPA (Texas AM); CNPQ; FAPERJ; FINEP (Brazil); MINECO (Spain); DFG (Germany); Collaborating Institutions in the Dark Energy Survey; MINECO [AYA2012-39559, ESP2013-48274, FPA2013-47986]; Centro de Excelencia Severo Ochoa [SEV-2012-0234]; ERC under the EU's 7th Framework Programme including grants ERC [240672, 291329, 306478] FX This Letter includes data gathered with the 6.5m Baade Telescopes located at Las Campanas Observatory, Chile. AA, TT, CDF and CER acknowledge support from NSF grants AST-1312329 and AST-1450141 'Collaborative Research: Accurate cosmology with strong gravitational lens time delays'. AA and TT gratefully acknowledge support by the Packard Foundation through a Packard Research Fellowship to TT. SHS acknowledges support from the Ministry of Science and Technology in Taiwan via grant MOST-103- 2112-M-001-003-MY3. FC and GM are supported by the Swiss National Science Foundation (SNSF). The work of PJM was supported by the US Department of Energy under contract number DE-AC02-76SF00515. We thank Tamara Davis, Cristina Furlanetto, Gary Bernstein and Tom Collett for useful comments on earlier versions of this Letter.; This Letter has gone through internal review by the DES collaboration. Funding for the DES Projects has been provided by the DOE and NSF (USA), MISE (Spain), STFC (UK), HEFCE (UK). NCSA (UIUC), KICP (U. Chicago), CCAPP (Ohio State), MIFPA (Texas A&M), CNPQ, FAPERJ, FINEP (Brazil), MINECO (Spain), DFG (Germany) and the Collaborating Institutions in the Dark Energy Survey. The Collaborating Institutions are Argonne Lab, UC Santa Cruz, University of Cambridge, CIEMAT-Madrid, University of Chicago, University College London, DES-Brazil Consortium, University of Edinburgh, ETH Zurich, Fermilab, University of Illinois, ICE (IEEC-CSIC), IFAE Barcelona, Lawrence Berkeley Lab, LMU Munchen and the associated Excellence Cluster Universe, University of Michigan, NOAO, University of Nottingham, Ohio State University, University of Pennsylvania, University of Portsmouth, SLAC National Lab, Stanford University, University of Sussex, and Texas A&M University. The DES Data Management System is supported by the NSF under grant number AST-1138766. The DES participants from Spanish institutions are partially supported by MINECO under grants AYA2012-39559, ESP2013-48274, FPA2013-47986 and Centro de Excelencia Severo Ochoa SEV-2012-0234. Research leading to these results has received funding from the ERC under the EU's 7th Framework Programme including grants ERC 240672, 291329 and 306478. NR 34 TC 5 Z9 5 U1 0 U2 7 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0035-8711 EI 1365-2966 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD DEC 1 PY 2015 VL 454 IS 2 BP 1260 EP 1265 DI 10.1093/mnras/stv2171 PG 6 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA DA7PZ UT WOS:000367997700007 ER PT J AU Graham, ML Nugent, PE Sullivan, M Filippenko, AV Cenko, SB Silverman, JM Clubb, KI Zheng, W AF Graham, M. L. Nugent, P. E. Sullivan, M. Filippenko, A. V. Cenko, S. B. Silverman, J. M. Clubb, K. I. Zheng, W. TI Constraining the progenitor companion of the nearby Type Ia SN 2011fe with a nebular spectrum at+981 d SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE supernovae: general; supernovae: individual: SN 2011fe ID SINGLE-DEGENERATE SCENARIO; SUPERNOVA EXPLOSIONS; STAR; SPECTROSCOPY; TELESCOPE; EVOLUTION; HELIUM; SUBTRACTION; ENVIRONMENT; HYDROGEN AB We present an optical nebular spectrum of the nearby Type Ia supernova 2011fe, obtained 981 d after explosion. SN 2011fe exhibits little evolution since the +593 d optical spectrum, but there are several curious aspects in this new extremely late-time regime. We suggest that the persistence of the similar to 5800 angstrom feature is due to NaD, and that a new emission feature at similar to 7300 angstrom may be [Ca II]. Also, we discuss whether the new emission feature at similar to 6400 angstrom might be [Fe I] or the high-velocity hydrogen predicted by Mazzali et al. The nebular feature at 5200 angstrom exhibits linear velocity evolution of similar to 350 km s(-1) per 100 d from at least +220 to +980 d, but the line's shape also changes in this time, suggesting that line blending contributes to the evolution. At similar to 1000 d after explosion, flux from the SN has declined to a point where contribution from a luminous secondary could be detected. In this work, we make the first observational tests for a post-impact remnant star and constrain its temperature and luminosity to T greater than or similar to 10(4) K and L less than or similar to 10(4) L. Additionally, we do not see any evidence for narrow H alpha emission in our spectrum. We conclude that observations continue to strongly exclude many single-degenerate scenarios for SN 2011fe. C1 [Graham, M. L.; Nugent, P. E.; Filippenko, A. V.; Clubb, K. I.; Zheng, W.] Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. [Nugent, P. E.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Sullivan, M.] Univ Southampton, Dept Phys & Astron, Southampton SO17 1BJ, Hants, England. [Cenko, S. B.] NASA, Goddard Space Flight Ctr, Astrophys Sci Div, Greenbelt, MD 20771 USA. [Cenko, S. B.] Univ Maryland, Joint Space Sci Inst, College Pk, MD 20742 USA. [Silverman, J. M.] Univ Texas Austin, Dept Astron, Austin, TX 78712 USA. RP Graham, ML (reprint author), Univ Calif Berkeley, Dept Astron, 601 Campbell Hall, Berkeley, CA 94720 USA. EM melissalynngraham@gmail.com OI Sullivan, Mark/0000-0001-9053-4820 FU Google; W. M. Keck Foundation; Gary & Cynthia Bengier; Richard & Rhoda Goldman Fund; Christopher R. Redlich Fund; TABASGO Foundation; National Science Foundation (NSF) [AST-1211916]; Royal Society; NSF Astronomy and Astrophysics Postdoctoral Fellowship [AST-1302771] FX Based on observations from the Low Resolution Imaging Spectrometer at the Keck-1 telescope, the DEep Imaging Multi-Object Spectrograph at the Keck-2 telescope, and the Kast spectrograph on the 3-m Shane telescope. We thank the staff at the Lick and Keck Observatories for their assistance, Ori D. Fox for participating in the observations, and Peter Lundqvist, Josh Simon, and Ben Shappee for helpful correspondence. Research at Lick Observatory is partially supported by Google. The W. M. Keck Observatory is operated as a scientific partnership among the California Institute of Technology, the University of California, and NASA; it was made possible by the generous financial support of the W. M. Keck Foundation. We wish to extend special thanks to those of Hawaiian ancestry on whose sacred mountain we are privileged to be guests. The supernova research of AVF's group at U.C. Berkeley is supported by Gary & Cynthia Bengier, the Richard & Rhoda Goldman Fund, the Christopher R. Redlich Fund, the TABASGO Foundation, and National Science Foundation (NSF) grant AST-1211916. MS acknowledges support from the Royal Society. JMS is supported by an NSF Astronomy and Astrophysics Postdoctoral Fellowship under award AST-1302771. NR 55 TC 8 Z9 8 U1 0 U2 1 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0035-8711 EI 1365-2966 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD DEC 1 PY 2015 VL 454 IS 2 BP 1948 EP 1957 DI 10.1093/mnras/stv1888 PG 10 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA DA7PZ UT WOS:000367997700061 ER PT J AU Tsuji, P Tuminaro, R AF Tsuji, P. Tuminaro, R. TI Augmented AMG-shifted Laplacian preconditioners for indefinite Helmholtz problems SO NUMERICAL LINEAR ALGEBRA WITH APPLICATIONS LA English DT Article DE acoustic waves; time-harmonic; frequency domain; shifted Laplacian; perfectly matched layers; structural dynamics ID PERFECTLY MATCHED LAYERS; SWEEPING PRECONDITIONER; EQUATION AB Discrete representations of the Helmholtz operator generally give rise to extremely difficult linear systems from an iterative solver perspective. This is due in part to the large oscillatory near null space of the linear system. Typical iterative methods do not effectively reduce error components in the subspace associated with this near null space. Traditional coarse grids used within multilevel solvers also cannot capture these components because of their oscillatory nature. While the shifted Laplacian is a popular method allowing multigrid preconditioners to achieve improved convergence, it is still unsatisfactory for higher-frequency problems. This paper analyzes the shifted Laplacian through polynomial smoothers to show its effect on the spectrum of the discrete Helmholtz operator. This analysis reveals desirable features of the shifted Laplacian preconditioners as well as limitations. Shifted Laplacian techniques are first extended to smoothed aggregation algebraic multigrid. Motivated by analysis, we propose augmenting the algebraic multigrid shifted Laplacian with a two-grid error correction step. This additional step consists of the generalized minimal residual iterations applied to a projected version of the unshifted equations on a single auxiliary coarse grid. Results indicate that augmentation can improve the convergence significantly and can reduce the overall solve time on two-dimensional and three-dimensional problems. Copyright (C) 2015 John Wiley & Sons, Ltd. C1 [Tsuji, P.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Tuminaro, R.] Sandia Natl Labs, Livermore, CA 94551 USA. RP Tsuji, P (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. EM tsuji1@llnl.gov FU US Department of Energy [DE-AC04-94-AL85000]; US Department of Energy, Office of Science, Office of Advanced Scientific Computing Research, Applied Mathematics program FX Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the US Department of Energy under contract DE-AC04-94-AL85000. Part of this material is based upon work supported by the US Department of Energy, Office of Science, Office of Advanced Scientific Computing Research, Applied Mathematics program. NR 28 TC 1 Z9 1 U1 0 U2 1 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1070-5325 EI 1099-1506 J9 NUMER LINEAR ALGEBR JI Numer. Linear Algebr. Appl. PD DEC PY 2015 VL 22 IS 6 SI SI BP 1077 EP 1101 DI 10.1002/nla.1997 PG 25 WC Mathematics, Applied; Mathematics SC Mathematics GA DB2WO UT WOS:000368371500011 ER PT J AU Hlavacek, WS Gnanakaran, S Munsky, B Wall, ME Faeder, JR Jiang, Y Nemenman, I Resnekov, O AF Hlavacek, William S. Gnanakaran, S. Munsky, Brian Wall, Michael E. Faeder, James R. Jiang, Yi Nemenman, Ilya Resnekov, Orna TI The eighth q-bio conference: meeting report and special issue preface SO PHYSICAL BIOLOGY LA English DT Editorial Material C1 [Hlavacek, William S.; Gnanakaran, S.; Munsky, Brian; Wall, Michael E.] New Mexico Consortium, Los Alamos, NM 87544 USA. [Hlavacek, William S.; Gnanakaran, S.] Los Alamos Natl Lab, Theoret Biol & Biophys Grp, Div Theoret, Los Alamos, NM 87545 USA. [Hlavacek, William S.; Gnanakaran, S.; Munsky, Brian] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. [Munsky, Brian; Wall, Michael E.] Los Alamos Natl Lab, Informat Sci Grp, Comp Computat & Stat Sci Div, Los Alamos, NM 87545 USA. [Faeder, James R.] Univ Pittsburgh, Sch Med, Dept Computat & Syst Biol, Pittsburgh, PA 15213 USA. [Jiang, Yi] Georgia State Univ, Dept Math & Stat, Atlanta, GA 30303 USA. [Nemenman, Ilya] Emory Univ, Dept Phys, Atlanta, GA 30322 USA. [Nemenman, Ilya] Emory Univ, Dept Biol, Atlanta, GA 30322 USA. RP Hlavacek, WS (reprint author), New Mexico Consortium, Los Alamos, NM 87544 USA. OI Gnanakaran, S/0000-0002-9368-3044; Alexandrov, Ludmil/0000-0003-3596-4515; Hlavacek, William/0000-0003-4383-8711 FU NIGMS NIH HHS [R25 GM105608, R25GM105608-02] NR 12 TC 0 Z9 0 U1 1 U2 4 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1478-3967 EI 1478-3975 J9 PHYS BIOL JI Phys. Biol. PD DEC PY 2015 VL 12 IS 6 AR 060401 DI 10.1088/1478-3975/12/6/060401 PG 3 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA DB0GJ UT WOS:000368186300001 PM 26716953 ER PT J AU Eudes, A Sathitsuksanoh, N Baidoo, EEK George, A Liang, Y Yang, F Singh, S Keasling, JD Simmons, BA Loque, D AF Eudes, Aymerick Sathitsuksanoh, Noppadon Baidoo, Edward E. K. George, Anthe Liang, Yan Yang, Fan Singh, Seema Keasling, Jay D. Simmons, Blake A. Loque, Dominique TI Expression of a bacterial 3-dehydroshikimate dehydratase reduces lignin content and improves biomass saccharification efficiency SO PLANT BIOTECHNOLOGY JOURNAL LA English DT Article DE cell wall; lignin; QsuB; saccharification; lignin polymerization degree; bioenergy ID HETEROLOGOUS EXPRESSION; ARABIDOPSIS-THALIANA; CHEMICAL-COMPOSITION; ACID BIOSYNTHESIS; ESCHERICHIA-COLI; NMR-SPECTROSCOPY; DOWN-REGULATION; PLANTS; SHIKIMATE; CELL AB Lignin confers recalcitrance to plant biomass used as feedstocks in agro-processing industries or as source of renewable sugars for the production of bioproducts. The metabolic steps for the synthesis of lignin building blocks belong to the shikimate and phenylpropanoid pathways. Genetic engineering efforts to reduce lignin content typically employ gene knockout or gene silencing techniques to constitutively repress one of these metabolic pathways. Recently, new strategies have emerged offering better spatiotemporal control of lignin deposition, including the expression of enzymes that interfere with the normal process for cell wall lignification. In this study, we report that expression of a 3-dehydroshikimate dehydratase (QsuB from Corynebacterium glutamicum) reduces lignin deposition in Arabidopsis cell walls. QsuB was targeted to the plastids to convert 3-dehydroshikimate - an intermediate of the shikimate pathway - into protocatechuate. Compared to wild-type plants, lines expressing QsuB contain higher amounts of protocatechuate, p-coumarate, p-coumaraldehyde and p-coumaryl alcohol, and lower amounts of coniferaldehyde, coniferyl alcohol, sinapaldehyde and sinapyl alcohol. 2D-NMR spectroscopy and pyrolysis-gas chromatography/mass spectrometry (pyro-GC/MS) reveal an increase of p-hydroxyphenyl units and a reduction of guaiacyl units in the lignin of QsuB lines. Size-exclusion chromatography indicates a lower degree of lignin polymerization in the transgenic lines. Therefore, our data show that the expression of QsuB primarily affects the lignin biosynthetic pathway. Finally, biomass from these lines exhibits more than a twofold improvement in saccharification efficiency. We conclude that the expression of QsuB in plants, in combination with specific promoters, is a promising gain-of-function strategy for spatiotemporal reduction of lignin in plant biomass. C1 [Eudes, Aymerick; Sathitsuksanoh, Noppadon; Baidoo, Edward E. K.; George, Anthe; Liang, Yan; Yang, Fan; Singh, Seema; Keasling, Jay D.; Simmons, Blake A.; Loque, Dominique] Joint BioEnergy Inst, Emeryville, CA 94608 USA. [Eudes, Aymerick; Baidoo, Edward E. K.; Liang, Yan; Yang, Fan; Keasling, Jay D.; Loque, Dominique] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Sathitsuksanoh, Noppadon; George, Anthe; Singh, Seema; Simmons, Blake A.] Sandia Natl Labs, Livermore, CA USA. [Keasling, Jay D.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Dept Bioengn, Berkeley, CA 94720 USA. RP Loque, D (reprint author), Joint BioEnergy Inst, Emeryville, CA 94608 USA. EM dloque@lbl.gov RI Liang, Yan/K-8199-2016; OI Liang, Yan/0000-0002-2144-1388; Simmons, Blake/0000-0002-1332-1810 FU U. S. Department of Energy, Office of Science, Office of Biological and Environmental Research [DE-AC02-05CH11231] FX The authors thank George Wang for technical support with the metabolite analyses, Peter Benke for developing LC-MS analytical methods, Sabin Russell for editing this manuscript and Novozymes for providing Cellic CTec2 and HTec2. This work was part of the DOE Joint BioEnergy Institute (http://www.jbei.org) supported by the U. S. Department of Energy, Office of Science, Office of Biological and Environmental Research, through contract DE-AC02-05CH11231 between Lawrence Berkeley National Laboratory and the U.S. Department of Energy. NR 58 TC 7 Z9 8 U1 2 U2 13 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1467-7644 EI 1467-7652 J9 PLANT BIOTECHNOL J JI Plant Biotechnol. J. PD DEC PY 2015 VL 13 IS 9 BP 1241 EP 1250 DI 10.1111/pbi.12310 PG 10 WC Biotechnology & Applied Microbiology; Plant Sciences SC Biotechnology & Applied Microbiology; Plant Sciences GA DB1RX UT WOS:000368287600004 PM 25583257 ER PT J AU Sawake, S Tajima, N Mortimer, JC Lao, J Ishikawa, T Yu, XL Yamanashi, Y Yoshimi, Y Kawai-Yamada, M Dupree, P Tsumuraya, Y Kotake, T AF Sawake, Shota Tajima, Noriaki Mortimer, Jenny C. Lao, Jeemeng Ishikawa, Toshiki Yu, Xiaolan Yamanashi, Yukiko Yoshimi, Yoshihisa Kawai-Yamada, Maki Dupree, Paul Tsumuraya, Yoichi Kotake, Toshihisa TI KONJAC1 and 2 Are Key Factors for GDP-Mannose Generation and Affect L-Ascorbic Acid and Glucomannan Biosynthesis in Arabidopsis SO PLANT CELL LA English DT Article ID UDP-SUGAR PYROPHOSPHORYLASE; L-GALACTOSE PHOSPHORYLASE; VITAMIN-C; BIFUNCTIONAL ENZYME; NUCLEOTIDE SUGARS; PLANTS; THALIANA; SYNTHASE; PURIFICATION; GENETICS AB Humans are unable to synthesize L-ascorbic acid (AsA), yet it is required as a cofactor in many critical biochemical reactions. The majority of human dietary AsA is obtained from plants. In Arabidopsis thaliana, a GDP-mannose pyrophosphorylase (GMPP), VITAMIN C DEFECTIVE1 (VTC1), catalyzes a rate-limiting step in AsA synthesis: the formation of GDP-Man. In this study, we identified two nucleotide sugar pyrophosphorylase-like proteins, KONJAC1 (KJC1) and KJC2, which stimulate the activity of VTC1. The kjc1kjc2 double mutant exhibited severe dwarfism, indicating that KJC proteins are important for growth and development. The kjc1 mutation reduced GMPP activity to 10% of wild-type levels, leading to a 60% reduction in AsA levels. On the contrary, overexpression of KJC1 significantly increased GMPP activity. The kjc1 and kjc1kjc2 mutants also exhibited significantly reduced levels of glucomannan, which is also synthesized from GDP-Man. Recombinant KJC1 and KJC2 enhanced the GMPP activity of recombinant VTC1 in vitro, while KJCs did not show GMPP activity. Yeast two-hybrid assays suggested that the stimulation of GMPP activity occurs via interaction of KJCs with VTC1. These results suggest that KJCs are key factors for the generation of GDP-Man and affect AsA level and glucomannan accumulation through the stimulation of VTC1 GMPP activity. C1 [Sawake, Shota; Tajima, Noriaki; Ishikawa, Toshiki; Yamanashi, Yukiko; Yoshimi, Yoshihisa; Kawai-Yamada, Maki; Tsumuraya, Yoichi; Kotake, Toshihisa] Saitama Univ, Grad Sch Sci & Engn, Saitama 3388570, Japan. [Mortimer, Jenny C.; Yu, Xiaolan; Dupree, Paul; Kotake, Toshihisa] Univ Cambridge, Dept Biochem, Cambridge CB2 1QW, England. [Mortimer, Jenny C.] RIKEN, Ctr Sustainable Resource Sci, Cooperat Div, Biomass Engn Program, Yokohama, Kanagawa 2300045, Japan. [Mortimer, Jenny C.; Lao, Jeemeng] Joint Bioenergy Inst, Emeryville, CA 94608 USA. RP Kotake, T (reprint author), Saitama Univ, Grad Sch Sci & Engn, Saitama 3388570, Japan. EM kotake@mail.saitama-u.ac.jp RI Kotake, Toshihisa/F-1117-2011; Yoshimi, Yoshihisa/F-3440-2017; OI Kotake, Toshihisa/0000-0002-1110-5006; Mortimer, Jenny/0000-0001-6624-636X; Yoshimi, Yoshihisa/0000-0002-6734-6677; Dupree, Paul/0000-0001-9270-6286 FU Japan Society of the Promotion of Science [22770030]; Ministry of Education, Culture, Sports, Science, and Technology of Japan [24114006]; BBSRC Sustainable Bioenergy Centre: Cell wall sugars programme [BB/G016240/1]; RIKEN Foreign Postdoctoral Research program; Office of Science, Office of Biological and Environmental Research of the U.S. Department of Energy [DE-AC02-05CH11231] FX We thank O. Kosik (Rothamsted Research, UK) for valuable discussion on NDP-sugar analysis. This work was financially supported in part by a Grant-in-Aid for Scientific Research to T.K. (22770030) from the Japan Society of the Promotion of Science, and by Grant-in-Aid for Scientific Research (24114006) to Y.T. and T.K. from the Ministry of Education, Culture, Sports, Science, and Technology of Japan. Support was also provided by the BBSRC Sustainable Bioenergy Centre: Cell wall sugars programme to P.D. (Grant BB/G016240/1) and by the RIKEN Foreign Postdoctoral Research program to J.C.M. J.C.M.'s work at the Joint BioEnergy Institute was supported by the Office of Science, Office of Biological and Environmental Research of the U.S. Department of Energy under Contract DE-AC02-05CH11231. NR 64 TC 3 Z9 4 U1 3 U2 14 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 DEC PY 2015 VL 27 IS 12 BP 3397 EP 3409 DI 10.1105/tpc.15.00379 PG 13 WC Biochemistry & Molecular Biology; Plant Sciences; Cell Biology SC Biochemistry & Molecular Biology; Plant Sciences; Cell Biology GA DB1VM UT WOS:000368297100010 PM 26672069 ER PT J AU Blaby, IK Blaby-Haas, CE Perez-Perez, ME Schmollinger, S Fitz-Gibbon, S Lemaire, SD Merchant, SS AF Blaby, Ian K. Blaby-Haas, Crysten E. Perez-Perez, Maria Esther Schmollinger, Stefan Fitz-Gibbon, Sorel Lemaire, Stephane D. Merchant, Sabeeha S. TI Genome-wide analysis on Chlamydomonas reinhardtii reveals the impact of hydrogen peroxide on protein stress responses and overlap with other stress transcriptomes SO PLANT JOURNAL LA English DT Article DE H2O2; oxidative stress; stress responses; redox signaling; reactive oxygen species; RNA-seq ID INDUCED GENE-EXPRESSION; OXIDATIVE STRESS; ARABIDOPSIS-THALIANA; ESCHERICHIA-COLI; OXIDIZED PROTEINS; BINDING PROTEIN; SINGLET OXYGEN; 20S PROTEASOME; LEVEL ANALYSIS; PLANT LINEAGE AB Reactive oxygen species (ROS) are produced by and have the potential to be damaging to all aerobic organisms. In photosynthetic organisms, they are an unavoidable byproduct of electron transfer in both the chloroplast and mitochondrion. Here, we employ the reference unicellular green alga Chlamydomonas reinhardtii to identify the effect of H2O2 on gene expression by monitoring the changes in the transcriptome in a time-course experiment. Comparison of transcriptomes from cells sampled immediately prior to the addition of H2O2 and 0.5 and 1 h subsequently revealed 1278 differentially abundant transcripts. Of those transcripts that increase in abundance, many encode proteins involved in ROS detoxification, protein degradation and stress responses, whereas among those that decrease are transcripts encoding proteins involved in photosynthesis and central carbon metabolism. In addition to these transcriptomic adjustments, we observe that addition of H2O2 is followed by an accumulation and oxidation of the total intracellular glutathione pool, and a decrease in photosynthetic O-2 output. Additionally, we analyze our transcriptomes in the context of changes in transcript abundance in response to singlet O-2 (O-2*), and relate our H2O2-induced transcripts to a diurnal transcriptome, where we demonstrate enrichments of H2O2-induced transcripts early in the light phase, late in the light phase and 2 h prior to light. On this basis several genes that are highlighted in this work may be involved in previously undiscovered stress remediation pathways or acclimation responses. C1 [Blaby, Ian K.; Blaby-Haas, Crysten E.; Schmollinger, Stefan; Merchant, Sabeeha S.] Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA. [Perez-Perez, Maria Esther; Lemaire, Stephane D.] Univ Paris 06, Sorbonne Univ, CNRS,UMR8226, Inst Biol Physicochim,Lab Biol Mol & Cellulaire E, F-75005 Paris, France. [Fitz-Gibbon, Sorel; Merchant, Sabeeha S.] Univ Calif Los Angeles, Inst Genom & Prote, Los Angeles, CA 90095 USA. RP Blaby, IK (reprint author), Brookhaven Natl Lab, Dept Biol, 50 Bell Ave,Bldg 463, Upton, NY 11973 USA. EM iblaby@bnl.gov RI Lemaire, Stephane/A-3530-2008; Perez Perez, Maria Esther/P-5892-2014; OI Perez Perez, Maria Esther/0000-0003-0779-6665; Blaby, Crysten/0000-0002-1583-1291 FU Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences of the US Department of Energy [DE-FD02-04ER15529]; National Institutes of Health (NIH) [R24 GM092473]; Agence Nationale de la Recherche Grant CYNTHIOL [ANR-12-BSV6-0011]; LABEX DYNAMO [ANR-11-LABX-0011]; National Institutes of Health [T32ES015457, GM100753]; Office of Biological and Environmental Research of the Department Of Energy; IEF EU Marie Curie Fellowship [PIEF-GA-2011-298652-REDOXDYNAMICS] FX This work was supported by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences of the US Department of Energy (DE-FD02-04ER15529) and by the National Institutes of Health (NIH) R24 GM092473 to SM. This work was also supported in part by Agence Nationale de la Recherche Grant CYNTHIOL ANR-12-BSV6-0011 and LABEX DYNAMO ANR-11-LABX-0011 (to SDL). IKB and CB-H were supported by training grants from the National Institutes of Health (T32ES015457 and GM100753 respectively) and by the Office of Biological and Environmental Research of the Department Of Energy. MEP-P was supported by an IEF EU Marie Curie Fellowship (PIEF-GA-2011-298652-REDOXDYNAMICS). We are grateful to M. Dudley Page for help with gene curation. NR 74 TC 0 Z9 0 U1 5 U2 19 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0960-7412 EI 1365-313X J9 PLANT J JI Plant J. PD DEC PY 2015 VL 84 IS 5 BP 974 EP 988 DI 10.1111/tpj.13053 PG 15 WC Plant Sciences SC Plant Sciences GA DB1KU UT WOS:000368267900011 PM 26473430 ER PT J AU Warakanont, J Tsai, CH Michel, EJS Murphy, GR Hsueh, PY Roston, RL Sears, BB Benning, C AF Warakanont, Jaruswan Tsai, Chia-Hong Michel, Elena J. S. Murphy, George R., III Hsueh, Peter Y. Roston, Rebecca L. Sears, Barbara B. Benning, Christoph TI Chloroplast lipid transfer processes in Chlamydomonas reinhardtii involving a TRIGALACTOSYLDIACYLGLYCEROL 2 (TGD2) orthologue SO PLANT JOURNAL LA English DT Article DE lipid metabolism; Chlamydomonas reinhardtii; chloroplast lipids; membranes; lipid transport ID PSEUDOMONAS-PUTIDA S12; ACID-BINDING-PROTEIN; PHOSPHATIDIC-ACID; ENDOPLASMIC-RETICULUM; GLYCEROL-3-PHOSPHATE ACYLTRANSFERASE; DIACYLGLYCEROL ACYLTRANSFERASE; PLANT-CELLS; FATTY-ACIDS; ARABIDOPSIS; TRAFFICKING AB In plants, lipids of the photosynthetic membrane are synthesized by parallel pathways associated with the endoplasmic reticulum (ER) and the chloroplast envelope membranes. Lipids derived from the two pathways are distinguished by their acyl-constituents. Following this plant paradigm, the prevalent acyl composition of chloroplast lipids suggests that Chlamydomonas reinhardtii (Chlamydomonas) does not use the ER pathway; however, the Chlamydomonas genome encodes presumed plant orthologues of a chloroplast lipid transporter consisting of TGD (TRIGALACTOSYLDIACYLGLYCEROL) proteins that are required for ER-to-chloroplast lipid trafficking in plants. To resolve this conundrum, we identified a mutant of Chlamydomonas deleted in the TGD2 gene and characterized the respective protein, CrTGD2. Notably, the viability of the mutant was reduced, showing the importance of CrTGD2. Galactoglycerolipid metabolism was altered in the tgd2 mutant with monogalactosyldiacylglycerol (MGDG) synthase activity being strongly stimulated. We hypothesize this to be a result of phosphatidic acid accumulation in the chloroplast outer envelope membrane, the location of MGDG synthase in Chlamydomonas. Concomitantly, increased conversion of MGDG into triacylglycerol (TAG) was observed. This TAG accumulated in lipid droplets in the tgd2 mutant under normal growth conditions. Labeling kinetics indicate that Chlamydomonas can import lipid precursors from the ER, a process that is impaired in the tgd2 mutant. C1 [Warakanont, Jaruswan; Tsai, Chia-Hong; Michel, Elena J. S.; Sears, Barbara B.] Michigan State Univ, Dept Plant Biol, E Lansing, MI 48824 USA. [Warakanont, Jaruswan; Tsai, Chia-Hong; Sears, Barbara B.; Benning, Christoph] Michigan State Univ, MSU DOE Plant Res Lab, E Lansing, MI 48824 USA. [Murphy, George R., III; Hsueh, Peter Y.; Roston, Rebecca L.; Benning, Christoph] Michigan State Univ, Dept Biochem & Mol Biol, E Lansing, MI 48824 USA. RP Benning, C (reprint author), Michigan State Univ, MSU DOE Plant Res Lab, E Lansing, MI 48824 USA. EM benning@msu.edu OI Roston, Rebecca/0000-0002-3063-5002 FU Royal Thai Government Scholarship; US NSF [MCB 1157231]; US AFOSR [FA9550-11-1-0264]; MSU Foundation; MSU AgBioResearch FX We are grateful to Dr Simone Zauner and Dr Yang Yang for valuable discussions. We would like to thank Dr Likit Preeyanon for helping with de novo genome assembly and Alicia Pastor for helping with electron microscopy. We thank Tomomi Takeuchi and Dr Shin-Han Shiu for helping with the construction of the phylogenetic tree. We thank Dr Setsuko Wakao and Dr John Froehlich for valuable suggestions for subcellular fractionation and the protease protection assay, respectively. We appreciate Dr Pawin Ittisamai for taking photographs in Figure 2a. JW has been supported by a Royal Thai Government Scholarship. This work was supported in part by grants to CB from the US NSF (MCB 1157231), the US AFOSR (FA9550-11-1-0264), by a Strategic Partnership grant from the MSU Foundation, and by MSU AgBioResearch. NR 66 TC 2 Z9 2 U1 6 U2 21 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0960-7412 EI 1365-313X J9 PLANT J JI Plant J. PD DEC PY 2015 VL 84 IS 5 BP 1005 EP 1020 DI 10.1111/tpj.13060 PG 16 WC Plant Sciences SC Plant Sciences GA DB1KU UT WOS:000368267900013 PM 26496373 ER PT J AU Imam, S Schauble, S Valenzuela, J de Lomana, ALG Carter, W Price, ND Baliga, NS AF Imam, Saheed Schaeuble, Sascha Valenzuela, Jacob de Lomana, Adrian Lopez Garcia Carter, Warren Price, Nathan D. Baliga, Nitin S. TI A refined genome-scale reconstruction of Chlamydomonas metabolism provides a platform for systems-level analyses SO PLANT JOURNAL LA English DT Article DE metabolic modeling; Chlamydomonas reinhardtii; constraint-based analysis; flux balance analysis; systems biology; lipid accumulation; photosynthesis ID NITROGEN STARVATION; ESCHERICHIA-COLI; AMMONIUM ASSIMILATION; OXIDATIVE STRESS; MODEL ORGANISM; ATP SYNTHASE; NITRIC-OXIDE; REINHARDTII; DEPRIVATION; BIOLOGY AB Microalgae have reemerged as organisms of prime biotechnological interest due to their ability to synthesize a suite of valuable chemicals. To harness the capabilities of these organisms, we need a comprehensive systems-level understanding of their metabolism, which can be fundamentally achieved through large-scale mechanistic models of metabolism. In this study, we present a revised and significantly improved genome-scale metabolic model for the widely-studied microalga, Chlamydomonas reinhardtii. The model, iCre1355, represents a major advance over previous models, both in content and predictive power. iCre1355 encompasses a broad range of metabolic functions encoded across the nuclear, chloroplast and mitochondrial genomes accounting for 1355 genes (1460 transcripts), 2394 and 1133 metabolites. We found improved performance over the previous metabolic model based on comparisons of predictive accuracy across 306 phenotypes (from 81 mutants), lipid yield analysis and growth rates derived from chemostat-grown cells (under three conditions). Measurement of macronutrient uptake revealed carbon and phosphate to be good predictors of growth rate, while nitrogen consumption appeared to be in excess. We analyzed high-resolution time series transcriptomics data using iCre1355 to uncover dynamic pathway-level changes that occur in response to nitrogen starvation and changes in light intensity. This approach enabled accurate prediction of growth rates, the cessation of growth and accumulation of triacylglycerols during nitrogen starvation, and the temporal response of different growth-associated pathways to increased light intensity. Thus, iCre1355 represents an experimentally validated genome-scale reconstruction of C. reinhardtii metabolism that should serve as a useful resource for studying the metabolic processes of this and related microalgae. C1 [Imam, Saheed; Schaeuble, Sascha; Valenzuela, Jacob; de Lomana, Adrian Lopez Garcia; Carter, Warren; Price, Nathan D.; Baliga, Nitin S.] Inst Syst Biol, Seattle, WA 98109 USA. [Schaeuble, Sascha] Univ Jena, Language & Informat Engn JULIE Lab, D-07743 Jena, Germany. [Schaeuble, Sascha] Univ Jena, Res Grp Theoret Syst Biol, D-07743 Jena, Germany. [Price, Nathan D.] Univ Washington, Dept Bioengn, Seattle, WA 98195 USA. [Price, Nathan D.] Univ Washington, Dept Comp Sci & Engn, Seattle, WA 98195 USA. [Price, Nathan D.; Baliga, Nitin S.] Univ Washington, Mol & Cellular Biol Program, Seattle, WA 98195 USA. [Baliga, Nitin S.] Univ Washington, Dept Biol, Seattle, WA 98195 USA. [Baliga, Nitin S.] Univ Washington, Dept Microbiol, Seattle, WA 98195 USA. [Baliga, Nitin S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Baliga, NS (reprint author), Inst Syst Biol, 401 Terry Ave N, Seattle, WA 98109 USA. EM nbaliga@systemsbiology.org FU DOE-ABY [DEEE0006315]; NIH Center for Systems Biology [2P50 GM076547]; Camille Dreyfus Teacher-Scholar program; German Ministry for Research and Education [FKZ 0315581D, FKZ 01ZX1402C] FX We would like to thank Dr Julie Bletz for careful reading of the manuscript and for helpful comments. This work was funded in part by DOE-ABY (DEEE0006315) (SI, JV, ALGdL, WC, NSB, NDP), NIH Center for Systems Biology/2P50 GM076547 (NSB, NDP) and the Camille Dreyfus Teacher-Scholar program (NDP). We also acknowledge financial support from the German Ministry for Research and Education within the framework of the GerontoSys initiative (grant FKZ 0315581D) and GlioPATH (grant FKZ 01ZX1402C) (SS). NR 85 TC 3 Z9 3 U1 3 U2 19 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0960-7412 EI 1365-313X J9 PLANT J JI Plant J. PD DEC PY 2015 VL 84 IS 6 BP 1239 EP 1256 DI 10.1111/tpj.13059 PG 18 WC Plant Sciences SC Plant Sciences GA DB1LC UT WOS:000368268700016 PM 26485611 ER PT J AU Gaglia, MM Rycroft, CH Glaunsinger, BA AF Gaglia, Marta Maria Rycroft, Chris H. Glaunsinger, Britt A. TI Transcriptome-Wide Cleavage Site Mapping on Cellular mRNAs Reveals Features Underlying Sequence-Specific Cleavage by the Viral Ribonuclease SOX SO PLOS PATHOGENS LA English DT Article ID HOST SHUTOFF; ENDONUCLEOLYTIC CLEAVAGE; PARALLEL ANALYSIS; PARE LIBRARIES; HUMAN-CELLS; PROTEIN; KSHV; DEGRADATION; TARGETS; INFECTION AB Many viruses express factors that reduce host gene expression through widespread degradation of cellular mRNA. An example of this class of proteins is the mRNA-targeting endoribonuclease SOX from the gamma-herpesvirus Kaposi's sarcoma-associated herpesvirus (KSHV). Previous studies indicated that cleavage of messenger RNAs (mRNA) by SOX occurs at specific locations defined by the sequence of the target RNA, which is at odds with the down-regulation of a large portion of cellular transcripts. In this study, we address this paradox by using high-throughput sequencing of cleavage intermediates combined with a custom bioinformatics-based analysis pipeline to identify SOX cleavage sites across the mRNA transcriptome. These data, coupled with targeted mutagenesis, reveal that while cleavage sites are specific and reproducible, they are defined by a degenerate sequence motif containing a small number of conserved residues rather than a strong consensus sequence. This degenerate element is well represented in both human and KSHV mRNA, and its presence correlates with RNA destabilization by SOX. This represents a new endonuclease targeting strategy, in which use of a degenerate targeting element enables RNA cleavage at specific locations without restricting the range of targets. Furthermore, it shows that strong target selectivity can be achieved without a high degree of sequence specificity. C1 [Gaglia, Marta Maria] Tufts Univ, Sackler Sch Grad Biomed Sci, Program Mol Microbiol, Boston, MA 02111 USA. [Gaglia, Marta Maria] Tufts Univ, Sch Med, Dept Mol Biol & Microbiol, Boston, MA 02111 USA. [Rycroft, Chris H.] Harvard Univ, Sch Engn & Appl Sci, Cambridge, MA 02138 USA. [Rycroft, Chris H.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Dept Math, Berkeley, CA 94720 USA. [Glaunsinger, Britt A.] Univ Calif Berkeley, Howard Hughes Med Inst, Berkeley, CA 94720 USA. [Glaunsinger, Britt A.] Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA. RP Gaglia, MM (reprint author), Tufts Univ, Sackler Sch Grad Biomed Sci, Program Mol Microbiol, Boston, MA 02111 USA. EM Marta.Gaglia@tufts.edu; glaunsinger@berkeley.edu FU NIH [CA136367, CA160556]; Burroughs Wellcome Foundation Investigators in the Pathogenesis of Infectious Disease Award; W. M. Keck Foundation Distinguished Young Scholars Award FX This study was funded by the following grants to BAG: NIH CA136367, NIH CA160556, Burroughs Wellcome Foundation Investigators in the Pathogenesis of Infectious Disease Award, and a W. M. Keck Foundation Distinguished Young Scholars Award. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. NR 44 TC 3 Z9 3 U1 1 U2 9 PU PUBLIC LIBRARY SCIENCE PI SAN FRANCISCO PA 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA SN 1553-7366 EI 1553-7374 J9 PLOS PATHOG JI PLoS Pathog. PD DEC PY 2015 VL 11 IS 12 AR e1005305 DI 10.1371/journal.ppat.1005305 PG 25 WC Microbiology; Parasitology; Virology SC Microbiology; Parasitology; Virology GA DB2IZ UT WOS:000368332800027 PM 26646420 ER PT J AU Saada, EA DeMarco, SF Shimogawa, MM Hill, KL AF Saada, Edwin A. DeMarco, Stephanie F. Shimogawa, Michelle M. Hill, Kent L. TI "With a Little Help from My Friends"-Social Motility in Trypanosoma brucei SO PLOS PATHOGENS LA English DT Article ID ADENYLATE CYCLASES; TSETSE-FLIES; AFRICAN TRYPANOSOMES; SWARMING MOTILITY; BIOFILM FORMATION; SURFACE GLYCOPROTEIN; FLAGELLAR MEMBRANE; BLOOD-STREAM; CELL-DENSITY; FLY C1 [Saada, Edwin A.; DeMarco, Stephanie F.; Shimogawa, Michelle M.; Hill, Kent L.] Univ Calif Los Angeles, Dept Microbiol Immunol & Mol Genet, Los Angeles, CA USA. [DeMarco, Stephanie F.; Hill, Kent L.] Univ Calif Los Angeles, Inst Mol Biol, Los Angeles, CA USA. RP Saada, EA (reprint author), Sandia Natl Labs, Livermore, CA USA. EM kenthill@microbio.ucla.edu FU NIH [R01AI052348]; Burroughs Wellcome Fund Investigator in Global Infectious Disease award FX Work in the authors' laboratory is supported by NIH grant R01AI052348 and a Burroughs Wellcome Fund Investigator in Global Infectious Disease award to KLH. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. NR 53 TC 1 Z9 1 U1 6 U2 8 PU PUBLIC LIBRARY SCIENCE PI SAN FRANCISCO PA 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA SN 1553-7366 EI 1553-7374 J9 PLOS PATHOG JI PLoS Pathog. PD DEC PY 2015 VL 11 IS 12 AR e1005272 DI 10.1371/journal.ppat.1005272 PG 9 WC Microbiology; Parasitology; Virology SC Microbiology; Parasitology; Virology GA DB2IZ UT WOS:000368332800012 PM 26679190 ER PT J AU Nogales, E AF Nogales, Eva TI An electron microscopy journey in the study of microtubule structure and dynamics SO PROTEIN SCIENCE LA English DT Review DE cryo-EM; microtubules; dynamic instability; GTP ID ALPHA-BETA-TUBULIN; ZINC-INDUCED SHEETS; CRYOELECTRON MICROSCOPY; 3-DIMENSIONAL STRUCTURE; MOTOR PROTEINS; GTP HYDROLYSIS; CCD CAMERA; 400 KV; RESOLUTION; COMPLEX AB Structural characterization of microtubules has been the realm of three-dimensional electron microscopy and thus has evolved hand in hand with the progress of this technique, from the initial 3D reconstructions of stained tubulin assemblies, and the first atomic model of tubulin by electron crystallography of 2D sheets of protofilaments, to the ever more detailed cryoelectron microscopy structures of frozen-hydrated microtubules. Most recently, hybrid helical and single particle image processing techniques, and the latest detector technology, have lead to atomic models built directly into the density maps of microtubules in different functional states, shading new light into the critical process of microtubule dynamic instability. C1 [Nogales, Eva] Univ Calif Berkeley, Mol & Cell Biol Dept, Berkeley, CA 94720 USA. [Nogales, Eva] Univ Calif Berkeley, Inst QB3, Berkeley, CA 94720 USA. [Nogales, Eva] Univ Calif Berkeley, Howard Hughes Med Inst, Berkeley, CA 94720 USA. [Nogales, Eva] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. RP Nogales, E (reprint author), Univ Calif Berkeley, Mol & Cell Biol Dept, Berkeley, CA 94720 USA. EM enogales@lbl.gov FU NIGMS [GM051487]; Howard Hughes Medical Institute FX Grant sponsor: NIGMS; Grant number: GM051487; Grant sponsor: The Howard Hughes Medical Institute Investigator. NR 41 TC 1 Z9 1 U1 1 U2 17 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0961-8368 EI 1469-896X J9 PROTEIN SCI JI Protein Sci. PD DEC PY 2015 VL 24 IS 12 BP 1912 EP 1919 DI 10.1002/pro.2808 PG 8 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA DB1TN UT WOS:000368292000002 PM 26401895 ER PT J AU Chou, TH Delmar, JA Wright, CC Kumar, N Radhakrishnan, A Doh, JK Licon, MH Bolla, JR Lei, HT Rajashankar, KR Su, CC Purdy, GE Yu, EW AF Chou, Tsung-Han Delmar, Jared A. Wright, Catherine C. Kumar, Nitin Radhakrishnan, Abhijith Doh, Julia K. Licon, Meredith H. Bolla, Jani Reddy Lei, Hsiang-Ting Rajashankar, Kanagalaghatta R. Su, Chih-Chia Purdy, Georgiana E. Yu, Edward W. TI Crystal structure of the Mycobacterium tuberculosis transcriptional regulator Rv0302 SO PROTEIN SCIENCE LA English DT Article DE Mycobacterial membrane protein large; Mycobacterial membrane protein; small; TetR-family regulator; Rv0302 ID CELL-WALL; SULFOLIPID-1 BIOSYNTHESIS; FUNCTIONAL-ANALYSIS; GRANULOMA-FORMATION; PROTEIN; RESISTANCE; REPRESSOR; VIRULENCE; SOFTWARE; SYSTEM AB Mycobacterium tuberculosis is a pathogenic bacterial species, which is neither Gram positive nor Gram negative. It has a unique cell wall, making it difficult to kill and conferring resistance to antibiotics that disrupt cell wall biosynthesis. Thus, the mycobacterial cell wall is critical to the virulence of these pathogens. Recent work shows that the mycobacterial membrane protein large (MmpL) family of transporters contributes to cell wall biosynthesis by exporting fatty acids and lipidic elements of the cell wall. The expression of the Mycobacterium tuberculosis MmpL proteins is controlled by a complicated regulatory network system. Here we report crystallographic structures of two forms of the TetR-family transcriptional regulator Rv0302, which participates in regulating the expression of MmpL proteins. The structures reveal a dimeric, two-domain molecule with architecture consistent with the TetR family of regulators. Comparison of the two Rv0302 crystal structures suggests that the conformational changes leading to derepression may be due to a rigid body rotational motion within the dimer interface of the regulator. Using fluorescence polarization and electrophoretic mobility shift assays, we demonstrate the recognition of promoter and intragenic regions of multiple mmpL genes by this protein. In addition, our isothermal titration calorimetry and electrophoretic mobility shift experiments indicate that fatty acids may be the natural ligand of this regulator. Taken together, these experiments provide new perspectives on the regulation of the MmpL family of transporters. C1 [Chou, Tsung-Han; Delmar, Jared A.; Su, Chih-Chia; Yu, Edward W.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Wright, Catherine C.; Doh, Julia K.; Licon, Meredith H.; Purdy, Georgiana E.] Oregon Hlth & Sci Univ, Dept Mol Microbiol & Immunol, Portland, OR 97239 USA. [Kumar, Nitin; Radhakrishnan, Abhijith; Bolla, Jani Reddy; Lei, Hsiang-Ting; Yu, Edward W.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. [Rajashankar, Kanagalaghatta R.] Cornell Univ, NE CAT, Argonne, IL 60439 USA. [Rajashankar, Kanagalaghatta R.] Cornell Univ, Dept Chem & Chem Biol, Argonne Natl Lab, Argonne, IL 60439 USA. RP Yu, EW (reprint author), Iowa State Univ, Dept Chem, Ames, IA 50011 USA. EM ewyu@iastate.edu OI Licon, Meredith/0000-0002-1018-577X FU NIH [R56AI114664] FX Grant sponsor: NIH; Grant number: R56AI114664 (to G.E.P. and E.W.Y.). NR 53 TC 1 Z9 1 U1 3 U2 5 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0961-8368 EI 1469-896X J9 PROTEIN SCI JI Protein Sci. PD DEC PY 2015 VL 24 IS 12 BP 1942 EP 1955 DI 10.1002/pro.2802 PG 14 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA DB1TN UT WOS:000368292000005 PM 26362239 ER PT J AU Morar, M Evdokimova, E Chang, C Ensminger, AW Savchenko, A AF Morar, Mariya Evdokimova, Elena Chang, Changsoo Ensminger, Alexander W. Savchenko, Alexei TI Crystal structure of the Legionella pneumophila lem10 effector reveals a new member of the HD protein superfamily SO PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS LA English DT Article DE X-ray crystallography; multidomain protein; gram-negative pathogen; secretion system substrate ID ESCHERICHIA-COLI; BINDING DOMAIN; VIRULENCE; SYSTEM; GENOME; PHOSPHODIESTERASE; PREDICTION; SERVER; TOOLS; MODEL AB Legionella pneumophila, the intracellular pathogen that can cause severe pneumonia known as Legionnaire's disease, translocates close to 300 effectors inside the host cell using Dot/Icm type IVB secretion system. The structure and function for the majority of these effector proteins remains unknown. Here, we present the crystal structure of the L. pneumophila effector Lem10. The structure reveals a multidomain organization with the largest C-terminal domain showing strong structural similarity to the HD protein superfamily representatives. However, Lem10 lacks the catalytic His-Asp residue pair and does not show any in vitro phosphohydrolase enzymatic activity, typical for HD proteins. While the biological function of Lem10 remains elusive, our analysis shows that similar distinct features are shared by a significant number of HD domains found in Legionella proteins, including the SidE family of effectors known to play an important role during infection. Taken together our data point to the presence of a specific group of non-catalytic Legionella HD domains, dubbed LHDs, which are involved in pathogenesis. (C) 2015 Wiley Periodicals, Inc. C1 [Morar, Mariya; Evdokimova, Elena; Savchenko, Alexei] Univ Toronto, Dept Chem Engn & Appl Chem, Toronto, ON M5S3E5, Canada. [Chang, Changsoo] Argonne Natl Lab, Struct Biol Ctr, Biosci Div, Argonne, IL 60439 USA. [Ensminger, Alexander W.] Univ Toronto, Dept Mol Genet, Toronto, ON M5S3E5, Canada. RP Savchenko, A (reprint author), Univ Toronto, WB420B Chem Engn & Appl Chem,200 Coll St, Toronto, ON M5S3E5, Canada. EM alexei.savchenko@utoronto.ca FU NIH PSI [GM74492, GM094585]; Canadian Institutes of Health Research [MOP-13340]; Natural Sciences and Engineering Research Council of Canada [RGPIN-2014-03641]; U.S. Department of Energy, Office of Biological and Environmental Research [DE-AC02-06CH11357] FX Grant sponsor: NIH PSI Grants; Grant numbers: GM74492 and GM094585; Grant sponsor: Canadian Institutes of Health Research; Grant number: MOP-13340; Grant sponsor: Natural Sciences and Engineering Research Council of Canada; Grant number: RGPIN-2014-03641; Grant sponsor: U.S. Department of Energy, Office of Biological and Environmental Research; Grant number: DE-AC02-06CH11357. NR 29 TC 1 Z9 1 U1 0 U2 1 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0887-3585 EI 1097-0134 J9 PROTEINS JI Proteins PD DEC PY 2015 VL 83 IS 12 BP 2319 EP 2325 DI 10.1002/prot.24933 PG 7 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA DB2IE UT WOS:000368330700017 PM 26426142 ER PT J AU Jang, DH Anderson-Cook, CM AF Jang, Dae-Heung Anderson-Cook, Christine M. TI Visualization Approaches for Evaluating Ridge Regression Estimators in Mixture and Mixture-Process Experiments SO QUALITY AND RELIABILITY ENGINEERING INTERNATIONAL LA English DT Article DE multicollinearity; bias-variance trade-off; mixture-process experiments ID DESIGN SPACE; PARAMETER; FRACTION AB When the component proportions in mixture experiments are restricted by lower and upper bounds, the input space of a designed experiment space can become an irregular region that can induce multicollinearity problems when estimating the component proportion parameters. Thus, ridge regression provides a beneficial means of stabilizing the coefficient estimates in the fitted model. Previous research has focused on using prediction variance as a metric for determining an appropriate value of the ridge constant, k. We use visualization techniques to illustrate and evaluate ridge regression estimators and the robustness of estimation with respect to the variance and the bias. The addition of bias allows better balancing between the stability of the estimators and minimally changing the estimates. We illustrate the graphical methods with mixture and mixture-process examples from the literature. Copyright (C) 2014 John Wiley & Sons, Ltd. C1 [Jang, Dae-Heung] Pukyong Natl Univ, Dept Stat, Busan, South Korea. [Anderson-Cook, Christine M.] Los Alamos Natl Lab, Stat Sci Grp, Los Alamos, NM 87545 USA. RP Anderson-Cook, CM (reprint author), Los Alamos Natl Lab, Stat Sci Grp, Los Alamos, NM 87545 USA. EM candcook@gmail.com NR 17 TC 1 Z9 1 U1 0 U2 1 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0748-8017 EI 1099-1638 J9 QUAL RELIAB ENG INT JI Qual. Reliab. Eng. Int. PD DEC PY 2015 VL 31 IS 8 BP 1483 EP 1494 DI 10.1002/qre.1683 PG 12 WC Engineering, Multidisciplinary; Engineering, Industrial; Operations Research & Management Science SC Engineering; Operations Research & Management Science GA DB2TQ UT WOS:000368362900014 ER PT J AU Hamada, MS Abes, JI AF Hamada, M. S. Abes, J. I. TI Statistical Tests to Validate Predictive Models SO QUALITY AND RELIABILITY ENGINEERING INTERNATIONAL LA English DT Article DE individuals control chart; regression control chart; power; (X)over-bar and S control charts AB This article presents validation tests to check a predictive model over time. These validation tests are like individuals, (X) over bar and S control charts. The individuals validation test is used when there are no replicates at the checked time points. The (X) over bar and S validation tests can be used when there are replicates. Their power is evaluated under various scenarios via a simulation study. Based on these results, the (X) over bar and S validation tests are recommended when there are replicate measurements. Copyright (c) 2014 John Wiley & Sons, Ltd. C1 [Hamada, M. S.; Abes, J. I.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Hamada, MS (reprint author), Los Alamos Natl Lab, Stat Sci Grp, POB 1663, Los Alamos, NM 87545 USA. EM hamada@lanl.gov NR 4 TC 0 Z9 0 U1 0 U2 0 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0748-8017 EI 1099-1638 J9 QUAL RELIAB ENG INT JI Qual. Reliab. Eng. Int. PD DEC PY 2015 VL 31 IS 8 BP 1761 EP 1768 DI 10.1002/qre.1715 PG 8 WC Engineering, Multidisciplinary; Engineering, Industrial; Operations Research & Management Science SC Engineering; Operations Research & Management Science GA DB2TQ UT WOS:000368362900034 ER PT J AU Fraboni, B Scida, A Cosseddu, P Wang, YQ Nastasi, M Milita, S Bonfiglio, A AF Fraboni, Beatrice Scida, Alessandra Cosseddu, Piero Wang, Yongqiang Nastasi, Michael Milita, Silvia Bonfiglio, Annalisa TI Turning an organic semiconductor into a low-resistance material by ion implantation SO SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS LA English DT Article DE ion implantation; organic thin film; thin film transistor ID THIN-FILM TRANSISTORS; FIELD-EFFECT TRANSISTORS; CONTACT RESISTANCE; CHARGE INJECTION; TRANSPORT; POLYMER; VOLTAGE AB We report on the effects of low energy ion implantation on thin films of pentacene, carried out to investigate the efficacy of this process in the fabrication of organic electronic devices. Two different ions, Ne and N, have been implanted and compared, to assess the effects of different reactivity within the hydrocarbon matrix. Strong modification of the electrical conductivity, stable in time, is observed following ion implantation. This effect is significantly larger for N implants (up to six orders of magnitude), which are shown to introduce stable charged species within the hydrocarbon matrix, not only damage as is the case for Ne implants. Fully operational pentacene thin film transistors have also been implanted and we show how a controlled N ion implantation process can induce stable modifications in the threshold voltage, without affecting the device performance. C1 [Fraboni, Beatrice; Scida, Alessandra] Univ Bologna, Dipartimento Fis & Astron, I-40127 Bologna, Italy. [Cosseddu, Piero; Bonfiglio, Annalisa] Univ Cagliari, Dipartimento Ingn Elettr & Elettron, I-09123 Cagliari, Italy. [Cosseddu, Piero; Bonfiglio, Annalisa] CNR INFM, I-41100 Modena, Italy. [Wang, Yongqiang] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Nastasi, Michael] Univ Nebraska, NCESR, Lincoln, NE 68588 USA. [Milita, Silvia] CNR, IMM, I-40126 Bologna, Italy. RP Fraboni, B (reprint author), Univ Bologna, Dipartimento Fis & Astron, Viale Berti Pichat 6-2, I-40127 Bologna, Italy. EM beatrice.fraboni@unibo.it FU National Nuclear Security Administration of the US Department of Energy [DE-AC52-06NA25396] FX This work was performed, in part, at the Center for Integrated Nanotechnologies, a US Department of Energy, Office of Basic Energy Sciences user facility. Los Alamos National Laboratory, an affirmative action equal opportunity employer, is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the US Department of Energy under contract DE-AC52-06NA25396. The authors are grateful to Dr Qing Su for helpful discussion on FTIR analyses. NR 25 TC 0 Z9 0 U1 2 U2 7 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1468-6996 EI 1878-5514 J9 SCI TECHNOL ADV MAT JI Sci. Technol. Adv. Mater. PD DEC PY 2015 VL 16 IS 6 AR 065008 DI 10.1088/1468-6996/16/6/065008 PG 6 WC Materials Science, Multidisciplinary SC Materials Science GA DB2JJ UT WOS:000368333800008 PM 27877850 ER PT J AU Powell, JD AF Powell, Joshua D. TI From Pandemic Preparedness to Biofuel Production: Tobacco Finds Its Biotechnology Niche in North America SO AGRICULTURE-BASEL LA English DT Editorial Material DE Agrobacterium; Nicotiana benthamiana; tobacco; Zmapp ID VIRUS-LIKE PARTICLES; SUBUNIT VACCINE CANDIDATE; HUMAN MONOCLONAL-ANTIBODY; HUMAN HOOKWORM VACCINE; HIGH-LEVEL PRODUCTION; DNA REPLICON SYSTEM; ENVELOPE DOMAIN-III; TMV-BASED VECTOR; TOXIN B-SUBUNIT; WEST NILE VIRUS AB In 2012 scientists funded by the United States Defense Advanced Research Projects Agency (DARPA) produced 10 million doses of influenza vaccine in tobacco in a milestone deadline of one month. Recently the experimental antibody cocktail Zmapp, also produced in tobacco, has shown promise as an emergency intervention therapeutic against Ebola virus. These two examples showcase how collaborative efforts between government, private industry and academia are applying plant biotechnology to combat pathogenic agents. Opportunities now exist repurposing tobacco expression systems for exciting new applications in synthetic biology, biofuels production and industrial enzyme production. As plant-produced biotherapeutics become more mainstream, government funding agencies need to be cognizant of the idea that many plant-produced biologicals are often safer, cheaper, and just as efficacious as traditionally used expression systems. C1 [Powell, Joshua D.] Pacific NW Natl Lab, Chem & Biol Signature Sci Grp, Richland, WA 99352 USA. RP Powell, JD (reprint author), Pacific NW Natl Lab, Chem & Biol Signature Sci Grp, Richland, WA 99352 USA. EM joshua.powell@pnnl.gov NR 118 TC 2 Z9 2 U1 7 U2 16 PU MDPI AG PI BASEL PA POSTFACH, CH-4005 BASEL, SWITZERLAND SN 2077-0472 J9 AGRICULTURE-BASEL JI Agriculture-Basel PD DEC PY 2015 VL 5 IS 4 BP 901 EP 917 DI 10.3390/agriculture5040901 PG 17 WC Agronomy SC Agriculture GA DA2CM UT WOS:000367602900001 ER PT J AU Casella, AM Scheele, RD McNamara, BK AF Casella, Andrew M. Scheele, Randall D. McNamara, Bruce K. TI Characterization of the kinetics of NF3-fluorination of NpO2 SO AIP ADVANCES LA English DT Article ID FLUORIDE VOLATILITY METHOD; THERMAL-ANALYSIS KINETICS; REPROCESSING SYSTEM; NUCLEAR-FUELS; NF3; UO2 AB Solid NpO2 has been contacted by gaseous NF3 under isothermal conditions at 450 degrees C, 475 degrees C, and 500 degrees C; and the resulting reactions have been monitored using thermogravimetric analysis. In each case, at least two sequential reactions are clearly observed. The first reaction is fluorination of NpO2 to NpF4 and the second is oxidation and fluorination of NpF4 to NpF6. Careful observation of the experimental reaction curves reveals evidence of several physical and chemical mechanisms occurring sequentially and at times simultaneously. As such, a mathematical modeling approach utilizing a combination of sequential and parallel fundamental gas-solid reaction mechanisms (chemical reaction, diffusion, and phase boundary) is, in general, found to provide representative reaction curves that are in good agreement with experimental reaction curves. The correspondence of fundamental reaction mechanisms with distinctive characteristics of the experimental reaction curves (maximums and inflection points) provides insight into the physical and chemical nature of each reaction being monitored. (C) 2015 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/). C1 [Casella, Andrew M.; Scheele, Randall D.; McNamara, Bruce K.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Casella, AM (reprint author), Pacific NW Natl Lab, POB 999,Battelle Blvd, Richland, WA 99352 USA. EM andrew.casella@pnnl.gov OI Casella, Andrew/0000-0002-4053-6593 FU United States Department of Energy (DOE) [DE-AC05-76RL01830]; DOE-Nuclear Energy's Fuel Cycle Research and Development Program; PNNL's Sustained Nuclear Power Initiative FX The work described in this article was performed by Pacific Northwest National Laboratory (PNNL), which is operated by Battelle for the United States Department of Energy (DOE) under Contract DE-AC05-76RL01830. The DOE-Nuclear Energy's Fuel Cycle Research and Development Program and PNNL's Sustained Nuclear Power Initiative funded our efforts. NR 26 TC 0 Z9 0 U1 0 U2 1 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 DEC PY 2015 VL 5 IS 12 AR 127230 DI 10.1063/1.4939143 PG 16 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Physics GA DA1ZY UT WOS:000367596300073 ER PT J AU Jeen, H Lee, HN AF Jeen, Hyoungjeen Lee, Ho Nyung TI Structural evolution of epitaxial SrCoOx films near topotactic phase transition SO AIP ADVANCES LA English DT Article ID REDOX REACTIONS; NEUTRON-DIFFRACTION; LOW-TEMPERATURE; ION-TRANSPORT; PEROVSKITES; OXIDE AB Control of oxygen stoichiometry in complex oxides via topotactic phase transition is an interesting avenue to not only modifying the physical properties, but utilizing in many energy technologies, such as energy storage and catalysts. However, detailed structural evolution in the close proximity of the topotactic phase transition in multivalent oxides has not been much studied. In this work, we used strontium cobaltites (SrCoOx) epitaxially grown by pulsed laser epitaxy (PLE) as a model system to study the oxidation-driven evolution of the structure, electronic, and magnetic properties. We grew coherently strained SrCoO2.5 thin films and performed post-annealing at various temperatures for topotactic conversion into the perovskite phase (SrCoO3-delta). We clearly observed significant changes in electronic transport, magnetism, and microstructure near the critical temperature for the topotactic transformation from the brownmillerite to the perovskite phase. Nevertheless, the overall crystallinity was well maintained without much structural degradation, indicating that topotactic phase control can be a useful tool to control the physical properties repeatedly via redox reactions. (C) 2015 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/). C1 [Jeen, Hyoungjeen; Lee, Ho Nyung] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Jeen, Hyoungjeen] Pusan Natl Univ, Dept Phys, Busan 609735, South Korea. RP Lee, HN (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. EM hnlee@ornl.gov RI Lee, Ho Nyung/K-2820-2012 OI Lee, Ho Nyung/0000-0002-2180-3975 FU U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division FX We greatly appreciate J. Petrie for technical assistance. This work was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division. NR 23 TC 1 Z9 1 U1 6 U2 28 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 DEC PY 2015 VL 5 IS 12 AR 127123 DI 10.1063/1.4938547 PG 6 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Physics GA DA1ZY UT WOS:000367596300023 ER PT J AU Kim, JS Kim, SY Kim, DH Ott, RT Kim, HG Lee, MH AF Kim, J. S. Kim, S. Y. Kim, D. H. Ott, R. T. Kim, H. G. Lee, M. H. TI Effect of hydrothermal condition on the formation of multi-component oxides of Ni-based metallic glass under high temperature water near the critical point (vol 5, 077132, 2015) SO AIP ADVANCES LA English DT Correction C1 [Kim, J. S.] Iljin Global Co Ltd, Headquarters Bearing Div, Seoul 135875, South Korea. [Kim, S. Y.; Lee, M. H.] Korea Inst Ind Technol, Rare Met R&D Grp, Inchon 406840, South Korea. [Kim, D. H.] Yonsei Univ, Ctr Noncrystalline Mat, Seoul 120749, South Korea. [Ott, R. T.] US DOE, Div Mat & Engn, Ames Lab, Ames, IA 50011 USA. [Kim, H. G.] Korea Atom Energy Inst, LWR Fuel Technol Div, Daejeon 305600, South Korea. RP Lee, MH (reprint author), Korea Inst Ind Technol, Rare Met R&D Grp, Inchon 406840, South Korea. EM mhlee1@kitech.re.kr NR 1 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 2158-3226 J9 AIP ADV JI AIP Adv. PD DEC PY 2015 VL 5 IS 12 AR 129903 DI 10.1063/1.4939515 PG 1 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Physics GA DA1ZY UT WOS:000367596300088 ER PT J AU Xue, B Katan, C Bjorgaard, JA Kobayashi, T AF Xue, B. Katan, C. Bjorgaard, J. A. Kobayashi, T. TI Non-degenerate two photon absorption enhancement for laser dyes by precise lock-in detection SO AIP ADVANCES LA English DT Article ID EXCITATION CROSS-SECTIONS; NM; SPECTROSCOPY; GENERATION; MICROSCOPY AB This study demonstrates a measurement system for a non-degenerate two-photon absorption (NDTPA) spectrum. The NDTPA light sources are a white light super continuum beam (WLSC, 500 similar to 720 nm) and a fundamental beam (798 nm) from a Ti:Sapphire laser. A reliable broadband NDTPA spectrum is acquired in a single-shot detection procedure using a 128-channel lock-in amplifier. The NDTPA spectra for several common laser dyes are measured. Two photon absorption cross section enhancements are found in the experiment and validated by theoretical calculation for all of the chromophores. (C) 2015 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/). C1 [Xue, B.; Kobayashi, T.] Univ Electrocommun, Fac Informat & Engn, Adv Ultrafast Laser Res Ctr, Chofu, Tokyo 1828585, Japan. [Xue, B.; Kobayashi, T.] Univ Electrocommun, Fac Informat & Engn, Dept Engn Sci, Chofu, Tokyo 1828585, Japan. [Xue, B.; Kobayashi, T.] Japan Sci & Technol Agcy, CREST, Chiyoda Ku, Tokyo 1020075, Japan. [Katan, C.] Univ Rennes 1, UMR CNRS 6226, Inst Sci Chim Rennes, F-35042 Rennes, France. [Bjorgaard, J. A.] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. [Bjorgaard, J. A.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM USA. [Kobayashi, T.] Natl Chiao Tung Univ, Dept Electrophys, Hsinchu 30010, Taiwan. [Kobayashi, T.] Osaka Univ, Inst Laser Engn, Suita, Osaka 5650871, Japan. RP Kobayashi, T (reprint author), Univ Electrocommun, Fac Informat & Engn, Adv Ultrafast Laser Res Ctr, 1-5-1 Chofugaoka, Chofu, Tokyo 1828585, Japan. EM kobayashi@ils.uec.ac.jp OI Bjorgaard, Josiah/0000-0003-3679-2487; KATAN, Claudine/0000-0002-2017-5823 FU National Science Council of the Republic of China, Taiwan [NSC 98-2112-M-009-001-MY3]; Ministry of Education, Aiming for Top University (MOE ATU) Program at National Chiao-Tung University (NCTU); Japan Society for the Promotion of Science [24740261]; Institute of Laser Engineering, Osaka University [B1-27]; Chinese Academy of Sciences; U.S. Department of Energy through the Los Alamos National Laboratory (LANL) LDRD Program; National Nuclear Security Administration of the U.S. Department of Energy [DE-AC52-06NA25396]; Center for Nonlinear Studies (CNLS) at LANL FX This work is supported by the National Science Council of the Republic of China, Taiwan (NSC 98-2112-M-009-001-MY3), and a grant from the Ministry of Education, Aiming for Top University (MOE ATU) Program at National Chiao-Tung University (NCTU). This study is financially supported by a Grant-in-Aid for Scientific Research (No. 24740261) received from the Japan Society for the Promotion of Science and a joint research project at the Institute of Laser Engineering, Osaka University, under contract number B1-27. The research has been also supported by "100 Talents Program of The Chinese Academy of Sciences". C.K. acknowledges the HPC resources of CINES and of IDRIS under the allocations 2014-[x2014080649] and 2015-[x2015080649] made by GENCI (Grand Equipement National de Calcul Intensif). JAB acknowledges support of the U.S. Department of Energy through the Los Alamos National Laboratory (LANL) LDRD Program. LANL is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the U.S. Department of Energy under contract DE-AC52-06NA25396. We also acknowledge support of the Center for Nonlinear Studies (CNLS) at LANL and Sergei Tretiak for helpful discussion. NR 35 TC 0 Z9 0 U1 3 U2 12 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 DEC PY 2015 VL 5 IS 12 AR 127138 DI 10.1063/1.4939568 PG 11 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Physics GA DA1ZY UT WOS:000367596300038 ER PT J AU Andonov, R Djidjev, H Klau, GW Le Boudic-Jamin, M Wohlers, I AF Andonov, Rumen Djidjev, Hristo Klau, Gunnar W. Le Boudic-Jamin, Mathilde Wohlers, Inken TI Automatic Classification of Protein Structure Using the Maximum Contact Map Overlap Metric SO ALGORITHMS LA English DT Article DE maximum contact map overlap; protein space metric; k-nearest neighbor classification; superfamily classification; SCOP ID STRUCTURE ALIGNMENTS; GAUSS INTEGRALS; ALGORITHM AB In this work, we propose a new distance measure for comparing two protein structures based on their contact map representations. We show that our novel measure, which we refer to as the maximum contact map overlap (max-CMO) metric, satisfies all properties of a metric on the space of protein representations. Having a metric in that space allows one to avoid pairwise comparisons on the entire database and, thus, to significantly accelerate exploring the protein space compared to no-metric spaces. We show on a gold standard superfamily classification benchmark set of 6759 proteins that our exact k-nearest neighbor (k-NN) scheme classifies up to 224 out of 236 queries correctly and on a larger, extended version of the benchmark with 60, 850 additional structures, up to 1361 out of 1369 queries. Our k-NN classification thus provides a promising approach for the automatic classification of protein structures based on flexible contact map overlap alignments. C1 [Andonov, Rumen; Le Boudic-Jamin, Mathilde] INRIA Rennes Bretagne Atlantique, F-35042 Rennes, France. [Andonov, Rumen; Le Boudic-Jamin, Mathilde] Univ Rennes 1, F-35042 Rennes, France. [Djidjev, Hristo] Los Alamos Natl Lab, Los Alamos, NM 87544 USA. [Klau, Gunnar W.] CWI, Life Sci, NL-1090 GB Amsterdam, Netherlands. [Wohlers, Inken] Univ Duisburg Essen, Genome Informat, D-45147 Essen, Germany. [Wohlers, Inken] Med Lubeck, Platform Genome Analyt, Inst Neurogenet, D-23562 Lubeck, Germany. [Wohlers, Inken] Med Lubeck, Platform Genome Analyt, Inst Integrat & Expt Genom, D-23562 Lubeck, Germany. RP Andonov, R (reprint author), INRIA Rennes Bretagne Atlantique, Campus Beaulieu, F-35042 Rennes, France. EM rumen.andonov@inria.fr; djidjev@lanl.gov; Gunnar.Klau@cwi.nl; mathilde.le_boudic-jamin@inria.fr; Inken.Wohlers@uni-luebeck.de NR 24 TC 0 Z9 0 U1 1 U2 3 PU MDPI AG PI BASEL PA POSTFACH, CH-4005 BASEL, SWITZERLAND SN 1999-4893 J9 ALGORITHMS JI Algorithms PD DEC PY 2015 VL 8 IS 4 BP 850 EP 869 DI 10.3390/a8040850 PG 20 WC Mathematics SC Mathematics GA DA2IK UT WOS:000367618300004 ER PT J AU Diao, S Blackburn, JL Hong, GS Antaris, AL Chang, JL Wu, JZ Zhang, B Cheng, K Kuo, CJ Dai, HJ AF Diao, Shuo Blackburn, Jeffrey L. Hong, Guosong Antaris, Alexander L. Chang, Junlei Wu, Justin Z. Zhang, Bo Cheng, Kai Kuo, Calvin J. Dai, Hongjie TI Fluorescence Imaging In Vivo at Wavelengths beyond 1500 nm SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE cancer; fluorescence; imaging agents; nanotechnology; near infrared ID WALLED CARBON NANOTUBES; NEAR-INFRARED WINDOW; II FLUORESCENCE; MICE; FLUOROPHORES; ULTRASOUND AB Compared to imaging in the visible and nearinfrared regions below 900 nm, imaging in the second nearinfrared window (NIR-II, 1000-1700 nm) is a promising method for deep-tissue high-resolution optical imaging in vivo mainly owing to the reduced scattering of photons traversing through biological tissues. Herein, semiconducting single-walled carbon nanotubes with large diameters were used for in vivo fluorescence imaging in the long-wavelength NIR region (1500-1700 nm, NIR-IIb). With this imaging agent, 3-4 mm wide capillary blood vessels at a depth of about 3 mm could be resolved. Meanwhile, the blood-flow speeds in multiple individual vessels could be mapped simultaneously. Furthermore, NIR-IIb tumor imaging of a live mouse was explored. NIR-IIb imaging can be generalized to a wide range of fluorophores emitting at up to 1700 nm for high-performance in vivo optical imaging. C1 [Diao, Shuo; Hong, Guosong; Antaris, Alexander L.; Wu, Justin Z.; Zhang, Bo; Dai, Hongjie] Stanford Univ, Dept Chem, Stanford, CA 94305 USA. [Blackburn, Jeffrey L.] Natl Renewable Energy Lab, Chem & Mat Sci Ctr, Golden, CO 80401 USA. [Chang, Junlei; Kuo, Calvin J.] Stanford Univ, Sch Med, Div Hematol, Stanford, CA 94305 USA. [Cheng, Kai] Stanford Univ, Sch Med, Dept Radiol, Stanford, CA 94305 USA. [Cheng, Kai] Stanford Univ, Sch Med, Bio X Program, Stanford, CA 94305 USA. RP Dai, HJ (reprint author), Stanford Univ, Dept Chem, Stanford, CA 94305 USA. EM hdai@stanford.edu NR 26 TC 13 Z9 13 U1 33 U2 80 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1433-7851 EI 1521-3773 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PD DEC 1 PY 2015 VL 54 IS 49 BP 14758 EP 14762 DI 10.1002/anie.201507473 PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA DA3UB UT WOS:000367723400025 PM 26460151 ER PT J AU Yang, B Dyck, O Poplawsky, J Keum, J Das, S Puretzky, A Aytug, T Joshi, PC Rouleau, CM Duscher, G Geohegan, DB Xiao, K AF Yang, Bin Dyck, Ondrej Poplawsky, Jonathan Keum, Jong Das, Sanjib Puretzky, Alexander Aytug, Tolga Joshi, Pooran C. Rouleau, Christopher M. Duscher, Gerd Geohegan, David B. Xiao, Kai TI Controllable Growth of Perovskite Films by Room-Temperature Air Exposure for Efficient Planar Heterojunction Photovoltaic Cells SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE air exposure; in situ X-ray diffraction; perovskites; photovoltaic devices; thin films ID SOLAR-CELLS; DEPOSITION; INTERFACE AB A two-step solution processing approach has been established to grow void-free perovskite films for low-cost high-performance planar heterojunction photovoltaic devices. A high-temperature thermal annealing treatment was applied to drive the diffusion of CH3NH3I precursor molecules into a compact PbI2 layer to form perovskite films. However, thermal annealing for extended periods led to degraded device performance owing to the defects generated by decomposition of perovskite into PbI2. A controllable layer-by-layer spin-coating method was used to grow "bilayer" CH3NH3I/PbI2 films, and then drive the interdiffusion between PbI2 and CH3NH3I layers by a simple air exposure at room temperature for making well-oriented, highly crystalline perovskite films without thermal annealing. This high degree of crystallinity resulted in a carrier diffusion length of ca. 800 nm and a high device efficiency of 15.6%, which is comparable to values reported for thermally annealed perovskite films. C1 [Yang, Bin; Poplawsky, Jonathan; Keum, Jong; Puretzky, Alexander; Rouleau, Christopher M.; Geohegan, David B.; Xiao, Kai] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Dyck, Ondrej; Duscher, Gerd] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Das, Sanjib] Univ Tennessee, Dept Elect Engn & Comp Sci, Knoxville, TN 37996 USA. [Aytug, Tolga] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Joshi, Pooran C.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Xiao, K (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. EM xiaok@ornl.gov RI Puretzky, Alexander/B-5567-2016; Yang, Bin/P-8529-2014; Duscher, Gerd/G-1730-2014; Rouleau, Christopher/Q-2737-2015; Geohegan, David/D-3599-2013; Keum, Jong/N-4412-2015 OI Puretzky, Alexander/0000-0002-9996-4429; Yang, Bin/0000-0002-5667-9126; Duscher, Gerd/0000-0002-2039-548X; Rouleau, Christopher/0000-0002-5488-3537; Geohegan, David/0000-0003-0273-3139; Keum, Jong/0000-0002-5529-1373 NR 20 TC 11 Z9 11 U1 4 U2 61 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1433-7851 EI 1521-3773 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PD DEC 1 PY 2015 VL 54 IS 49 BP 14862 EP 14865 DI 10.1002/anie.201505882 PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA DA3UB UT WOS:000367723400047 PM 26486584 ER PT J AU Lee, S Meyer, TL Sohn, C Lee, D Nichols, J Lee, D Seo, SSA Freeland, JW Noh, TW Lee, HN AF Lee, Shinbuhm Meyer, Tricia L. Sohn, Changhee Lee, Donghwa Nichols, John Lee, Dongkyu Seo, Sung S. Ambrose Freeland, John W. Noh, Tae Won Lee, Ho Nyung TI Electronic structure and insulating gap in epitaxial VO2 polymorphs SO APL MATERIALS LA English DT Article ID TRANSITION-METAL OXIDES; VANADIUM DIOXIDE; PHASE-TRANSITION; MOTT-HUBBARD; BAND THEORY; DIFFRACTION; EXCHANGE; PEIERLS; DRIVEN; VIEW AB Determining the origin of the insulating gap in the monoclinic VO2(M1) is a longstanding issue. The difficulty of this study arises from the simultaneous occurrence of structural and electronic transitions upon thermal cycling. Here, we compare the electronic structure of the M1 phase with that of single crystalline insulating VO2(A) and VO2(B) thin films to better understand the insulating phase of VO2. As these A and B phases do not undergo a structural transition upon thermal cycling, we comparatively study the origin of the gap opening in the insulating VO2 phases. By x-ray absorption and optical spectroscopy, we find that the shift of unoccupied t(2g) orbitals away from the Fermi level is a common feature, which plays an important role for the insulating behavior in VO2 polymorphs. The distinct splitting of the half-filled t(2g) orbital is observed only in the M1 phase, widening the bandgap up to similar to 0.6 eV. Our approach of comparing all three insulating VO2 phases provides insight into a better understanding of the electronic structure and the origin of the insulating gap in VO2. (C) 2015 Author(s). C1 [Lee, Shinbuhm; Meyer, Tricia L.; Nichols, John; Lee, Dongkyu; Lee, Ho Nyung] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Sohn, Changhee; Noh, Tae Won] Inst for Basic Sci Korea, Ctr Correlated Electron Syst, Seoul 08826, South Korea. [Sohn, Changhee; Noh, Tae Won] Seoul Natl Univ, Dept Phys & Astron, Seoul 08826, South Korea. [Lee, Donghwa] Chonnam Natl Univ, Sch Mat Sci & Engn, Gwangju 61186, South Korea. [Seo, Sung S. Ambrose] Univ Kentucky, Dept Phys & Astron, Lexington, KY 40506 USA. [Freeland, John W.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Lee, S (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. EM hnlee@ornl.gov RI Lee, Ho Nyung/K-2820-2012; LEE, SHINBUHM/A-9494-2011; Seo, Ambrose/B-6964-2008 OI Lee, Ho Nyung/0000-0002-2180-3975; LEE, SHINBUHM/0000-0002-4907-7362; Seo, Ambrose/0000-0002-7055-5314 FU U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division; National Science Foundation [DMR-1454200]; 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, Basic Energy Sciences, Materials Sciences and Engineering Division. Work for optical spectroscopy was supported by No. IBS-R009-D1. Computational work was supported by the National Institute of Supercomputing and Network/Korea Institute of Science and Technology Information with supercomputing resources including technical support No. KSC-2015-C3-034. Spectroscopic ellipsometry at the University of Kentucky was supported by the National Science Foundation grant DMR-1454200. Work at the Advanced Photon Source was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. NR 52 TC 0 Z9 0 U1 10 U2 32 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 DEC PY 2015 VL 3 IS 12 AR 126109 DI 10.1063/1.4939004 PG 7 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Physics GA DA2BM UT WOS:000367600300010 ER PT J AU Meyer, TL Jiang, L Park, S Egami, T Lee, HN AF Meyer, T. L. Jiang, L. Park, S. Egami, T. Lee, H. N. TI Strain-relaxation and critical thickness of epitaxial La1.85Sr0.15CuO4 films SO APL MATERIALS LA English DT Article ID HIGH-TEMPERATURE SUPERCONDUCTOR; LA2-XSRXCUO4 SINGLE-CRYSTALS; UNIAXIAL PRESSURE-DEPENDENCE; THIN-FILMS; TRANSITION-TEMPERATURE; TC; LA2NIO4+DELTA; CONDUCTIVITY; PLANE AB We report the thickness-dependent strain-relaxation behavior and the associated impacts upon the superconductivity in epitaxial La1.85Sr0.15CuO4 films grown on different substrates, which provide a range of strain. We have found that the critical thickness for the onset of superconductivity in La1.85Sr0.15CuO4 films is associated with the finite thickness effect and epitaxial strain. In particular, thin films with tensile strain greater than similar to 0.25% revealed no superconductivity. We attribute this phenomenon to the inherent formation of oxygen vacancies that can be minimized via strain relaxation. (C) 2015 Author(s). C1 [Meyer, T. L.; Jiang, L.; Park, S.; Egami, T.; Lee, H. N.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Jiang, L.; Egami, T.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Park, S.] Pusan Natl Univ, Dept Phys, Busan 46241, South Korea. [Park, S.; Egami, T.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. RP Meyer, TL (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. EM hnlee@ornl.gov RI Lee, Ho Nyung/K-2820-2012 OI Lee, Ho Nyung/0000-0002-2180-3975 FU U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences, and Engineering Division FX This work was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences, and Engineering Division. S.K.P. was supported in part by NRF Korea (No. 2011-0031933) for his contribution on growth optimization and data analysis. NR 34 TC 1 Z9 1 U1 4 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 DEC PY 2015 VL 3 IS 12 AR 126102 DI 10.1063/1.4937170 PG 6 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Physics GA DA2BM UT WOS:000367600300003 ER PT J AU Rochford, C Medlin, DL Erickson, KJ Siegal, MP AF Rochford, C. Medlin, D. L. Erickson, K. J. Siegal, M. P. TI Controlling compositional homogeneity and crystalline orientation in Bi0.8Sb0.2 thermoelectric thin films SO APL MATERIALS LA English DT Article ID BISMUTH-ANTIMONY ALLOYS; TRANSPORT-PROPERTIES; ELECTRICAL-PROPERTIES; BI1-XSBX NANOWIRES; BI; GROWTH AB Compositional-homogeneity and crystalline-orientation are necessary attributes to achieve high thermoelectric performance in Bi1-xSbx thin films. Following deposition in vacuum, and upon air exposure, we find that 50%-95% of the Sb in 100-nm thick films segregates to form a nanocrystalline Sb2O3 surface layer, leaving the film bulk as Bi-metal. However, we demonstrate that a thin SiN capping layer deposited prior to air exposure prevents Sb-segregation, preserving a uniform film composition. Furthermore, the capping layer enables annealing in forming gas to improve crystalline orientations along the preferred trigonal axis, beneficially reducing electrical resistivity. (C) 2015 Author(s). C1 [Rochford, C.; Siegal, M. P.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Medlin, D. L.; Erickson, K. J.] Sandia Natl Labs, Livermore, CA 94551 USA. RP Rochford, C (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM crochfo@sandia.gov; mpsiega@sandia.gov OI Rochford, Caitlin/0000-0002-5070-209X FU Laboratory Directed Research and Development program at Sandia National Laboratories; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work is 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 Company, for the U.S. Department of Energy's National Nuclear Security Administration under Contract No. DE-AC04-94AL85000. NR 19 TC 0 Z9 0 U1 7 U2 11 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 DEC PY 2015 VL 3 IS 12 AR 126106 DI 10.1063/1.4937894 PG 6 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Physics GA DA2BM UT WOS:000367600300007 ER PT J AU Quan, JN Liu, Q Li, X Gao, Y Jia, XC Sheng, JJ Liu, YG AF Quan, Jiannong Liu, Quan Li, Xia Gao, Yang Jia, Xingcan Sheng, Jiujiang Liu, Yangang TI Effect of heterogeneous aqueous reactions on the secondary formation of inorganic aerosols during haze events SO ATMOSPHERIC ENVIRONMENT LA English DT Article DE Beijing hazes; Heterogeneous aqueous reactions; Inorganic aerosol; Particles size ID NORTH CHINA PLAIN; ATMOSPHERIC BOUNDARY-LAYER; MASS-SPECTROMETER; HIGH-RESOLUTION; RELATIVE-HUMIDITY; EVOLUTION; POLLUTION; IMPACT; CITY; WINTERTIME AB The effect of heterogeneous aqueous reactions on the secondary formation of inorganic aerosols during haze events was investigated by analysis of comprehensive measurements of aerosol composition and concentrations [e.g., particular matters (PM2.5), nitrate (NO3), sulfate (SO4), ammonium (NH4)], gas-phase precursors [e.g., nitrogen oxides (NOx), sulfur dioxide (SO2), and ozone (O-3)], and relevant meteorological parameters [e.g., visibility and relative humidity (RH)]. The measurements were conducted in Beijing, China from Sep. 07, 2012 to Jan. 16, 2013. The results show that the conversion ratios of N from NOx to nitrate (N-ratio) and S from SO2 to sulfate (S-ratio) both significantly increased in haze events, suggesting enhanced conversions from NOx and SO2 to their corresponding particle phases in the late haze period. Further analysis shows that N-ratio and S-ratio increased with increasing RH, with N-ratio and Sratio being only 0.04 and 0.03, respectively, when RH <40%, and increasing up to 0.16 and 0.12 when RH reached 60-80%, respectively. The enhanced conversion ratios of N and S in the late haze period is likely due to heterogeneous aqueous reactions, because solar radiation and thus the photochemical capacity are reduced by the increases in aerosols and RH. This point was further affirmed by the relationships of N-ratio and S-ratio to O-3: the conversion ratios increase with decreasing O-3 concentration when O-3 concentration is lower than <15 ppb but increased with increasing O-3 when O-3 concentration is higher than 15 ppb. The results suggest that heterogeneous aqueous reactions likely changed aerosols and their precursors during the haze events: in the beginning of haze events, the precursor gases accumulated quickly due to high emission and low reaction rate; the occurrence of heterogeneous aqueous reactions in the late haze period, together with the accumulated high concentrations of precursor gases such as SO2 and NOx, accelerated the formation of secondary inorganic aerosols, and led to rapid increase of the PM2.5 concentration. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Quan, Jiannong; Liu, Quan; Li, Xia; Gao, Yang; Jia, Xingcan; Sheng, Jiujiang] Beijing Key Lab Cloud Precipitat & Atmospher Wate, Beijing, Peoples R China. [Quan, Jiannong; Liu, Quan; Sheng, Jiujiang] Chinese Meteorol Adm, Inst Urban Meteorol, Beijing, Peoples R China. [Liu, Yangang] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Quan, JN (reprint author), Beijing Key Lab Cloud Precipitat & Atmospher Wate, Beijing, Peoples R China. EM quanjn1975@gmail.com; liuquan@bjmb.gov.cn RI Liu, Yangang/H-6154-2011 FU Beijing Municipal Science & Technology Commission [Z141100001014017, 8144049]; National Basic Research Program of China [2011CB403401]; National Natural Science Foundation of China [41405127]; US Department of Energy's Atmospheric System Research (ASR) program FX This research is partially supported by Projects of Beijing Municipal Science & Technology Commission under Grant No. Z141100001014017, No. 8144049. This research is also partially supported by the National Basic Research Program of China (2011CB403401) and the National Natural Science Foundation of China (41405127). Y. Liu is supported by the US Department of Energy's Atmospheric System Research (ASR) program. NR 29 TC 6 Z9 7 U1 26 U2 68 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1352-2310 EI 1873-2844 J9 ATMOS ENVIRON JI Atmos. Environ. PD DEC PY 2015 VL 122 BP 306 EP 312 DI 10.1016/j.atmosenv.2015.09.068 PG 7 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA CZ9JJ UT WOS:000367413600031 ER PT J AU Zhu, DZ Gillies, JA Etyemezian, V Nikolich, G Shaw, WJ AF Zhu, Dongzi Gillies, John A. Etyemezian, Vicken Nikolich, George Shaw, William J. TI Evaluation of the surface roughness effect on suspended particle deposition near unpaved roads SO ATMOSPHERIC ENVIRONMENT LA English DT Article DE Atmospheric deposition; Fugitive dust; Near-source deposition; Road dust; PM10 ID GENERATED FUGITIVE DUST; ATMOSPHERIC-TURBULENCE; PARTICULATE MATTER; CHANNEL FLOW; DISPERSION; MODEL; VEGETATION; EMISSIONS AB The downwind transport and deposition of suspended dust raised by a vehicle driving on unpaved roads was studied for four differently vegetated surfaces in the USA states of Kansas and Washington, and one barren surface in Nevada. A 10 m high tower adjacent to the source (10 m downwind) and an array of multi-channel optical particle counters at three positions downwind of the source measured the flux of particles and the particle size distribution in the advecting dust plumes in the horizontal and vertical directions. Aerodynamic parameters such as friction velocity (u*) and surface roughness length (z(0)) were calculated from wind speed measurements made on the tower. Particle number concentration, PM10 mass exhibited an exponential decay along the direction of transport. Coarse particles accounted for approximate to 95% of the PM10 mass, at least to a downwind distance of 200 m from the source. PM10 removed by deposition was found to increase with increasing particle size and increasing surface roughness under similar moderate wind speed conditions. The surface of dense, long grass (1.2 m high and complete surface cover) had the greatest reduction of PM10 among the five surfaces tested due to deposition induced by turbulence effects created by the rougher surface and by enhanced particle impaction/interception effects to the grass blades. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Zhu, Dongzi; Gillies, John A.] Desert Res Inst, Reno, NV 89512 USA. [Etyemezian, Vicken; Nikolich, George] Desert Res Inst, Las Vegas, NV 89119 USA. [Shaw, William J.] Pacific NW Natl Lab, Richland, WA 99354 USA. RP Zhu, DZ (reprint author), Desert Res Inst, 2215 Raggio Pkwy, Reno, NV 89512 USA. EM zhu@dri.edu OI Shaw, William/0000-0002-9979-1089 FU Strategic Environmental Research and Development Program [RC-1729] FX This work was sponsored by the Strategic Environmental Research and Development Program (Project RC-1729). Many thanks to those who participated in the field work from the Pacific Northwest National Laboratory, Richland WA. We would also like to thank U.S. Army, Ft. Riley, KS for their logistical support during the field measurement campaign there. NR 35 TC 0 Z9 0 U1 7 U2 14 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1352-2310 EI 1873-2844 J9 ATMOS ENVIRON JI Atmos. Environ. PD DEC PY 2015 VL 122 BP 541 EP 551 DI 10.1016/j.atmosenv.2015.10.009 PG 11 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA CZ9JJ UT WOS:000367413600056 ER PT J AU Christov, IC AF Christov, Ivan C. TI Comment on "The velocity field due to an oscillating plate in an Oldroyd-B fluid" by CC Hopkins and JR de Bruyn [Can. J. Phys. 92, 533 (2014)] SO CANADIAN JOURNAL OF PHYSICS LA English DT Editorial Material DE non-Newtonian fluid; start-up problem; continuum mechanics; Laplace transform; differential equations ID UNSTEADY UNIDIRECTIONAL FLOWS; STARTING SOLUTIONS; 2ND-GRADE FLUID AB We correct certain errors and ambiguities in the recent pedagogical article by Hopkins and de Bruyn (Can. J. Phys. 92, 533 (2014). doi:10.1139/cjp-2013-0334). The early-time asymptotics of the solution to the transient version of Stokes' second problem for an Oldroyd-B fluid in a half-space is presented, as Appendix A, to complement the late-time asymptotics given by Hopkins and de Bruyn. C1 [Christov, Ivan C.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Christov, Ivan C.] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. RP Christov, IC (reprint author), Los Alamos Natl Lab, Div Theoret, POB 1663, Los Alamos, NM 87545 USA. EM christov@alum.mit.edu RI Christov, Ivan/B-9418-2008 OI Christov, Ivan/0000-0001-8531-0531 NR 15 TC 0 Z9 0 U1 0 U2 3 PU CANADIAN SCIENCE PUBLISHING, NRC RESEARCH PRESS PI OTTAWA PA 65 AURIGA DR, SUITE 203, OTTAWA, ON K2E 7W6, CANADA SN 0008-4204 EI 1208-6045 J9 CAN J PHYS JI Can. J. Phys. PD DEC PY 2015 VL 93 IS 12 BP 1651 EP 1652 DI 10.1139/cjp-2015-0374 PG 2 WC Physics, Multidisciplinary SC Physics GA DA2GQ UT WOS:000367613700032 ER PT J AU Tao, SX Theulings, AMMG Prodanovic, V Smedley, J van der Graaf, H AF Tao, Shu Xia Theulings, Anne M. M. G. Prodanovic, Violeta Smedley, John van der Graaf, Harry TI Optical Properties of Silicon-Rich Silicon Nitride (SixNyHz) from First Principles SO COMPUTATION LA English DT Article DE DFT simulation; optical property; electron loss spectrum; silicon rich silicon nitride; secondary electron emission ID TOTAL-ENERGY CALCULATIONS; AUGMENTED-WAVE METHOD; ELECTRON-AFFINITY; BASIS-SET; BETA-SI3N4; DFT AB The real and imaginary parts of the complex refractive index of SixNyHz have been calculated from first principles. Optical spectra for reflectivity, absorption coefficient, energy-loss function (ELF), and refractive index were obtained. The results for Si3N4 are in agreement with the available theoretical and experimental results. To understand the electron energy loss mechanism in Si-rich silicon nitride, the influence of the Si/N ratio, the positions of the access Si atoms, and H in and on the surface of the ELF have been investigated. It has been found that all defects, such as dangling bonds in the bulk and surfaces, increase the intensity of the ELF in the low energy range (below 10 eV). H in the bulk and on the surface has a healing effect, which can reduce the intensity of the loss peaks by saturating the dangling bonds. Electronic structure analysis has confirmed the origin of the changes in the ELF. It has demonstrated that the changes in ELF are not only affected by the composition but also by the microstructures of the materials. The results can be used to tailor the optical properties, in this case the ELF of Si-rich Si3N4, which is essential for secondary electron emission applications. C1 [Tao, Shu Xia; Theulings, Anne M. M. G.; Prodanovic, Violeta; van der Graaf, Harry] Natl Inst Subat Phys, NL-1098 XG Amsterdam, Netherlands. [Tao, Shu Xia; Theulings, Anne M. M. G.; Prodanovic, Violeta; van der Graaf, Harry] Delft Univ Technol TNW, Fac Sci Appl, Charged Particle Opt, NL-2629 JB Delft, Netherlands. [Smedley, John] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Tao, SX (reprint author), Natl Inst Subat Phys, Nikhef Sci Pk 105, NL-1098 XG Amsterdam, Netherlands. EM sxtao@nikhef.nl; ammgt@nikhef.nl; V.Prodanovic@tudelft.nl; smedley@bnl.gov; vdgraaf@nikhef.nl NR 32 TC 2 Z9 2 U1 4 U2 8 PU MDPI AG PI BASEL PA POSTFACH, CH-4005 BASEL, SWITZERLAND SN 2079-3197 J9 COMPUTATION JI Computation PD DEC PY 2015 VL 3 IS 4 BP 657 EP 669 DI 10.3390/computation3040657 PG 13 WC Mathematics, Interdisciplinary Applications SC Mathematics GA DA2DK UT WOS:000367605300009 ER PT J AU Conte, TM Track, E DeBenedictis, E AF Conte, Thomas M. Track, Elie DeBenedictis, Erik TI Rebooting Computing: New Strategies for Technology Scaling SO COMPUTER LA English DT Editorial Material C1 [Conte, Thomas M.] Georgia Tech, Sch Comp Sci Engn, Atlanta, GA 30332 USA. [Conte, Thomas M.] Georgia Tech, Sch Elect & Comp Engn, Atlanta, GA USA. [Track, Elie] nVizix, Stamford, CT USA. [DeBenedictis, Erik] Sandia Natl Labs, Nonconvent Comp Technol Dept, Livermore, CA 94550 USA. RP Conte, TM (reprint author), Georgia Tech, Sch Comp Sci Engn, Atlanta, GA 30332 USA. EM conte@gatech.edu; elie.track@nvizix.com; epdeben@sandia.gov NR 0 TC 1 Z9 1 U1 0 U2 0 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA SN 0018-9162 EI 1558-0814 J9 COMPUTER JI Computer PD DEC PY 2015 VL 48 IS 12 BP 10 EP 13 PG 4 WC Computer Science, Hardware & Architecture; Computer Science, Software Engineering SC Computer Science GA DA3IC UT WOS:000367689400003 ER PT J AU Shalf, JM Leland, R AF Shalf, John M. Leland, Robert TI Computing beyond Moore's Law SO COMPUTER LA English DT Article ID CARBON NANOTUBES; ELECTRONICS C1 [Shalf, John M.] Lawrence Berkeley Natl Lab, Natl Energy Res Supercomp Ctr, Berkeley, CA 94309 USA. [Shalf, John M.] Lawrence Berkeley Natl Lab, Dept Comp Sci, Berkeley, CA USA. [Leland, Robert] Sandia Natl Labs, Sci & Technol, Livermore, CA 94550 USA. RP Shalf, JM (reprint author), Lawrence Berkeley Natl Lab, Natl Energy Res Supercomp Ctr, Berkeley, CA 94309 USA. EM jshalf@lbl.gov; leland@sandia.gov NR 17 TC 5 Z9 5 U1 4 U2 31 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA SN 0018-9162 EI 1558-0814 J9 COMPUTER JI Computer PD DEC PY 2015 VL 48 IS 12 BP 14 EP 23 PG 10 WC Computer Science, Hardware & Architecture; Computer Science, Software Engineering SC Computer Science GA DA3IC UT WOS:000367689400004 ER PT J AU Fleetwood, D Brown, D Girard, S Gouker, P Gerardin, S Quinn, H Barnaby, H AF Fleetwood, Dan Brown, Dennis Girard, Sylvain Gouker, Pascale Gerardin, Simone Quinn, Heather Barnaby, Hugh TI 2015 Special NSREC Issue of the IEEE TRANSACTIONS ON NUCLEAR SCIENCE Comments by the Editors SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Editorial Material C1 [Fleetwood, Dan] Vanderbilt Univ, Nashville, TN 37235 USA. [Brown, Dennis] IEEE NPSS, Padua, Italy. [Girard, Sylvain] Univ St Etienne, St Etienne, France. [Gouker, Pascale] MIT Lincoln Lab, Lexington, MA USA. [Gerardin, Simone] Univ Padua, I-35100 Padua, Italy. [Quinn, Heather] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Barnaby, Hugh] Arizona State Univ, Tempe, AZ 85287 USA. RP Fleetwood, D (reprint author), Vanderbilt Univ, Nashville, TN 37235 USA. NR 0 TC 0 Z9 0 U1 4 U2 7 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9499 EI 1558-1578 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD DEC PY 2015 VL 62 IS 6 BP 2378 EP 2378 DI 10.1109/TNS.2015.2502479 PN 1 PG 1 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA DA3WW UT WOS:000367732600002 ER PT J AU Wang, L Zhang, EX Schrimpf, RD Fleetwood, DM Duan, GX Hachtel, JA Zhang, CX Reed, RA Samsel, IK Alles, ML Witters, L Collaert, N Linten, D Mitard, J Chisholm, MF Pantelides, ST Galloway, KF AF Wang, Liang Zhang, En Xia Schrimpf, Ronald D. Fleetwood, Daniel M. Duan, Guo Xing Hachtel, Jordan A. Zhang, Cher Xuan Reed, Robert A. Samsel, Isaak K. Alles, Michael L. Witters, Liesbeth Collaert, Nadine Linten, Dimitri Mitard, Jerome Chisholm, Matthew F. Pantelides, Sokrates T. Galloway, Kenneth F. TI Total Ionizing Dose Effects on Ge Channel pFETs with Raised Si0.55Ge0.45 Source/Drain SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article; Proceedings Paper CT 52nd IEEE Nuclear and Space Radiation Effects Conference (NSREC) CY JUL 13-17, 2015 CL Boston, MA SP IEEE, IEEE Nucl & Plasma Sci Soc, Radiat Effects Comm DE Ge pFET; negative bias temperature instability (NBTI); radiation-induced leakage; threshold-voltage shift; total ionizing dose (TID); transconductance degradation ID BIAS TEMPERATURE INSTABILITY; NBTI RELIABILITY; MOS DEVICES; PMOSFETS; STACK; DEPENDENCE; RADIATION; SIGE AB The total ionizing dose response of Ge channel pFETs with raised Si0.55Ge0.45 source/drain is investigated under different radiation bias conditions. Threshold-voltage shifts and transconductance degradation are noticeable only for negative-bias (ON state) irradiation, and are mainly due to negative bias-temperature instability (NBTI). Nonmonotonic leakage changes during irradiation are observed, which are attributed to the competition of radiation-induced field transistor leakage and S/D junction leakage. C1 [Wang, Liang; Zhang, En Xia; Schrimpf, Ronald D.; Fleetwood, Daniel M.; Duan, Guo Xing; Zhang, Cher Xuan; Reed, Robert A.; Samsel, Isaak K.; Alles, Michael L.; Galloway, Kenneth F.] Vanderbilt Univ, Dept Elect Engn & Comp Sci, Nashville, TN 37235 USA. [Hachtel, Jordan A.; Pantelides, Sokrates T.] Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. [Witters, Liesbeth; Collaert, Nadine; Linten, Dimitri; Mitard, Jerome] IMEC, B-3001 Leuven, Belgium. [Chisholm, Matthew F.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Wang, L (reprint author), Beijing Microelect Technol Inst, Beijing 100076, Peoples R China. EM wangliang150200@163.com; enxia.zhang@vanderbilt.edu RI Hachtel, Jordan/R-1263-2016 OI Hachtel, Jordan/0000-0002-9728-0920 FU Air Force Office of Scientific Research; Air Force Research Laboratory through its Hi-REV program; Defense Threat Reduction Agency; U.S. Department of Energy, Basic Energy Sciences, Materials Science and Engineering Division FX This work was supported in part by the Air Force Office of Scientific Research, by the Air Force Research Laboratory through its Hi-REV program and by the Defense Threat Reduction Agency through its basic research program. Work at ORNL was supported by the U.S. Department of Energy, Basic Energy Sciences, Materials Science and Engineering Division. NR 19 TC 1 Z9 1 U1 2 U2 12 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9499 EI 1558-1578 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD DEC PY 2015 VL 62 IS 6 BP 2412 EP 2416 DI 10.1109/TNS.2015.2489019 PN 1 PG 5 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA DA3WW UT WOS:000367732600007 ER PT J AU Dodds, NA Martinez, MJ Dodd, PE Shaneyfelt, MR Sexton, FW Black, JD Lee, DS Swanson, SE Bhuva, BL Warren, KM Reed, RA Trippe, J Sierawski, BD Weller, RA Mahatme, N Gaspard, NJ Assis, T Austin, R Weeden-Wright, SL Massengill, LW Swift, G Wirthlin, M Cannon, M Liu, R Chen, L Kelly, AT Marshall, PW Trinczek, M Blackmore, EW Wen, SJ Wong, R Narasimham, B Pellish, JA Puchner, H AF Dodds, N. A. Martinez, M. J. Dodd, P. E. Shaneyfelt, M. R. Sexton, F. W. Black, J. D. Lee, D. S. Swanson, S. E. Bhuva, B. L. Warren, K. M. Reed, R. A. Trippe, J. Sierawski, B. D. Weller, R. A. Mahatme, N. Gaspard, N. J. Assis, T. Austin, R. Weeden-Wright, S. L. Massengill, L. W. Swift, G. Wirthlin, M. Cannon, M. Liu, R. Chen, L. Kelly, A. T. Marshall, P. W. Trinczek, M. Blackmore, E. W. Wen, S. -J. Wong, R. Narasimham, B. Pellish, J. A. Puchner, H. TI The Contribution of Low-Energy Protons to the Total On-Orbit SEU Rate SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article; Proceedings Paper CT 52nd IEEE Nuclear and Space Radiation Effects Conference (NSREC) CY JUL 13-17, 2015 CL Boston, MA SP IEEE, IEEE Nucl & Plasma Sci Soc, Radiat Effects Comm DE Angular effects; error rate prediction; proton direct ionization; secondary protons; single-event effects (SEEs) ID SINGLE-EVENT-UPSET; NM SOI SRAM; HARDNESS ASSURANCE; ION ENERGY; IMPACT; PREDICTIONS; CODE AB Low- and high-energy proton experimental data and error rate predictions are presented for many bulk Si and SOI circuits from the 20-90 nm technology nodes to quantify how much low-energy protons (LEPs) can contribute to the total on-orbit single-event upset (SEU) rate. Every effort was made to predict LEP error rates that are conservatively high; even secondary protons generated in the spacecraft shielding have been included in the analysis. Across all the environments and circuits investigated, and when operating within 10% of the nominal operating voltage, LEPs were found to increase the total SEU rate to up to 4.3 times as high as it would have been in the absence of LEPs. Therefore, the best approach to account for LEP effects may be to calculate the total error rate from high-energy protons and heavy ions, and then multiply it by a safety margin of 5. If that error rate can be tolerated then our findings suggest that it is justified to waive LEP tests in certain situations. Trends were observed in the LEP angular responses of the circuits tested. Grazing angles were the worst case for the SOI circuits, whereas the worst-case angle was at or near normal incidence for the bulk circuits. C1 [Dodds, N. A.; Martinez, M. J.; Dodd, P. E.; Shaneyfelt, M. R.; Sexton, F. W.; Black, J. D.; Lee, D. S.; Swanson, S. E.] Sandia Natl Labs, Albuquerque, NM 87123 USA. [Bhuva, B. L.; Warren, K. M.; Reed, R. A.; Trippe, J.; Sierawski, B. D.; Weller, R. A.; Mahatme, N.; Gaspard, N. J.; Assis, T.; Austin, R.; Weeden-Wright, S. L.; Massengill, L. W.] Vanderbilt Univ, Nashville, TN 37235 USA. [Swift, G.] Swift Engn & Radiat Serv, San Jose, CA 95124 USA. [Wirthlin, M.; Cannon, M.] Brigham Young Univ, Provo, UT 84602 USA. [Liu, R.; Chen, L.] Univ Saskatchewan, Saskatoon, SK S7N 5A2, Canada. [Kelly, A. T.] BAE Syst, Manassas, VA 20110 USA. [Marshall, P. W.] US Naval Res Lab, Brookneal, VA 24528 USA. [Trinczek, M.; Blackmore, E. W.] TRIUMF, Vancouver, BC V6T 2A3, Canada. [Wen, S. -J.; Wong, R.] Cisco Syst, San Jose, CA 95134 USA. [Narasimham, B.] Broadcom Corp, Irvine, CA 92617 USA. [Pellish, J. A.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. [Puchner, H.] Cypress Semicond Inc, San Jose, CA 95134 USA. RP Dodds, NA (reprint author), Sandia Natl Labs, Albuquerque, NM 87123 USA. EM nadodds@sandia.gov FU TRIUMF through the National Research Council of Canada; Laboratory Directed Research and Development program at Sandia National Laboratories; U.S. Department of Energy [DE-AC04-94AL85000] FX This work was supported in part by TRIUMF, which receives funding via a contribution agreement through the National Research Council of Canada, and by the Laboratory Directed Research and Development program at Sandia National Laboratories, a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the U.S. Department of Energy, under contract DE-AC04-94AL85000. BAE Systems content approved for public release under ES-ISR-062515-0457. NR 34 TC 4 Z9 4 U1 1 U2 4 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9499 EI 1558-1578 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD DEC PY 2015 VL 62 IS 6 BP 2440 EP 2451 DI 10.1109/TNS.2015.2486763 PN 1 PG 12 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA DA3WW UT WOS:000367732600011 ER PT J AU Khachatrian, A Roche, NJH Dodds, NA McMorrow, D Warner, JH Buchner, SP Reed, RA AF Khachatrian, Ani Roche, Nicolas J-H. Dodds, Nathaniel A. McMorrow, Dale Warner, Jeffrey H. Buchner, Stephen P. Reed, Robert A. TI The Impact of Metal Line Reflections on Through-Wafer TPA SEE Testing SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article; Proceedings Paper CT 52nd IEEE Nuclear and Space Radiation Effects Conference (NSREC) CY JUL 13-17, 2015 CL Boston, MA SP IEEE, IEEE Nucl & Plasma Sci Soc, Radiat Effects Comm DE Charge generation; charge-collection enhancement; etalon effect; laser testing; multiple reflections; reflected laser light intensity; TPA; transmitted laser intensity; two-photon absorption ID 2-PHOTON ABSORPTION; CARRIER GENERATION; SIMULATION; SILICON AB Charge-collection experiments and simulations designed to quantify the effects of reflections from metallization during through-wafer TPA testing are presented. The results reveal a strong dependence on metal line width and metal line position inside the SiO2 overlayer. The charge-collection enhancement is largest for the widest metal lines and the metal lines closest to the Si/SiO2 interface. The charge-collection enhancement is also dependent on incident laser pulse energy, an effect that is a consequence of higher-order optical nonlinearities induced by the ultrashort optical pulses. However, for the lines further away from the Si/SiO2 interface, variations in laser pulse energies affect the charge-collection enhancement to a lesser degree. Z-scan measurements reveal that the peak charge collection occurs when the axial position of the laser focal point is inside the Si substrate. There is a downward trend in peak collected-charge enhancement with the increase in laser pulse energies for the metal lines further away from the Si/SiO2 interface. Metallization enhances the collected charge by same amount regardless of the applied bias voltage. For thinner metal lines and laser pulse energies lower than 1 nJ, the collected charge enhancement due to metallization is negligible. C1 [Khachatrian, Ani] Sotera Def Solut, Herndon, VA 20171 USA. [Khachatrian, Ani; Roche, Nicolas J-H.; McMorrow, Dale; Warner, Jeffrey H.; Buchner, Stephen P.] US Naval Res Lab, Washington, DC 20375 USA. [Roche, Nicolas J-H.] George Washington Univ, Washington, DC 20052 USA. [Dodds, Nathaniel A.] Sandia Natl Labs, Albuquerque, NM 87123 USA. [Reed, Robert A.] Vanderbilt Univ, Nashville, TN 37235 USA. RP Khachatrian, A (reprint author), Sotera Def Solut, Herndon, VA 20171 USA. EM ani.khachatrian.ctr@nrl.navy.mil; nicolas.roche.ctr.fr@nrl.navy.mil; nadodds@sandia.gov; robert.reed@vanderbilt.edu FU DTRA Radiation Hardened Microelectronics Program; Office of Naval Research; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was supported by the DTRA Radiation Hardened Microelectronics Program and the Office of Naval Research. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 10 TC 0 Z9 0 U1 1 U2 2 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9499 EI 1558-1578 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD DEC PY 2015 VL 62 IS 6 BP 2452 EP 2457 DI 10.1109/TNS.2015.2500731 PN 1 PG 6 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA DA3WW UT WOS:000367732600012 ER PT J AU Cardoza, D LaLumondiere, SD Wells, NP Tockstein, MA Brewe, DL Lotshaw, WT Moss, SC AF Cardoza, David LaLumondiere, Stephen D. Wells, Nathan P. Tockstein, Michael A. Brewe, Dale L. Lotshaw, William T. Moss, Steven C. TI Investigating Pulsed X-ray Induced SEE in Analog Microelectronic Devices SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article; Proceedings Paper CT 52nd IEEE Nuclear and Space Radiation Effects Conference (NSREC) CY JUL 13-17, 2015 CL Boston, MA SP IEEE, IEEE Nucl & Plasma Sci Soc, Radiat Effects Comm DE Integrated circuit reliability; radiation hardening; semiconductor device reliability; single event effects; single event transients; synchrotron radiation; x-ray applications ID SINGLE-EVENT TRANSIENTS; LM124 OPERATIONAL-AMPLIFIER; RESOLVED SYNCHROTRON EXPERIMENTS; 2-PHOTON ABSORPTION; LINEAR CIRCUITS; ION MICROBEAM; SHUTTER; LIGHT AB We investigate analog single event transient (ASET) generation in an LM124 operational amplifier using focused pulsed x-rays and 800 nm femtosecond laser pulses. We report improvements that have been made to the pulsed x-ray experimental apparatus which include normal incidence geometry and a high speed x-ray chopper that allows us to reduce the pulse repetition frequency of the synchrotron derived x-ray pulse train. The addition of the chopper allows us to measure ASETs that have long relaxation times. We show that ASETs can be generated through metallization on the LM124, and that for equivalent pulse energy incident on the part, the x-ray response from areas covered by metal (and inaccessible to the laser) are different than the x-ray response from areas with no metallization, i.e. "metal-free". We use the laser pulses to generate ASETs at the same metal-free locations of x-ray induced ASETs. The shapes of the ASETs generated by the two methods are compared. We use the differences seen from the two generation methods to estimate the charge generation/collection produced by the pulsed x-rays and then estimate what LET this would correspond to for heavy ions. This work shows that pulsed x-rays can be used to characterize analog devices for single event effects. C1 [Cardoza, David; LaLumondiere, Stephen D.; Wells, Nathan P.; Lotshaw, William T.] Aerosp Corp, Photon Technol Dept, Elect & Photon Lab, Phys Sci Labs, Los Angeles, CA 90009 USA. [Tockstein, Michael A.; Moss, Steven C.] Aerosp Corp, Microelect Technol Dept, Elect & Photon Lab, Phys Sci Labs, Los Angeles, CA 90009 USA. [Brewe, Dale L.] Argonne Natl Lab, Adv Photon Source, PNC XSD Facil Sect 20, Argonne, IL 60439 USA. RP Cardoza, D (reprint author), Aerosp Corp, Photon Technol Dept, Elect & Photon Lab, Phys Sci Labs, Los Angeles, CA 90009 USA. EM David.M.Cardoza@aero.org FU Independent Research and Development Program at The Aerospace Corporation; US Department of Energy-Basic Energy Sciences; Canadian Light Source; University of Washington; Advanced Photon Source; U.S. DOE [DE-AC02-06CH11357] FX This work was supported in part by the Independent Research and Development Program at The Aerospace Corporation. PNC/XSD facilities at the Advanced Photon Source, and research at these facilities, are supported by the US Department of Energy-Basic Energy Sciences, the Canadian Light Source and its funding partners, the University of Washington and the Advanced Photon Source. 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 36 TC 1 Z9 1 U1 1 U2 2 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9499 EI 1558-1578 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD DEC PY 2015 VL 62 IS 6 BP 2458 EP 2467 DI 10.1109/TNS.2015.2498100 PN 1 PG 10 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA DA3WW UT WOS:000367732600013 ER PT J AU Quinn, H Baker, Z Fairbanks, T Tripp, JL Duran, G AF Quinn, Heather Baker, Zachary Fairbanks, Tom Tripp, Justin L. Duran, George TI Software Resilience and the Effectiveness of Software Mitigation in Microcontrollers SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article; Proceedings Paper CT 52nd IEEE Nuclear and Space Radiation Effects Conference (NSREC) CY JUL 13-17, 2015 CL Boston, MA SP IEEE, IEEE Nucl & Plasma Sci Soc, Radiat Effects Comm DE Soft errors; software; software fault diagnosis; software fault tolerance ID CONTROL-FLOW CHECKING; FAULT-TOLERANCE AB Commercially available microprocessors could be useful to the space community for noncritical computations. There are many possible components that are smaller, lower-power, and less expensive than traditional radiation-hardened microprocessors. Many commercial microprocessors have issues with single-event effects (SEEs), such as single-event upsets (SEUs) and single-event transients (SETs), that can cause the microprocessor to calculate an incorrect result or crash. In this paper we present the Trikaya technique for masking SEUs and SETs through software mitigation techniques. Test results show that this technique can be very effective at masking errors, making it possible to fly these microprocessors for a variety of missions. C1 [Quinn, Heather; Baker, Zachary; Fairbanks, Tom; Tripp, Justin L.; Duran, George] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Quinn, H (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM hquinn@lanl.gov NR 20 TC 1 Z9 1 U1 2 U2 7 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9499 EI 1558-1578 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD DEC PY 2015 VL 62 IS 6 BP 2532 EP 2538 DI 10.1109/TNS.2015.2496342 PN 1 PG 7 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA DA3WW UT WOS:000367732600023 ER PT J AU Quinn, H Robinson, WH Rech, P Aguirre, M Barnard, A Desogus, M Entrena, L Garcia-Valderas, M Guertin, SM Kaeli, D Kastensmidt, FL Kiddie, BT Sanchez-Clemente, A Reorda, MS Sterpone, L Wirthlin, M AF Quinn, Heather Robinson, William H. Rech, Paolo Aguirre, Miguel Barnard, Arno Desogus, Marco Entrena, Luis Garcia-Valderas, Mario Guertin, Steven M. Kaeli, David Kastensmidt, Fernanda Lima Kiddie, Bradley T. Sanchez-Clemente, Antonio Reorda, Matteo Sonza Sterpone, Luca Wirthlin, Michael TI Using Benchmarks for Radiation Testing of Microprocessors and FPGAs SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article; Proceedings Paper CT 52nd IEEE Nuclear and Space Radiation Effects Conference (NSREC) CY JUL 13-17, 2015 CL Boston, MA SP IEEE, IEEE Nucl & Plasma Sci Soc, Radiat Effects Comm DE Field-programmable gate arrays (FPGAs); soft error rates; soft errors; software fault tolerance ID FAULT-TOLERANCE; SEU; SYSTEMS; DESIGN; LEVEL; CMOS; TOOL AB Performance benchmarks have been used over the years to compare different systems. These benchmarks can be useful for researchers trying to determine how changes to the technology, architecture, or compiler affect the system's performance. No such standard exists for systems deployed into high radiation environments, making it difficult to assess whether changes in the fabrication process, circuitry, architecture, or software affect reliability or radiation sensitivity. In this paper, we propose a benchmark suite for high-reliability systems that is designed for field-programmable gate arrays and microprocessors. We describe the development process and report neutron test data for the hardware and software benchmarks. C1 [Quinn, Heather] Los Alamos Natl Lab, ISR Space Data Syst 3, Los Alamos, NM 87545 USA. [Robinson, William H.; Kiddie, Bradley T.] Vanderbilt Univ, Dept Elect Engn & Comp Sci, Nashville, TN 37235 USA. [Rech, Paolo; Kastensmidt, Fernanda Lima] Univ Fed Rio Grande do Sul, Inst Informat, BR-91501970 Porto Alegre, RS, Brazil. [Barnard, Arno] Univ Stellenbosch, ZA-7602 Stellenbosch, South Africa. [Aguirre, Miguel] Univ Seville, Seville 41004, Spain. [Desogus, Marco; Reorda, Matteo Sonza; Sterpone, Luca] Politecn Torino, I-10129 Turin, TO, Italy. [Entrena, Luis; Garcia-Valderas, Mario; Sanchez-Clemente, Antonio] Univ Carlos III Madrid, Madrid 28911, Spain. [Guertin, Steven M.] CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. [Kiddie, Bradley T.] Northeastern Univ, Elect & Comp Engn, Boston, MA 02115 USA. [Wirthlin, Michael] Brigham Young Univ, Dept Elect & Comp Engn, NSF Ctr High Performance Reconfigurable Comp CHRE, Provo, UT 84602 USA. RP Quinn, H (reprint author), Los Alamos Natl Lab, ISR Space Data Syst 3, POB 1663, Los Alamos, NM 87545 USA. EM hquinn@lanl.gov OI Entrena, Luis/0000-0001-6021-165X NR 38 TC 4 Z9 4 U1 1 U2 2 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9499 EI 1558-1578 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD DEC PY 2015 VL 62 IS 6 BP 2547 EP 2554 DI 10.1109/TNS.2015.2498313 PN 1 PG 8 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA DA3WW UT WOS:000367732600025 ER PT J AU Lee, DS Swift, GM Wirthlin, MJ Draper, J AF Lee, David S. Swift, Gary M. Wirthlin, Michael J. Draper, Jeffrey TI Addressing Angular Single-Event Effects in the Estimation of On-Orbit Error Rates SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article; Proceedings Paper CT 52nd IEEE Nuclear and Space Radiation Effects Conference (NSREC) CY JUL 13-17, 2015 CL Boston, MA SP IEEE, IEEE Nucl & Plasma Sci Soc, Radiat Effects Comm DE Multiple bit upset; multiple cell upset; radiation effects; single event effects ID MULTIPLE-BIT UPSETS; CMOS TECHNOLOGY; MULTIBIT UPSETS; SRAMS; MICROELECTRONICS AB This study describes complications introduced by angular direct ionization events on space error rate predictions. In particular, prevalence of multiple-cell upsets and a breakdown in the application of effective linear energy transfer in modern-scale devices can skew error rates approximated from currently available estimation models. This paper highlights the importance of angular testing and proposes a methodology to extend existing error estimation tools to properly consider angular strikes in modern-scale devices. These techniques are illustrated with test data provided from a modern 28 nm SRAM-based device. C1 [Lee, David S.] Sandia Natl Labs, Albuquerque, NM 87123 USA. [Swift, Gary M.] Swift Engn & Radiat Serv LLC, San Jose, CA 95124 USA. [Wirthlin, Michael J.] Brigham Young Univ, Ctr High Performance Reconfigurable Comp, Dept Elect & Comp Engn, Provo, UT 84602 USA. [Draper, Jeffrey] Univ So Calif, Inst Informat Sci, Ming Hsieh Dept Elect Engn, Marina Del Rey, CA 90292 USA. RP Lee, DS (reprint author), Sandia Natl Labs, Albuquerque, NM 87123 USA. EM dslee@sandia.gov; gary@swiftradiation.com; wirthlin@byu.edu; draper@isi.edu FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; I/UCRC Program of the National Science Foundation [1265957] FX This work was supported in part by the Laboratory Directed Research and Development Program at Sandia National Laboratories, 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 and in part by the I/UCRC Program of the National Science Foundation under Grant 1265957. Unclassified, unlimited release under SAND2015-5557C. All trademarks, service marks, and trade names are the property of their respective owners. NR 18 TC 0 Z9 0 U1 1 U2 1 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9499 EI 1558-1578 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD DEC PY 2015 VL 62 IS 6 BP 2563 EP 2569 DI 10.1109/TNS.2015.2498641 PN 1 PG 7 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA DA3WW UT WOS:000367732600027 ER PT J AU Fleetwood, ZE Lourenco, NE Ildefonso, A England, TD Song, I Schmid, RL Cardoso, AS Jung, S Roche, NJH Khachatrian, A Buchner, SP McMorrow, D Warner, J Paki, P Cressler, JD AF Fleetwood, Zachary E. Lourenco, Nelson E. Ildefonso, Adrian England, Troy D. Song, Ickhyun Schmid, Robert L. Cardoso, Adilson S. Jung, Seungwoo Roche, Nicolas J-H. Khachatrian, Ani Buchner, Steven P. McMorrow, Dale Warner, Jeffrey Paki, Pauline Cressler, John D. TI An Investigation of the SET Response of Devices and Differential Pairs in a 32-nm SOI CMOS Technology SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article; Proceedings Paper CT 52nd IEEE Nuclear and Space Radiation Effects Conference (NSREC) CY JUL 13-17, 2015 CL Boston, MA SP IEEE, IEEE Nucl & Plasma Sci Soc, Radiat Effects Comm DE Active load (AL); body-connected (BC); differential pair (diff. pair); floating body (FB); resistive load (RL); silicon-on-insulator (SOI); single event effect (SEE) ID 2-PHOTON ABSORPTION; CARRIER GENERATION; SIMULATION AB The single event effect (SEE) response of devices and differential pairs in a 32-nm SOI CMOS technology is explored using laser-induced carrier injection and TCAD simulations. Both nFETs and pFETs in this technology exhibit similar sensitive area to laser-induced SEE and are strongly dependent on the drain bias condition. TCAD simulations were conducted in order to confirm results and utilize a 3-D mixed-mode simulation approach to more accurately model testing conditions. The differential pair (diff. pair) circuit SEE response extends the discussion to include the use of these devices in a core analog/RF circuit block. The analysis includes the use of floating body (FB) and body-connected (BC) devices. Body-connected FETs tend to exhibit a transient response that is much shorter in duration when compared directly to its floating body counterpart. C1 [Fleetwood, Zachary E.; Lourenco, Nelson E.; Ildefonso, Adrian; Song, Ickhyun; Cardoso, Adilson S.; Jung, Seungwoo; Cressler, John D.] Georgia Inst Technol, Sch Elect & Comp Engn, Atlanta, GA 30332 USA. [England, Troy D.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Schmid, Robert L.] Johns Hopkins Univ, Appl Phys Lab, Baltimore, MD 21218 USA. [Roche, Nicolas J-H.; Khachatrian, Ani; Buchner, Steven P.; McMorrow, Dale; Warner, Jeffrey] US Navy, Res Lab, Washington, DC 20375 USA. [Paki, Pauline] Def Threat Reduct Agcy DTRA, Ft Belvoir, VA 22060 USA. RP Fleetwood, ZE (reprint author), Georgia Inst Technol, Sch Elect & Comp Engn, Atlanta, GA 30332 USA. EM zfleetwood3@gatech.edu; pauline.paki@dtra.mil; cressler@ece.gatech.edu FU DTRA; NRL; IBM FX The authors are grateful to DTRA, NRL, and IBM for support and insightful conversations. NR 11 TC 0 Z9 0 U1 1 U2 1 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9499 EI 1558-1578 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD DEC PY 2015 VL 62 IS 6 BP 2643 EP 2649 DI 10.1109/TNS.2015.2499298 PN 1 PG 7 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA DA3WW UT WOS:000367732600038 ER PT J AU Trippe, JM Reed, RA Austin, RA Sierawski, BD Weller, RA Funkhouser, ED King, MP Narasimham, B Bartz, B Baumann, R Labello, J Nichols, J Schrimpf, RD Weeden-Wright, SL AF Trippe, J. M. Reed, R. A. Austin, R. A. Sierawski, B. D. Weller, R. A. Funkhouser, E. D. King, M. P. Narasimham, B. Bartz, B. Baumann, R. Labello, J. Nichols, J. Schrimpf, R. D. Weeden-Wright, S. L. TI Electron-Induced Single Event Upsets in 28 nm and 45 nm Bulk SRAMs SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article; Proceedings Paper CT 52nd IEEE Nuclear and Space Radiation Effects Conference (NSREC) CY JUL 13-17, 2015 CL Boston, MA SP IEEE, IEEE Nucl & Plasma Sci Soc, Radiat Effects Comm DE Energetic electron; single-event effects (SEEs); single-event rates; single-event upset (SEU); static random access memory (SRAM) ID SIMULATION; MEMORY; CODE; SEU AB We present experimental evidence of single electron-induced upsets in commercial 28 nm and 45 nm CMOS SRAMs from a monoenergetic electron beam. Upsets were observed in both technology nodes when the SRAM was operated in a low power state. The experimental cross section depends strongly on both bias and technology node feature size, consistent with previous work in which SRAMs were irradiated with low energy muons and protons. Accompanying simulations demonstrate that delta-rays produced by the primary electrons are responsible for the observed upsets. Additional simulations predict the on-orbit event rates for various Earth and Jovian environments for a set of sensitive volumes representative of current technology nodes. The electron contribution to the total upset rate for Earth environments is significant for critical charges as high as 0.2 fC. This value is comparable to that of sub-22 nm bulk SRAMs. Similarly, for the Jovian environment, the electron-induced upset rate is larger than the proton-induced upset rate for critical charges as high as 0.3 fC. C1 [Trippe, J. M.; Reed, R. A.; Austin, R. A.; Sierawski, B. D.; Weller, R. A.; Funkhouser, E. D.; Schrimpf, R. D.; Weeden-Wright, S. L.] Vanderbilt Univ, Dept Elect Engn & Comp Sci, Nashville, TN 37237 USA. [King, M. P.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Narasimham, B.; Bartz, B.] Broadcom Corp, Irvine, CA 92617 USA. [Baumann, R.] Texas Instruments Inc, Dallas, TX 75243 USA. [Labello, J.; Nichols, J.] Arnold Engn & Dev Complex, Tullahoma, TN USA. RP Trippe, JM (reprint author), Vanderbilt Univ, Dept Elect Engn & Comp Sci, Nashville, TN 37237 USA. EM james.m.trippe@vanderbilt.edu FU Defense Threat Reduction Agency Basic Research Program [HDTRA1-12-1-0025] FX This work was sponsored in part by the Defense Threat Reduction Agency Basic Research Program under grant No. HDTRA1-12-1-0025. NR 21 TC 4 Z9 4 U1 1 U2 4 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9499 EI 1558-1578 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD DEC PY 2015 VL 62 IS 6 BP 2709 EP 2716 DI 10.1109/TNS.2015.2496967 PN 1 PG 8 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA DA3WW UT WOS:000367732600047 ER PT J AU Dodds, NA Dodd, PE Shaneyfelt, MR Sexton, FW Martinez, MJ Black, JD Marshall, PW Reed, RA McCurdy, MW Weller, RA Pellish, JA Rodbell, KP Gordon, MS AF Dodds, N. A. Dodd, P. E. Shaneyfelt, M. R. Sexton, F. W. Martinez, M. J. Black, J. D. Marshall, P. W. Reed, R. A. McCurdy, M. W. Weller, R. A. Pellish, J. A. Rodbell, K. P. Gordon, M. S. TI New Insights Gained on Mechanisms of Low-Energy Proton-Induced SEUs by Minimizing Energy Straggle SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article; Proceedings Paper CT 52nd IEEE Nuclear and Space Radiation Effects Conference (NSREC) CY JUL 13-17, 2015 CL Boston, MA SP IEEE, IEEE Nucl & Plasma Sci Soc, Radiat Effects Comm DE Low-energy protons; proton direct ionization; single-event effects; soft error rate prediction ID SINGLE-EVENT-UPSETS; NM SOI SRAM AB We present low-energy proton single-event upset (SEU) data on a 65 nm SOI SRAM whose substrate has been completely removed. Since the protons only had to penetrate a very thin buried oxide layer, these measurements were affected by far less energy loss, energy straggle, flux attrition, and angular scattering than previous datasets. The minimization of these common sources of experimental interference allows more direct interpretation of the data and deeper insight into SEU mechanisms. The results show a strong angular dependence, demonstrate that energy straggle, flux attrition, and angular scattering affect the measured SEU cross sections, and prove that proton direct ionization is the dominant mechanism for low-energy proton-induced SEUs in these circuits. C1 [Dodds, N. A.; Dodd, P. E.; Shaneyfelt, M. R.; Sexton, F. W.; Martinez, M. J.; Black, J. D.] Sandia Natl Labs, Albuquerque, NM 87123 USA. [Marshall, P. W.] NRL Consultant, Brookneal, VA 24528 USA. [Reed, R. A.; McCurdy, M. W.; Weller, R. A.] Vanderbilt Univ, Nashville, TN 37203 USA. [Pellish, J. A.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. [Rodbell, K. P.; Gordon, M. S.] IBM Corp, Thomas J Watson Res Ctr, Yorktown Hts, NY 10598 USA. RP Dodds, NA (reprint author), Sandia Natl Labs, Albuquerque, NM 87123 USA. EM nadodds@sandia.gov FU DTRA RHM program FX The authors would like to thank S. Brown, M. Carts, and A. Boutte for their assistance with the experiments at NASA Goddard, M. Mendenhall for his assistance preparing for the experiments at Vanderbilt University, S. Buchner (Naval Research Laboratory) for his helpful discussions, and the DTRA RHM program for its support. NR 21 TC 1 Z9 1 U1 0 U2 2 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9499 EI 1558-1578 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD DEC PY 2015 VL 62 IS 6 BP 2822 EP 2829 DI 10.1109/TNS.2015.2488588 PN 1 PG 8 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA DA3WW UT WOS:000367732600061 ER PT J AU King, MP Armstrong, AM Dickerson, JR Vizkelethy, G Fleming, RM Campbell, J Wampler, WR Kizilyalli, IC Bour, DP Aktas, O Nie, H Disney, D Wierer, J Allerman, AA Moseley, MW Leonard, F Talin, AA Kaplar, RJ AF King, M. P. Armstrong, A. M. Dickerson, J. R. Vizkelethy, G. Fleming, R. M. Campbell, J. Wampler, W. R. Kizilyalli, I. C. Bour, D. P. Aktas, O. Nie, H. Disney, D. Wierer, J. Allerman, A. A. Moseley, M. W. Leonard, F. Talin, A. A. Kaplar, R. J. TI Performance and Breakdown Characteristics of Irradiated Vertical Power GaN P-i-N Diodes SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article; Proceedings Paper CT 52nd IEEE Nuclear and Space Radiation Effects Conference (NSREC) CY JUL 13-17, 2015 CL Boston, MA SP IEEE, IEEE Nucl & Plasma Sci Soc, Radiat Effects Comm DE Displacement damage; gallium nitride; power devices; power electronics; reliability; wide-bandgap ID ALGAN/GAN HEMTS; HIGH-VOLTAGE; SEMICONDUCTORS; DEVICES; RECOMBINATION; OPTIMIZATION; SPECTROSCOPY; ELECTRONICS; TRANSISTORS; RADIATION AB Electrical performance and defect characterization of vertical GaN P-i-N diodes before and after irradiation with 2.5 MeV protons and neutrons is investigated. Devices exhibit increase in specific on-resistance following irradiation with protons and neutrons, indicating displacement damage introduces defects into the p-GaN and n(-) drift regions of the device that impact on-state device performance. The breakdown voltage of these devices, initially above 1700 V, is observed to decrease only slightly for particle fluence < 10(13) cm(-2). The unipolar figure of merit for power devices indicates that while the on-resistance and breakdown voltage degrade with irradiation, vertical GaN P-i-Ns remain superior to the performance of the best available, unirradiated silicon devices and on-par with unirradiated modern SiC-based power devices. C1 [King, M. P.; Armstrong, A. M.; Dickerson, J. R.; Vizkelethy, G.; Fleming, R. M.; Campbell, J.; Wampler, W. R.; Wierer, J.; Allerman, A. A.; Moseley, M. W.; Kaplar, R. J.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Leonard, F.; Talin, A. A.] Sandia Natl Labs, Livermore, CA 94550 USA. [Kizilyalli, I. C.; Bour, D. P.; Aktas, O.; Nie, H.; Disney, D.] Avogy Inc, San Jose, CA 95134 USA. RP King, MP (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM mpking@sandia.gov; kizilyalli@ieee.org RI Wierer, Jonathan/G-1594-2013 OI Wierer, Jonathan/0000-0001-6971-4835 FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC0494AL85000]; DOE ARPA-E SWITCHES Program FX Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC0494AL85000. Avogy acknowledges partial support from DOE ARPA-E SWITCHES Program (Dr. T. Heidel, director). NR 38 TC 4 Z9 4 U1 1 U2 32 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9499 EI 1558-1578 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD DEC PY 2015 VL 62 IS 6 BP 2912 EP 2918 DI 10.1109/TNS.2015.2480071 PN 1 PG 7 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA DA3WW UT WOS:000367732600074 ER PT J AU Auden, EC Pacheco, JL Bielejec, E Vizkelethy, G Abraham, JBS Doyle, BL AF Auden, Elizabeth C. Pacheco, Jose L. Bielejec, Edward Vizkelethy, Gyorgy Abraham, John B. S. Doyle, Barney L. TI Sub-Micron Resolution of Localized Ion Beam Induced Charge Reduction in Silicon Detectors Damaged by Heavy Ions SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article; Proceedings Paper CT 52nd IEEE Nuclear and Space Radiation Effects Conference (NSREC) CY JUL 13-17, 2015 CL Boston, MA SP IEEE, IEEE Nucl & Plasma Sci Soc, Radiat Effects Comm DE Displacement damage; IBIC; ion beam induced charge; silicon detectors ID RADIATION DETECTORS; COLLECTION; IRRADIATION; MICROSCOPY; PROTON; PHOTODIODE; MICROBEAM; ELECTRON; IMAGES; IBICC AB Displacement damage reduces ion beam induced charge (IBIC) through Shockley-Read-Hall recombination. Closely spaced pulses of 200 keV Si++ ions focused in a 40 nm beam spot are used to create damage cascades within 0.25 mu m(2) areas. Damaged areas are detected through contrast in IBIC signals generated with focused ion beams of 200 keV Si++ ions and 60 keV Li+ ions. IBIC signal reduction can be resolved over sub-micron regions of a silicon detector damaged by as few as 1000 heavy ions. C1 [Auden, Elizabeth C.; Pacheco, Jose L.; Bielejec, Edward; Vizkelethy, Gyorgy; Abraham, John B. S.; Doyle, Barney L.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Auden, EC (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM eauden@sandia.gov; jpache@sandia.gov; ebiele@sandia.gov; gvizke@sandia.gov; jabrah@sandia.gov; bdoyle@sandia.gov FU Laboratory Directed Research and Development program at Sandia National Laboratories; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was sponsored by the Laboratory Directed Research and Development program at Sandia National Laboratories, which 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 24 TC 0 Z9 0 U1 4 U2 6 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9499 EI 1558-1578 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD DEC PY 2015 VL 62 IS 6 BP 2919 EP 2925 DI 10.1109/TNS.2015.2495160 PN 1 PG 7 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA DA3WW UT WOS:000367732600075 ER PT J AU Tonfat, J Kastensmidt, FL Rech, P Reis, R Quinn, HM AF Tonfat, Jorge Kastensmidt, Fernanda Lima Rech, Paolo Reis, Ricardo Quinn, Heather M. TI Analyzing the Effectiveness of a Frame-Level Redundancy Scrubbing Technique for SRAM-based FPGAs SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article; Proceedings Paper CT 52nd IEEE Nuclear and Space Radiation Effects Conference (NSREC) CY JUL 13-17, 2015 CL Boston, MA SP IEEE, IEEE Nucl & Plasma Sci Soc, Radiat Effects Comm DE Fault tolerance; field programmable gate arrays; radiation effects ID SOFT ERROR; RECOVERY AB Radiation effects such as soft errors are the major threat to the reliability of SRAM-based FPGAs. This work analyzes the effectiveness in correcting soft errors of a novel scrubbing technique using internal frame redundancy called Frame-level Redundancy Scrubbing (FLR-scrubbing). This correction technique can be implemented in a coarse grain TMR design. The FLR-scrubbing technique was implemented on a mid-size Xilinx Virtex-5 FPGA device used as a case study. The FLR-scrubbing technique was tested under neutron radiation and fault injection. Implementation results demonstrated minimum area and energy consumption overhead when compared to other techniques. The time to repair the fault is also improved by using the Internal Configuration Access Port (ICAP). Neutron radiation test results demonstrated that the proposed technique is suitable for correcting accumulated SEUs and MBUs. C1 [Tonfat, Jorge; Kastensmidt, Fernanda Lima; Rech, Paolo; Reis, Ricardo] Univ Fed Rio Grande do Sul, PGMICRO, BR-91501970 Porto Alegre, RS, Brazil. [Quinn, Heather M.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Tonfat, J (reprint author), Univ Fed Rio Grande do Sul, PGMICRO, BR-91501970 Porto Alegre, RS, Brazil. EM jorgetonfat@ieee.org; fglima@inf.ufrgs.br; prech@inf.ufrgs.br; reis@inf.ufrgs.br; hquinn@lanl.gov OI Tonfat, Jorge/0000-0001-9346-3079 FU CNPq; FAPERGS; CAPES FX This work was supported in part by CNPq, FAPERGS and CAPES. NR 20 TC 1 Z9 1 U1 0 U2 4 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9499 EI 1558-1578 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD DEC PY 2015 VL 62 IS 6 BP 3080 EP 3087 DI 10.1109/TNS.2015.2489601 PN 1 PG 8 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA DA3WW UT WOS:000367732600096 ER PT J AU Chielle, E Rodrigues, GS Kastensmidt, FL Cuenca-Asensi, S Tambara, LA Rech, P Quinn, H AF Chielle, Eduardo Rodrigues, Gennaro S. Kastensmidt, Fernanda L. Cuenca-Asensi, Sergio Tambara, Lucas A. Rech, Paolo Quinn, Heather TI S-SETA: Selective Software-Only Error-Detection Technique Using Assertions SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article; Proceedings Paper CT 52nd IEEE Nuclear and Space Radiation Effects Conference (NSREC) CY JUL 13-17, 2015 CL Boston, MA SP IEEE, IEEE Nucl & Plasma Sci Soc, Radiat Effects Comm DE Aerospace applications; control-flow; energy constraints; error detection; fault coverage; fault tolerance; memory overhead; performance degradation; processors; reliability; soft errors; software-based techniques ID PROCESSORS AB Software-based techniques offer several advantages to increase the reliability of processor-based systems at very low cost, but they cause performance degradation and an increase of the code size. To meet constraints in performance and memory, we propose SETA, a new control-flow software-only technique that uses assertions to detect errors affecting the program flow. SETA is an independent technique, but it was conceived to work together with previously proposed data-flow techniques that aim at reducing performance and memory overheads. Thus, SETA is combined with such data-flow techniques and submitted to a fault injection campaign. Simulation and neutron induced SEE tests show high fault coverage at performance and memory overheads inferior to the state-of-the-art. C1 [Chielle, Eduardo; Rodrigues, Gennaro S.; Kastensmidt, Fernanda L.; Tambara, Lucas A.; Rech, Paolo] Univ Fed Rio Grande do Sul, PGMICRO, Inst Informat, Porto Alegre, RS, Brazil. [Cuenca-Asensi, Sergio] Univ Alicante, Comp Technol Dept, E-03080 Alicante, Spain. [Quinn, Heather] Los Alamos Natl Lab, Space Data Syst Grp, Los Alamos, NM USA. RP Chielle, E (reprint author), Univ Fed Rio Grande do Sul, PGMICRO, Inst Informat, Porto Alegre, RS, Brazil. EM echielle@inf.ufrgs.br; gsrodrigues@inf.ufrgs.br; fglima@inf.ufrgs.br; sergio@dtic.ua.es; latambara@inf.ufrgs.br; prech@inf.ufrgs.br; hquinn@lanl.gov FU CNPq; CAPES FX This work was supported in part by CNPq and CAPES, Brazilian agencies. NR 26 TC 4 Z9 4 U1 0 U2 0 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9499 EI 1558-1578 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD DEC PY 2015 VL 62 IS 6 BP 3088 EP 3095 DI 10.1109/TNS.2015.2484842 PN 1 PG 8 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA DA3WW UT WOS:000367732600097 ER PT J AU Nakano, A Nakano, J Seetharaman, S AF Nakano, Anna Nakano, Jinichiro Seetharaman, Seshadri TI Synthesis of nano-manganese ferrite by an oxalate method and characterization of its magnetic properties SO INTERNATIONAL JOURNAL OF MATERIALS RESEARCH LA English DT Article DE Manganese ferrite; Nano-size; Synthesis; Oxalate method ID X-RAY; NANOPARTICLES; PARTICLES; COPRECIPITATION AB In this work, nano-sized manganese ferrite (MnFe2O4) was synthesized through the decomposition of the mixed oxalates. The formation of the spinel manganese ferrite was confirmed by X-ray diffraction analysis. The morphology of the ferrite products was studied by scanning electron microscopy. The particle size, which was determined using the Scherrer formula, ranged from 25 to 30 nm. Magnetic properties of the manganese ferrite were analyzed using a vibrating sample magnetometry technique; a narrow hysteresis loop indicated the MnFe2O4 obtained was a soft ferromagnet. Magnetic properties of the manganese ferrite produced were in agreement with those reported in literature for MnFe2O4 nanoparticles prepared by conventional methods, including co-precipitation and mechanochemical processes. By plotting a series of literature data determined by different authors and techniques, a correlation between saturation magnetisation and particle size has been noted regardless of the synthesis methods. In general, the oxalate method seems to be able to produce nano-manganese ferrite in a shorter time (2-3 h) as compared to other conventional techniques reported in literature (up to 54 h). C1 [Nakano, Anna; Seetharaman, Seshadri] Royal Inst Technol, Stockholm, Sweden. [Nakano, Anna; Nakano, Jinichiro] US DOE, Natl Energy Technol Lab, Albany, OR 97321 USA. [Nakano, Jinichiro] AECOM, Albany, OR USA. RP Nakano, A (reprint author), US DOE, Natl Energy Technol Lab, 1450 Queen Ave SW, Albany, OR 97321 USA. EM anna.nakano@netl.doe.gov FU Swedish Foundation for Strategic Environmental Research (MISTRA) [88035] FX The authors are thankful to the Swedish Foundation for Strategic Environmental Research (MISTRA) for financial support through the project Eco-Steel Production (Sub project no.: 88035) administered by Swedish Steel Producers Association (Jernkontoret). Authors sincerely acknowledge Dr. L. Belova of the Royal Institute of Technology (KTH) for her valuable discussions on synthesis of nano-manganese ferrite by the oxalate method and magnetic properties measurements, Mr. S. Nagar (KTH) for his help during VSM measurements, and Mr. P. Hedstrom (KTH) for the SEM analyses. NR 21 TC 0 Z9 0 U1 1 U2 3 PU CARL HANSER VERLAG PI MUNICH PA KOLBERGERSTRASSE 22, POSTFACH 86 04 20, D-81679 MUNICH, GERMANY SN 1862-5282 EI 2195-8556 J9 INT J MATER RES JI Int. J. Mater. Res. PD DEC PY 2015 VL 106 IS 12 BP 1264 EP 1268 DI 10.3139/146.111304 PG 5 WC Metallurgy & Metallurgical Engineering SC Metallurgy & Metallurgical Engineering GA DA0QY UT WOS:000367503400008 ER PT J AU Vukovich, M Turner, KL Grazia, TE Mims, T Beasley, JC Kilgo, JC AF Vukovich, Mark Turner, Kelsey L. Grazia, Tracy E. Mims, Thomas Beasley, James C. Kilgo, John C. TI Wintering Golden Eagles on the coastal plain of South Carolina SO JOURNAL OF FIELD ORNITHOLOGY LA English DT Article DE Aquila chrysaetos; camera trap; carcass; open pine forest; southeast; wild pig ID AQUILA-CHRYSAETOS; POPULATION; MODELS; SIZE; LEAD AB Golden Eagles (Aquila chrysaetos) are rare winter residents in eastern North America, with most found along the Appalachian Mountains and few reported on the coastal plain of the Carolinas. We used remote cameras baited with wild pig (Sus scrofa) and white-tailed deer (Odocoileus virginianus) carcasses to detect, age, and individually identify Golden Eagles on the U.S. Department of Energy's Savannah River Site on the coastal plain of South Carolina. We identified eight individual Golden Eagles during the winters of 2013-2014 and 2014-2015, with one detected during both winters. We detected eagles for 19 and 66 calendar days during the winters of 2013-2014 and 2014-2015, respectively, with two adult eagles detected for 30 and 31 calendar days in 2014-2015. Eagles typically scavenged on carcasses for a few days, left, and then returned when cameras were baited with another carcass, suggesting they had remained in the area. These observations suggest that large tracts of forests on the coastal plain may be important wintering areas for some Golden Eagles and, further, that other areas in the coastal plain of the southeastern United States may also harbor wintering eagles. Identification of wintering areas of Golden Eagles in the east will be an important step in the conservation of this protected species, and camera traps baited with carcasses can be an effective tool for such work. C1 [Vukovich, Mark; Kilgo, John C.] USDA Forest Serv, Southern Res Stn, New Ellenton, SC 29809 USA. [Turner, Kelsey L.; Beasley, James C.] Univ Georgia, Savannah River Ecol Lab, Warnell Sch Forestry & Nat Resources, Aiken, SC 29802 USA. [Grazia, Tracy E.; Mims, Thomas] USDA Forest Serv Savannah River, New Ellenton, SC 29809 USA. RP Vukovich, M (reprint author), USDA Forest Serv, Southern Res Stn, POB 700, New Ellenton, SC 29809 USA. EM mvukovich@fs.fed.us FU United States Department of Energy - Savannah River Operations Office through the USDA Forest Service - Savannah River [DE-AI09-00SR22188, DE-FC09-07SR22506] FX We thank R. Hamilton, D. Hammett, and J. Nance for outstanding work in the field, and P. Johns for supplying road-killed carcasses. We also thank C. Sutton and B. Wheeler for assistance with individual identification and ageing of Golden Eagles, D. Forsythe for facilitating identification, and T. Katzner and J. Petranka for reviewing the manuscript. Funding was provided by the United States Department of Energy - Savannah River Operations Office through the USDA Forest Service - Savannah River under Interagency Agreement DE-AI09-00SR22188 and Award Number DE-FC09-07SR22506 to the University of Georgia Research Foundation. NR 27 TC 0 Z9 0 U1 3 U2 7 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0273-8570 EI 1557-9263 J9 J FIELD ORNITHOL JI J. Field Ornithol. PD DEC PY 2015 VL 86 IS 4 BP 337 EP 344 DI 10.1111/jofo.12127 PG 8 WC Ornithology SC Zoology GA DA3AB UT WOS:000367667200007 ER PT J AU Kalyanapu, AJ Judi, DR McPherson, TN Burian, SJ AF Kalyanapu, A. J. Judi, D. R. McPherson, T. N. Burian, S. J. TI Annualised risk analysis approach to recommend appropriate level of flood control: application to Swannanoa river watershed SO JOURNAL OF FLOOD RISK MANAGEMENT LA English DT Article DE Annualised risk; flood damages; flood modelling; flood proofing; flood risk; flood risk management; graphics processing unit; Monte Carlo sampling ID DAMAGE ESTIMATION; UNCERTAINTY; MODEL AB This study presents an analysis approach using an existing Monte Carlo (MC) flood risk framework to compare annualised risk reductions from flood control alternatives targeting various recurrence interval events. The annualised risk approach is demonstrated by analysing the relative flood risk mitigation benefits of flood proofing in Swannanoa watershed, North Carolina. Using the MC framework, 54 design flows are sampled from the flow distribution and used to drive a graphics card based two-dimensional flood model. The computed flood depths are used to create flood damage frequency and annualised risk curves. It was hypothesised that flood proofing for a higher probability event would result in a greater relative level of damage reduction for lower cost compared with the traditional use of a 1% annual exceedance flood event. The MC framework was used to test the hypothesis by producing a distribution of annualised risk over various return periods. Confirming the hypothesis, the 12% flood event was found to have the highest annualised risk for the case study in this paper. Simulations were executed to determine the relative costs and benefits of the 12% flood proofing (alternate case) and 1% flood proofing (base case) alternatives. The results showed that the base case reduced the expected annual damage (EAD) by 98.9% compared with the status quo. The alternate case reduced the EAD by 80.4% compared with the status quo. Comparing estimated annual implementation cost with flood damage reductions, annually, for every dollar spent on flood proofing, the 12% design resulted in twice the reduction in flood damages compared with the 1% design. This preliminary study thus confirms the potential of an alternative analysis approach that may be applied for identifying desired flood control level based on flood risk mitigation potential. C1 [Kalyanapu, A. J.] Tennessee Technol Univ, Dept Civil & Environm Engn, Cookeville, TN 38505 USA. [Judi, D. R.; McPherson, T. N.] Los Alamos Natl Lab, Los Alamos, NM USA. [Burian, S. J.] Univ Utah, Dept Civil & Environm Engn, Salt Lake City, UT 84112 USA. RP Kalyanapu, AJ (reprint author), Tennessee Technol Univ, Dept Civil & Environm Engn, PH 334,1020 Stadium Dr,Box 5015, Cookeville, TN 38505 USA. EM akalyanapu@tntech.edu OI Burian, Steven/0000-0003-0523-4968 NR 61 TC 2 Z9 2 U1 3 U2 6 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1753-318X J9 J FLOOD RISK MANAG JI J. Flood Risk Manag. PD DEC PY 2015 VL 8 IS 4 BP 368 EP 385 DI 10.1111/jfr3.12108 PG 18 WC Environmental Sciences; Water Resources SC Environmental Sciences & Ecology; Water Resources GA DA3BJ UT WOS:000367670600008 ER PT J AU Maiuri, M Delfino, I Cerullo, G Manzoni, C Pelmenschikov, V Guo, YS Wang, HX Gee, LB Dapper, CH Newton, WE Cramer, SP AF Maiuri, Margherita Delfino, Ines Cerullo, Giulio Manzoni, Cristian Pelmenschikov, Vladimir Guo, Yisong Wang, Hongxin Gee, Leland B. Dapper, Christie H. Newton, William E. Cramer, Stephen P. TI Low frequency dynamics of the nitrogenase MoFe protein via femtosecond pump probe spectroscopy - Observation of a candidate promoting vibration SO JOURNAL OF INORGANIC BIOCHEMISTRY LA English DT Article DE Nitrogenase; Femtosecond; Pump-probe; NRVS; Proton transfer ID CHARGE-TRANSFER DYNAMICS; DENSITY-FUNCTIONAL THEORY; IRON-MOLYBDENUM COFACTOR; FEMO-COFACTOR; ACTIVE-SITE; AZOTOBACTER-VINELANDII; COHERENCE SPECTROSCOPY; DEPENDENT NITROGENASE; INFRARED-SPECTROSCOPY; NONSTATIONARY STATES AB We have used femtosecond pump-probe spectroscopy (FPPS) to study the FeMo-cofactor within the nitrogenase (N(2)ase) MoFe protein from Azotobacter vinelandii. A sub-20-fs visible laser pulse was used to pump the sample to an excited electronic state, and a second sub-10-fs pulse was used to probe changes in transmission as a function of probe wavelength and delay time. The excited protein relaxes to the ground state with a similar to 12 Ps time constant. With the short laser pulse we coherently excited the vibrational modes associated with the FeMo-cofactor active site, which are then observed in the time domain. Superimposed on the relaxation dynamics, we distinguished a variety of oscillation frequencies with the strongest band peaks at similar to 84, 116, 189, and 226 cm(-1). Comparison with data from nuclear resonance vibrational spectroscopy (NRVS) shows that the latter pair of signals comes predominantly from the FeMo-cofactor. The frequencies obtained from the FPPS experiment were interpreted with normal mode calculations using both an empirical force field (EFF) and density functional theory (DFT). The FPPS data were also compared with the first reported resonance Raman (RR) spectrum of the N(2)ase MoFe protein. This approach allows us to outline and assign vibrational modes having relevance to the catalytic activity of N(2)ase. In particular, the 226 cm(-1) band is assigned as a potential 'promoting vibration' in the H-atom transfer (or proton-coupled electron transfer) processes that are an essential feature of N(2)ase catalysis. The results demonstrate that high-quality room-temperature solution data can be obtained on the MoFe protein by the FPPS technique and that these data provide added insight to the motions and possible operation of this protein and its catalytic prosthetic group. (C) 2015 Elsevier Inc All rights reserved. C1 [Maiuri, Margherita; Cerullo, Giulio; Manzoni, Cristian] Politecn Milan, Dipartimento Fis, IFN CNR, I-20133 Milan, Italy. [Delfino, Ines] Univ Tuscia, Dipartimento Sci Ecol & Biol, I-01100 Viterbo, Italy. [Pelmenschikov, Vladimir] Tech Univ Berlin, Inst Chem, D-10623 Berlin, Germany. [Guo, Yisong] Carnegie Mellon Univ, Dept Chem, Pittsburgh, PA 15213 USA. [Wang, Hongxin; Gee, Leland B.; Cramer, Stephen P.] Univ Calif Davis, Dept Chem, Davis, CA 95616 USA. [Dapper, Christie H.; Newton, William E.] Virginia Polytech Inst & State Univ, Dept Biochem, Blacksburg, VA 24061 USA. [Cramer, Stephen P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Cramer, SP (reprint author), Univ Calif Davis, Dept Chem, Davis, CA 95616 USA. EM spjcramer@ucdavis.edu RI Guo, Yisong/C-7785-2009; Manzoni, Cristian/F-6669-2011; OI Guo, Yisong/0000-0002-4132-3565; Manzoni, Cristian/0000-0002-4169-8869; Gee, Leland/0000-0002-5817-3997 FU NIH [GM-65440]; NSF [CHE-1308384]; DOE Office of Biological and Environmental Research; Deutsche Forschungsgemeinschaft (DFG) via the 'Unifying Concepts in Catalysis' (UniCat) Excellence Cluster; European Research Council Advanced Grant STRATUS (ERC-AdG) [291198] FX NRVS experiments at SPring-8 were performed at BL09XU with approval of JASRI (Proposal No. 2010A1073-2013B0103), and at BL19LXU with approval of RIKEN (Proposal No. 20130022 and 20140033). This work was funded by the NIH grants GM-65440 (S.P.C.), NSF Grant CHE-1308384 (S.P.C.), the DOE Office of Biological and Environmental Research (S.P.C.), and the Deutsche Forschungsgemeinschaft (DFG) via the 'Unifying Concepts in Catalysis' (UniCat) Excellence Cluster (V.P.). G.C. acknowledges support by the European Research Council Advanced Grant STRATUS (ERC-2011-AdG No. 291198). NR 87 TC 0 Z9 0 U1 5 U2 16 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0162-0134 EI 1873-3344 J9 J INORG BIOCHEM JI J. Inorg. Biochem. PD DEC PY 2015 VL 153 BP 128 EP 135 DI 10.1016/j.jinorgbio.2015.07.005 PG 8 WC Biochemistry & Molecular Biology; Chemistry, Inorganic & Nuclear SC Biochemistry & Molecular Biology; Chemistry GA DA1NT UT WOS:000367563200013 PM 26343576 ER PT J AU Capar, J Berg, S Thomas, KE Beavers, CM Gagnon, KJ Ghosh, A AF Capar, Jan Berg, Steffen Thomas, Kolle E. Beavers, Christine M. Gagnon, Kevin J. Ghosh, Abhik TI Improved syntheses of beta-octabromo-meso-triarylcorrole derivatives SO JOURNAL OF INORGANIC BIOCHEMISTRY LA English DT Article DE Reductive demetallation; Corrole; Metallocorrole; Octabromocorrole; Iron ID FREE-BASE CORROLES; REDUCTIVE DEMETALATION; DIBORON CORROLES; IRON; RADICALS; INNOCENT AB In spite of significant applications as starting materials for a variety of metallocorrole derivatives, free-base beta-octabromo-meso-triarylcorroles continue to be viewed as inaccessible. The reasons range from the need for tedious column-chromatographic purification to limitations of the reductive demetallation protocol for selected systems. Here we report that column chromatography may be entirely avoided for a number of beta-octabromo-meso-tris(p-X-phenyl)corrole derivatives, where X = CF3, NO2, F, H, CH3, and OCH3; instead, analytically pure products may be obtained by recrystallization from chloroform/methanol. In addition, we have presented an optimized synthesis of the heretofore inaccessible, sterically hindered ligand beta-octabromo-meso-tris(2,6-dichlorophenyl)corrole, H-3[Br8TDCPC], via reductive demetallation of the corresponding Mn(III) complex. With our earlier report of p-octabromo-meso-tris(pentafluorophenyl)corrole, H-3[Br8TPFPC], a comprehensive set of optimized synthetic protocols are thus in place for a good number of beta-octabromo-meso-triarylcorrole ligands. Furthermore, we have illustrated the use of these ligands by synthesizing the iron complexes Fe[Br8TDCPC]Cl and Fe[Br8TDCPC](py)(2), of which the latter lent itself to single-crystal X-ray structure determination. (C) 2015 Published by Elsevier Inc. C1 [Capar, Jan; Berg, Steffen; Thomas, Kolle E.; Ghosh, Abhik] UiT Arctic Univ Norway, Dept Chem, N-9037 Tromso, Norway. [Capar, Jan; Berg, Steffen; Thomas, Kolle E.; Ghosh, Abhik] UiT Arctic Univ Norway, Ctr Theoret & Computat Chem, N-9037 Tromso, Norway. [Beavers, Christine M.; Gagnon, Kevin J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Ghosh, A (reprint author), UiT Arctic Univ Norway, Dept Chem, N-9037 Tromso, Norway. EM abhik.ghosh@uit.no RI Ghosh, Abhik/G-8164-2016 OI Ghosh, Abhik/0000-0003-1161-6364 FU Research Council of Norway [163054, 231086]; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231] FX This project was supported by FRINATEK projects 163054 and 231086 of the Research Council of Norway and by the Advanced Light Source, Berkeley, California. The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 24 TC 3 Z9 3 U1 3 U2 11 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0162-0134 EI 1873-3344 J9 J INORG BIOCHEM JI J. Inorg. Biochem. PD DEC PY 2015 VL 153 BP 162 EP 166 DI 10.1016/j.jinorgbio.2015.07.017 PG 5 WC Biochemistry & Molecular Biology; Chemistry, Inorganic & Nuclear SC Biochemistry & Molecular Biology; Chemistry GA DA1NT UT WOS:000367563200017 PM 26354820 ER PT J AU Dewar, RL Yoshida, Z Bhattacharjee, A Hudson, SR AF Dewar, R. L. Yoshida, Z. Bhattacharjee, A. Hudson, S. R. TI Variational formulation of relaxed and multi-region relaxed magnetohydrodynamics SO JOURNAL OF PLASMA PHYSICS LA English DT Article ID PRESSURE-INDUCED ISLANDS; MAGNETIC RECONNECTION; RELABELING SYMMETRIES; PLASMA EQUILIBRIA; TOROIDAL PLASMA; FLUID; RELAXATION; STABILITY; IDEAL; INSTABILITY AB Ideal magnetohydrodynamics (IMHD) is strongly constrained by an infinite number of microscopic constraints expressing mass, entropy and magnetic flux conservation in each infinitesimal fluid element, the latter preventing magnetic reconnection. By contrast, in the Taylor relaxation model for formation of macroscopically self-organized plasma equilibrium states, all these constraints are relaxed save for the global magnetic fluxes and helicity. A Lagrangian variational principle is presented that leads to a new, fully dynamical, relaxed magnetohydrodynamics (RxMHD), such that all static solutions are Taylor states but also allows state with flow. By postulating that some long-lived macroscopic current sheets can act as barriers to relaxation, separating the plasma into multiple relaxation regions, a further generalization, multi-region relaxed magnetohydrodynamics (MRxMHD) is developed. C1 [Dewar, R. L.] Australian Natl Univ, Res Sch Phys & Engn, Ctr Plasmas & Fluids, Canberra, ACT 2601, Australia. [Yoshida, Z.] Univ Tokyo, Grad Sch Frontier Sci, Kashiwa, Chiba 2778561, Japan. [Bhattacharjee, A.; Hudson, S. R.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Dewar, RL (reprint author), Australian Natl Univ, Res Sch Phys & Engn, Ctr Plasmas & Fluids, GPO Box 4, Canberra, ACT 2601, Australia. EM robert.dewar@anu.edu.au RI Hudson, Stuart/H-7186-2013; OI Hudson, Stuart/0000-0003-1530-2733; Dewar, Robert/0000-0002-9518-7087 FU University of Tokyo; Princeton Plasma Physics Laboratory; Australian Research Council [DP110102881]; JSPS [KAKENHI 23224014]; US DOE [DE-ACO2-09CH11466] FX One of the authors (R.L.D.) gratefully acknowledges the support of The University of Tokyo and Princeton Plasma Physics Laboratory, during collaboration visits, and some travel support from Australian Research Council grant DP110102881. He also acknowledges useful discussions with P. Morrison. The work of Z.Y. was supported under JSPS grant KAKENHI 23224014 and that of A.B. and S.R.H. was supported under US DOE grant DE-ACO2-09CH11466. The plots were made using Mathematica 10, Wolfram Research, Inc. (2015). NR 62 TC 2 Z9 2 U1 2 U2 5 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0022-3778 EI 1469-7807 J9 J PLASMA PHYS JI J. Plasma Phys. PD DEC PY 2015 VL 81 AR 515810604 DI 10.1017/S0022377815001336 PN 6 PG 22 WC Physics, Fluids & Plasmas SC Physics GA DA1SA UT WOS:000367574600030 ER PT J AU Krommes, JA AF Krommes, John A. TI A tutorial introduction to the statistical theory of turbulent plasmas, a half-century after Kadomtsev's Plasma Turbulence and the resonance-broadening theory of Dupree and Weinstock SO JOURNAL OF PLASMA PHYSICS LA English DT Article ID DIRECT-INTERACTION APPROXIMATION; DRIFT-WAVE TURBULENCE; REALIZABLE MARKOVIAN CLOSURE; QUASI-LINEAR THEORY; NON-GAUSSIAN STATISTICS; WEAKLY UNSTABLE PLASMA; MAGNETIC-FIELD; ISOTROPIC TURBULENCE; KINETIC-THEORY; ADIABATIC MODIFICATIONS AB In honour of the 50th anniversary of the influential review/monograph on plasma turbulence by B. B. Kadomtsev as well as the seminal works of T. H. Dupree and J. Weinstock on resonance-broadening theory, an introductory tutorial is given about some highlights of the statistical dynamical description of turbulent plasmas and fluids, including the ideas of nonlinear incoherent noise, coherent damping, and self-consistent dielectric response. The statistical closure problem is introduced. Incoherent noise and coherent damping are illustrated with a solvable model of passive advection. Self-consistency introduces turbulent polarization effects that are described by the dielectric function D. Dupree's method of using D to estimate the saturation level of turbulence is described; then it is explained why a more complete theory that includes nonlinear noise is required. The general theory is best formulated in terms of Dyson equations for the covariance C and an infinitesimal response function R, which subsumes D. An important example is the direct-interaction approximation (DIA). It is shown how to use Novikov's theorem to develop an x-space approach to the DIA that is complementary to the original k-space approach of Kraichnan. A dielectric function is defined for arbitrary quadratically nonlinear systems, including the Navier Stokes equation, and an algorithm for determining the form of D in the DIA is sketched. The independent insights of Kadomtsev and Kraichnan about the problem of the DIA with random Galilean invariance are described. The mixing-length formula for drift-wave saturation is discussed in the context of closures that include nonlinear noise (shielded by D). The role of R in the calculation of the symmetry-breaking (zonostrophic) instability of homogeneous turbulence to the generation of inhomogeneous mean flows is addressed. The second-order cumulant expansion and the stochastic structural stability theory are also discussed in that context. Various historical research threads are mentioned and representative entry points to the literature are given. Some outstanding conceptual issues are enumerated. C1 [Krommes, John A.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Krommes, JA (reprint author), Princeton Plasma Phys Lab, POB 451,MS 28, Princeton, NJ 08543 USA. EM krommes@princeton.edu FU US Department of Energy [DE-ACO2-09CH11466] FX I am grateful to J. Burby, D. Ruiz, and Y. Shi for their candid criticisms of an early draft of the manuscript, which led to wholesale revisions. Congratulations to E. Shi for successfully playing the editing game. I gladly incorporated excellent suggestions from A. Bhattacharjee, I. Dodin, and G. Hammett The final form of the manuscript benefited substantially from expert advice of an anonymous referee. This work was supported by the US Department of Energy Contract DE-ACO2-09CH11466. NR 233 TC 0 Z9 0 U1 4 U2 8 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0022-3778 EI 1469-7807 J9 J PLASMA PHYS JI J. Plasma Phys. PD DEC PY 2015 VL 81 AR 205810601 DI 10.1017/S0022377815000756 PN 6 PG 80 WC Physics, Fluids & Plasmas SC Physics GA DA1SA UT WOS:000367574600002 ER PT J AU Strozzi, DJ Perkins, LJ Marinak, MM Larson, DJ Koning, JM Logan, BG AF Strozzi, David J. Perkins, L. J. Marinak, M. M. Larson, D. J. Koning, J. M. Logan, B. G. TI Imposed magnetic field and hot electron propagation in inertial fusion hohlraums SO JOURNAL OF PLASMA PHYSICS LA English DT Article ID PLASMAS; PHYSICS AB The effects of an imposed, axial magnetic field B-z0 on hydrodynamics and energetic electrons in inertial confinement fusion indirect-drive hohlraums are studied. We present simulations from the radiation-hydrodynamics code HYDRA of a low-adiabat ignition design for the National Ignition Facility, with and without B-z0 = 70 T. The field's main hydrodynamic effect is to significantly reduce electron thermal conduction perpendicular to the field. This results in hotter and less dense plasma on the equator between the capsule and hohlraum wall. The inner laser beams experience less inverse bremsstrahlung absorption before reaching the wall. The X-ray drive is thus stronger from the equator with the imposed field. We study superthermal, or 'hot', electron dynamics with the particle-in-cell code ZUMA, using plasma conditions from HYDRA. During the early-time laser picket, hot electrons based on two-plasmon decay in the laser entrance hole (Regan et al., Phys. Plasmas, vol. 17(2), 2010, 020703) are guided to the capsule by a 70 T field. Twelve times more energy deposits in the deuterium-tritium fuel. For plasma conditions early in peak laser power, we present mono-energetic test-case studies with ZUMA as well as sources based on inner-beam stimulated Raman scattering. The effect of the field on deuterium-tritium deposition depends strongly on the source location, namely whether hot electrons are generated on field lines that connect to the capsule. C1 [Strozzi, David J.; Perkins, L. J.; Marinak, M. M.; Larson, D. J.; Koning, J. M.; Logan, B. G.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Strozzi, DJ (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM strozzi2@llnl.gov OI Strozzi, David/0000-0001-8814-3791 FU US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; LLNL LDRD project [14-ERD-028] FX We gratefully acknowledge fruitful conversations with H. F. Robey, J. D. Salmonson, C. A. Thomas, J. Hammer, and D. E. Hinkel. This work was performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344. Partly supported by LLNL LDRD project 14-ERD-028. NR 32 TC 4 Z9 4 U1 2 U2 12 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0022-3778 EI 1469-7807 J9 J PLASMA PHYS JI J. Plasma Phys. PD DEC PY 2015 VL 81 AR 475810603 DI 10.1017/S0022377815001348 PN 6 PG 21 WC Physics, Fluids & Plasmas SC Physics GA DA1SA UT WOS:000367574600031 ER PT J AU Greenwood, MS AF Greenwood, Margaret Stautberg TI Design of ultrasonic attenuation sensor with focused transmitter for density measurements of a slurry in a large steel pipeline SO JOURNAL OF THE ACOUSTICAL SOCIETY OF AMERICA LA English DT Article AB To design an ultrasonic sensor to measure the attenuation and density of slurry carried by a large steel pipeline (diameter up to 70 cm) is the goal of this research. The pitch-catch attenuation sensor, placed in a small section of the pipeline, contains a send unit with a focused transducer that focuses the ultrasound to a small region of the receive unit on the opposite wall. The focused transducer consists of a section of a sphere (base similar to 12 cm) on the outer side of the send unit and a 500 kHz piezoelectric shell of lead zirconate titanate epoxied to it. The Rayleigh surface integral is used to calculate the pressure in steel and in water (slurry). An incremental method to plot the paths of ultrasonic rays shows that the rays focus where expected. Further, there is a region where the parallel rays are perpendicular to the wall of the receive unit. Designs for pipeline diameters of 25 and 71 cm show that the pressure in water at the receive transducer is about 17 times that for a pitch-catch system using 5 cm diameter disk transducers. The enhanced signal increases the sensitivity of the measurements and improves the signal-to-noise ratio. (C) 2015 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by-cn-nd/4.0/). C1 [Greenwood, Margaret Stautberg] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Greenwood, MS (reprint author), 33 Vienna Court, Richland, WA 99354 USA. EM margaret.greenwood@pnnl.gov FU Emeritus program at Pacific Northwest National Laboratory FX M.S.G. wishes to acknowledge the support of the Emeritus program at Pacific Northwest National Laboratory. NR 18 TC 0 Z9 0 U1 1 U2 7 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 DEC PY 2015 VL 138 IS 6 BP 3846 EP 3854 DI 10.1121/1.4937767 PG 9 WC Acoustics; Audiology & Speech-Language Pathology SC Acoustics; Audiology & Speech-Language Pathology GA DA1DE UT WOS:000367535700051 PM 26723339 ER PT J AU Gasparov, VA Bozovic, I AF Gasparov, V. A. Bozovic, I. TI Complex conductance of ultrathin La2-xSrxCuO4 films and heterostructures SO LOW TEMPERATURE PHYSICS LA English DT Article ID KOSTERLITZ-THOULESS TRANSITION; 2-DIMENSIONAL COULOMB-GAS; SUPERCONDUCTING FILMS; PENETRATION DEPTH; THIN-FILMS; TEMPERATURE; YBA2CU3O7-DELTA; SUPERLATTICES; DEPENDENCE; OXIDES AB We used atomic-layer molecular beam epitaxy to synthesize bilayers of a cuprate metal (La1.55Sr0.45CuO4) and a cuprate insulator (La2CuO4), in which each layer is just one unit cells thick. We have studied the magnetic field and temperature dependence of the complex sheet conductance, sigma(omega), of these films. Experiments have been carried out at frequencies between 2 and 50 MHz using the single-spiral coil technique. We found that: (i) the inductive response starts at Delta T = 3K lower temperatures than Re sigma(T), which in turn is characterized by a peak close to the transition, (ii) this shift is almost constant with magnetic field up to 14 mT; (iii) Delta T increases sharply up to 4K at larger fields and becomes constant up to 8 T; (iv) the vortex diffusion constant D(T) is not linear with T at low temperatures as in the case of free vortices, but is rather exponential due to pinning of vortex cores, and (v) the dynamic Berezinski-Kosterlitz-Thouless (BKT) transition temperature occurs at the point where Y = (l(omega)/xi(+))(2) = 1. Our experimental results can be described well by the extended dynamic theory of the BKT transition and dynamics of bound vortex-antivortex pairs with short separation lengths. (C) 2015 AIP Publishing LLC. C1 [Gasparov, V. A.] Russian Acad Sci, Inst Solid State Phys, Chernogolovka 142432, Moscow District, Russia. [Bozovic, I.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Bozovic, I.] Yale Univ, Dept Appl Phys, New Haven, CT 06520 USA. RP Gasparov, VA (reprint author), Russian Acad Sci, Inst Solid State Phys, Chernogolovka 142432, Moscow District, Russia. EM vgasparo7@gmail.com FU Russian Academy of Sciences Program "Quantum mesoscopic and nonhomogeneous systems"; RFFI [12-02-00171]; U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division FX We are grateful to V. F. Gantmakher and R. Huguenin for helpful discussions. We would like to thank S. Zlobin for experimental aid. This work was supported in part by the Russian Academy of Sciences Program "Quantum mesoscopic and nonhomogeneous systems" and RFFI Grant 12-02-00171. The work at Brookhaven National Laboratory was supported by the U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division. NR 35 TC 1 Z9 1 U1 4 U2 22 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1063-777X EI 1090-6517 J9 LOW TEMP PHYS+ JI Low Temp. Phys. PD DEC PY 2015 VL 41 IS 12 BP 965 EP 970 DI 10.1063/1.4935694 PG 6 WC Physics, Applied SC Physics GA DA1HN UT WOS:000367547000003 ER PT J AU Shao, S Wang, J AF Shao, Shuai Wang, Jian TI Relaxation Mechanisms, Structure and Properties of Semi-Coherent Interfaces SO METALS LA English DT Article ID NANOLAYERED COMPOSITES; DISLOCATION NUCLEATION; DEFORMATION MECHANISMS; SCREW DISLOCATION; THIN-FILMS; BEHAVIOR; DEFECTS; TRANSMISSION; MULTILAYERS; BOUNDARY C1 [Shao, Shuai; Wang, Jian] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. RP Shao, S (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. EM sshao@lanl.gov; wangj6@gmail.com RI Wang, Jian/F-2669-2012; Shao, Shuai/B-2037-2014 OI Wang, Jian/0000-0001-5130-300X; Shao, Shuai/0000-0002-4718-2783 FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences; Center for Materials at Irradiation and Mechanical Extremes, an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [2008LANL1026]; Los Alamos National Laboratory Directed Research and Development [LDRD-ER20140450] FX S.S. and J.W. acknowledge the support provided by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. S.S. also thanks the support provided by the Center for Materials at Irradiation and Mechanical Extremes, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Grant No. 2008LANL1026. S.S and J.W. also acknowledge support provided by the Los Alamos National Laboratory Directed Research and Development (LDRD-ER20140450). J.W. also acknowledges the Start-up provided by the University of Nebraska-Lincoln. The valuable discussion with J.P. Hirth, Richard G. Hoagland, and Robert Pond is appreciated. NR 46 TC 0 Z9 0 U1 3 U2 10 PU MDPI AG PI BASEL PA POSTFACH, CH-4005 BASEL, SWITZERLAND SN 2075-4701 J9 METALS-BASEL JI Metals PD DEC PY 2015 VL 5 IS 4 BP 1887 EP 1901 PG 15 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA DA1GU UT WOS:000367545100010 ER PT J AU Forgan, EM Blackburn, E Holmes, AT Briffa, AKR Chang, J Bouchenoire, L Brown, SD Liang, RX Bonn, D Hardy, WN Christensen, NB von Zimmermann, M Hucker, M Hayden, SM AF Forgan, E. M. Blackburn, E. Holmes, A. T. Briffa, A. K. R. Chang, J. Bouchenoire, L. Brown, S. D. Liang, Ruixing Bonn, D. Hardy, W. N. Christensen, N. B. von Zimmermann, M. Huecker, M. Hayden, S. M. TI The microscopic structure of charge density waves in underdoped YBa2Cu3O6.54 revealed by X-ray diffraction SO NATURE COMMUNICATIONS LA English DT Article ID ORDER; SUPERCONDUCTOR AB Charge density wave (CDW) order appears throughout the underdoped high-temperature cuprate superconductors, but the underlying symmetry breaking and the origin of the CDW remain unclear. We use X-ray diffraction to determine the microscopic structure of the CDWs in an archetypical cuprate YBa2Cu3O6.54 at its superconducting transition temperature similar to 60 K. We find that the CDWs in this material break the mirror symmetry of the CuO2 bilayers. The ionic displacements in the CDWs have two components, which are perpendicular and parallel to the CuO2 planes, and are out of phase with each other. The planar oxygen atoms have the largest displacements, perpendicular to the CuO2 planes. Our results allow many electronic properties of the underdoped cuprates to be understood. For instance, the CDWs will lead to local variations in the electronic structure, giving an explicit explanation of density-wave states with broken symmetry observed in scanning tunnelling microscopy and soft X-ray measurements. C1 [Forgan, E. M.; Blackburn, E.; Holmes, A. T.; Briffa, A. K. R.] Univ Birmingham, Sch Phys & Astron, Birmingham B15 2TT, W Midlands, England. [Chang, J.] Univ Zurich, Inst Phys, CH-8057 Zurich, Switzerland. [Bouchenoire, L.; Brown, S. D.] European Synchrotron Radiat Facil, XMaS, F-38043 Grenoble, France. [Bouchenoire, L.; Brown, S. D.] Univ Liverpool, Dept Phys, Liverpool L69 3BX, Merseyside, England. [Liang, Ruixing; Bonn, D.; Hardy, W. N.] Univ British Columbia, Dept Phys & Astron, Vancouver, BC V6T 1Z1, Canada. [Christensen, N. B.] Tech Univ Denmark, Dept Phys, DK-2800 Lyngby, Denmark. [von Zimmermann, M.] Deutsches Elektronen Synchrotron DESY, D-22603 Hamburg, Germany. [Huecker, M.] Brookhaven Natl Lab, Condensed Matter Phys Mat Sci Dept, Upton, NY 11973 USA. [Hayden, S. M.] Univ Bristol, HH Wills Phys Lab, Bristol BS8 1TL, Avon, England. RP Forgan, EM (reprint author), Univ Birmingham, Sch Phys & Astron, Birmingham B15 2TT, W Midlands, England. EM E.M.Forgan@bham.ac.uk RI Hayden, Stephen/F-4162-2011; Christensen, Niels/A-3947-2012; Chang, Johan/F-1506-2014; OI Hayden, Stephen/0000-0002-3209-027X; Christensen, Niels/0000-0001-6443-2142; Chang, Johan/0000-0002-4655-1516; Bouchenoire, Laurence/0000-0002-9466-5956 FU UK EPSRC [EP/J016977/1, EP/J015423/1]; Swiss National Science Foundation; Danish Agency for Science, Technology and Innovation through DANSCATT [0602-01982B]; NSERC; Canadian Institute for Advanced Research; Office of Basic Energy Sciences, Division of Materials Science and Engineering, US Department of Energy (DOE) [DE-AC02-98CH10886]; US DOE [DE-AC02-06CH11357] FX We thank Martin Long and Radu Coldea for very helpful discussions and the UK EPSRC for funding under grant numbers EP/J016977/1 (E.B., E.M.F. and A.T.H.) and EP/J015423/1 (S.M.H.). XMaS is an EPSRC-funded mid-range facility. J.C. wishes to thank the Swiss National Science Foundation for support. N.B.C. was supported by the Danish Agency for Science, Technology and Innovation through DANSCATT and Grant No. 0602-01982B. Sample preparation was funded through NSERC and the Canadian Institute for Advanced Research. Work at Brookhaven is supported by the Office of Basic Energy Sciences, Division of Materials Science and Engineering, US Department of Energy (DOE), under Contract No. DE-AC02-98CH10886. We thank U. Ruett and D. Robinson for invaluable assistance with complementary higher energy measurements performed at P07, DESY & 6-ID-D, APS. Use of the Advanced Photon Source, an Office of Science User Facility operated for the US DOE Office of Science by Argonne National Laboratory, was supported by the US DOE under Contract No. DE-AC02-06CH11357. NR 33 TC 19 Z9 19 U1 1 U2 21 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 DEC PY 2015 VL 6 AR 10064 DI 10.1038/ncomms10064 PG 7 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DA1PU UT WOS:000367568500004 PM 26648114 ER PT J AU King, JP Jeong, KH Vassiliou, CC Shin, CS Page, RH Avalos, CE Wang, HJ Pines, A AF King, Jonathan P. Jeong, Keunhong Vassiliou, Christophoros C. Shin, Chang S. Page, Ralph H. Avalos, Claudia E. Wang, Hai-Jing Pines, Alexander TI Room-temperature in situ nuclear spin hyperpolarization from optically pumped nitrogen vacancy centres in diamond SO NATURE COMMUNICATIONS LA English DT Article ID LASER-POLARIZED XENON; NMR; LIQUIDS; PARAHYDROGEN; EXCHANGE; SOLIDS; FIELDS; STATE; BULK; MRI AB Low detection sensitivity stemming from the weak polarization of nuclear spins is a primary limitation of magnetic resonance spectroscopy and imaging. Methods have been developed to enhance nuclear spin polarization but they typically require high magnetic fields, cryogenic temperatures or sample transfer between magnets. Here we report bulk, room-temperature hyperpolarization of C-13 nuclear spins observed via high-field magnetic resonance. The technique harnesses the high optically induced spin polarization of diamond nitrogen vacancy centres at room temperature in combination with dynamic nuclear polarization. We observe bulk nuclear spin polarization of 6%, an enhancement of similar to 170,000 over thermal equilibrium. The signal of the hyperpolarized spins was detected in situ with a standard nuclear magnetic resonance probe without the need for sample shuttling or precise crystal orientation. Hyperpolarization via optical pumping/dynamic nuclear polarization should function at arbitrary magnetic fields enabling orders of magnitude sensitivity enhancement for nuclear magnetic resonance of solids and liquids under ambient conditions. C1 [King, Jonathan P.; Jeong, Keunhong; Vassiliou, Christophoros C.; Shin, Chang S.; Page, Ralph H.; Avalos, Claudia E.; Wang, Hai-Jing; Pines, Alexander] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [King, Jonathan P.; Jeong, Keunhong; Vassiliou, Christophoros C.; Shin, Chang S.; Avalos, Claudia E.; Wang, Hai-Jing; Pines, Alexander] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Pines, A (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM pines@berkeley.edu FU Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, of the US Department of Energy [DE-AC02-05CH11231]; Republic of Korea Army FX This work was supported by the Director, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, of the US Department of Energy under Contract No. DE-AC02-05CH11231. K.J. acknowledges fellowship support from the Republic of Korea Army. We thank Eric Scott and Melanie Drake for providing the diamond sample used in this study. We also thank Jeffrey Reimer, Birgit Hausmann and Carlos Meriles for helpful discussions. NR 29 TC 8 Z9 8 U1 8 U2 37 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 DEC PY 2015 VL 6 AR 8965 DI 10.1038/ncomms9965 PG 5 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DA1TL UT WOS:000367578300002 PM 26639147 ER PT J AU Kondo, T Nakayama, M Chen, R Ishikawa, JJ Moon, EG Yamamoto, T Ota, Y Malaeb, W Kanai, H Nakashima, Y Ishida, Y Yoshida, R Yamamoto, H Matsunami, M Kimura, S Inami, N Ono, K Kumigashira, H Nakatsuji, S Balents, L Shin, S AF Kondo, Takeshi Nakayama, M. Chen, R. Ishikawa, J. J. Moon, E. -G. Yamamoto, T. Ota, Y. Malaeb, W. Kanai, H. Nakashima, Y. Ishida, Y. Yoshida, R. Yamamoto, H. Matsunami, M. Kimura, S. Inami, N. Ono, K. Kumigashira, H. Nakatsuji, S. Balents, L. Shin, S. TI Quadratic Fermi node in a 3D strongly correlated semimetal SO NATURE COMMUNICATIONS LA English DT Article ID SPIN; STATE AB Strong spin-orbit coupling fosters exotic electronic states such as topological insulators and superconductors, but the combination of strong spin-orbit and strong electron-electron interactions is just beginning to be understood. Central to this emerging area are the 5d transition metal iridium oxides. Here, in the pyrochlore iridate Pr2Ir2O7, we identify a non-trivial state with a single-point Fermi node protected by cubic and time-reversal symmetries, using a combination of angle-resolved photoemission spectroscopy and first-principles calculations. Owing to its quadratic dispersion, the unique coincidence of four degenerate states at the Fermi energy, and strong Coulomb interactions, non-Fermi liquid behaviour is predicted, for which we observe some evidence. Our discovery implies that Pr2Ir2O7 is a parent state that can be manipulated to produce other strongly correlated topological phases, such as topological Mott insulator, Weyl semimetal, and quantum spin and anomalous Hall states. C1 [Kondo, Takeshi; Nakayama, M.; Ishikawa, J. J.; Yamamoto, T.; Ota, Y.; Malaeb, W.; Kanai, H.; Nakashima, Y.; Ishida, Y.; Yoshida, R.; Yamamoto, H.; Nakatsuji, S.; Shin, S.] Univ Tokyo, ISSP, Kashiwa, Chiba 2778581, Japan. [Chen, R.; Moon, E. -G.] Univ Calif Santa Barbara, Dept Phys, Santa Barbara, CA 93106 USA. [Chen, R.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Chen, R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. [Moon, E. -G.] Korea Adv Inst Sci & Technol, Dept Phys, Daejeon 305701, South Korea. [Malaeb, W.] Beirut Arab Univ, Fac Sci, Dept Phys, Beirut, Lebanon. [Matsunami, M.; Kimura, S.] UVSOR Facil, Inst Mol Sci, Okazaki, Aichi 4448585, Japan. [Matsunami, M.] Toyota Technol Inst, Energy Mat Lab, Nagoya, Aichi 4688511, Japan. [Kimura, S.] Osaka Univ, Grad Sch Frontier Biosci, Suita, Osaka 5650871, Japan. [Inami, N.; Ono, K.; Kumigashira, H.] High Energy Accelerator Res Org KEK, Inst Mat Struct Sci, Tsukuba, Ibaraki 3050801, Japan. [Nakatsuji, S.] Japan Sci & Technol Agcy JST, PRESTO, Kawaguchi, Saitama 3320012, Japan. [Balents, L.] Kavli Inst Theoret Phys, Santa Barbara, CA 93106 USA. RP Kondo, T (reprint author), Univ Tokyo, ISSP, Kashiwa, Chiba 2778581, Japan. EM kondo1215@issp.u-tokyo.ac.jp RI ISHIDA, Yukiaki/D-4261-2016; Kondo, Takeshi/H-2680-2016; Ono, Kanta/I-3226-2014; Moon, Eun-Gook/G-5019-2015 OI Ono, Kanta/0000-0002-3285-9093; FU JSPS KAKENHI [24740218, 25220707, 25707030]; Photon and Quantum Basic Research Coordinated Development Program from MEXT; PRESTO, Japan Science and Technology Agency [25707030]; Program for Advancing Strategic International Networks to Accelerate the Circulation of Talented Researchers from the Japanese Society for the Promotion of Science [R2604]; DOE [DE-FG02-08ER46524]; MRSEC Program of the NSF [DMR 1121053]; [15H05882]; [15H05883] FX This work was supported by JSPS KAKENHI (Nos 24740218, 25220707 and 25707030), by the Photon and Quantum Basic Research Coordinated Development Program from MEXT, by PRESTO, Japan Science and Technology Agency, Grants-in-Aid for Scientific Research (No. 25707030), by Grants-in-Aids for Scientific Research on Innovative Areas (15H05882 and 15H05883), and Program for Advancing Strategic International Networks to Accelerate the Circulation of Talented Researchers (No. R2604) from the Japanese Society for the Promotion of Science. L.B. and R.C. were supported by DOE grant DE-FG02-08ER46524, and E.-G.M. was supported by the MRSEC Program of the NSF under Award No. DMR 1121053. We thank D. Hamane for technical assistance in the SEM measurement. The use of the facilities (the Materials Design and Characterization Laboratory and the Electronic Microscope Section) at the Institute for Solid State Physics, The University of Tokyo, is gratefully acknowledged. NR 42 TC 18 Z9 18 U1 14 U2 41 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 DEC PY 2015 VL 6 AR 10042 DI 10.1038/ncomms10042 PG 8 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DA1PN UT WOS:000367567800002 PM 26640114 ER PT J AU Ma, J Wang, Z Wang, LW AF Ma, Jie Wang, Zhi Wang, Lin-Wang TI Interplay between plasmon and single-particle excitations in a metal nanocluster SO NATURE COMMUNICATIONS LA English DT Article ID ENHANCED RAMAN-SCATTERING; DENSITY-FUNCTIONAL THEORY; OPTICAL-PROPERTIES; HOT CARRIERS; NANOPARTICLES; MOLECULES; DEVICES; SILVER; SIZE; GENERATION AB Plasmon-generated hot carriers are used in photovoltaic or photochemical applications. However, the interplays between the plasmon and single-particle excitations in nanosystems have not been theoretically addressed using ab initio methods. Here we show such interplays in a Ag-55 nanocluster using real-time time-dependent density functional theory simulations. We find that the disappearance of the zero-frequency peak in the Fourier transform of the band-to-band transition coefficient is a hallmark of the plasmon. We show the importance of the d-states for hot-carrier generations. If the single-particle d-to-s excitations are resonant to the plasmon frequency, the majority of the plasmon energy will be converted into hot carriers, and the overall hot-carrier generation is enhanced by the plasmon; if such resonance does not exist, we observe an intriguing Rabi oscillation between the plasmon and hot carriers. Phonons play a minor role in plasmonic dynamics in such small systems. This study provides guidance on improving plasmonic applications. C1 [Ma, Jie; Wang, Lin-Wang] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint Ctr Artificial Photosynth, Berkeley, CA 94720 USA. [Ma, Jie; Wang, Zhi; Wang, Lin-Wang] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Wang, LW (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint Ctr Artificial Photosynth, Berkeley, CA 94720 USA. EM lwwang@lbl.gov FU Office of Science of the US Department of Energy [DE-SC0004993]; Office of Science of the DOE [DE-AC05-00OR22725] FX This material is based on the work performed by the Joint Center for Artificial Photosynthesis, a DOE Energy Innovation Hub, supported through the Office of Science of the US Department of Energy under Award number DE-SC0004993. We used the resource of National Energy Research Scientific Computing center (NERSC) located in Lawrence Berkeley National Laboratory. We also used computational resources of the Oak Ridge Leadership Computing Facility at the Oak Ridge National Laboratory, which is supported by the Office of Science of the DOE under contract No. DE-AC05-00OR22725, with computational time allocated by the Innovative and Novel Computational Impact on Theory and Experiment project. NR 51 TC 5 Z9 5 U1 17 U2 63 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 DEC PY 2015 VL 6 AR 10107 DI 10.1038/ncomms10107 PG 11 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DA1QG UT WOS:000367569800013 PM 26673449 ER PT J AU Palaniyappan, S Huang, CK Gautier, DC Hamilton, CE Santiago, MA Kreuzer, C Sefkow, AB Shah, RC Fernandez, JC AF Palaniyappan, Sasi Huang, Chengkun Gautier, Donald C. Hamilton, Christopher E. Santiago, Miguel A. Kreuzer, Christian Sefkow, Adam B. Shah, Rahul C. Fernandez, Juan C. TI Efficient quasi-monoenergetic ion beams from laser-driven relativistic plasmas SO NATURE COMMUNICATIONS LA English DT Article ID ACCELERATED PROTON-BEAMS; HIGH-INTENSITY LASER; PREFORMED PLASMA; IGNITION; TARGETS; PULSE; DYNAMICS; ELECTRON AB Table-top laser-plasma ion accelerators have many exciting applications, many of which require ion beams with simultaneous narrow energy spread and high conversion efficiency. However, achieving these requirements has been elusive. Here we report the experimental demonstration of laser-driven ion beams with narrow energy spread and energies up to 18 MeV per nucleon and similar to 5% conversion efficiency (that is 4 J out of 80-J laser). Using computer simulations we identify a self-organizing scheme that reduces the ion energy spread after the laser exits the plasma through persisting self-generated plasma electric (similar to 10(12) V m(-1)) and magnetic (similar to 10(4) T) fields. These results contribute to the development of next generation compact accelerators suitable for many applications such as isochoric heating for ion-fast ignition and producing warm dense matter for basic science. C1 [Palaniyappan, Sasi; Huang, Chengkun; Gautier, Donald C.; Hamilton, Christopher E.; Santiago, Miguel A.; Shah, Rahul C.; Fernandez, Juan C.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Kreuzer, Christian] Univ Munich, Munich, Germany. [Sefkow, Adam B.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Palaniyappan, S (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM sasi@lanl.gov; huangck@lanl.gov RI Fernandez, Juan/H-3268-2011; OI Fernandez, Juan/0000-0002-1438-1815; Gautier, Donald/0000-0001-7778-311X; Hamilton, Christopher/0000-0002-1605-5992; Huang, Chengkun/0000-0002-3176-8042 FU Los Alamos National Laboratory LDRD (Laboratory Directed Research and Development) program [20120721ECR, 20140483ER, 20140029DR] FX We gratefully acknowledge the support of the Los Alamos National Laboratory LDRD (Laboratory Directed Research and Development) program (projects 20120721ECR, 20140483ER, and 20140029DR) for this work. We also thank the capable and dedicated Trident laser personnel: R. P. Johnson, T. Shimada, R, Gonzales, S. Reid and R. Mortensen for the laser operation. The simulations were run using LANL Institutional Computing and ASC Capability Computing Campaign allocations. We thank L. Yin and B. Albright for their help with VPIC simulations. S. P thanks J. Schreiber for the thoughtful discussions. NR 63 TC 11 Z9 11 U1 8 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 DEC PY 2015 VL 6 AR 10170 DI 10.1038/ncomms10170 PG 12 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DA1RW UT WOS:000367574200002 PM 26657147 ER PT J AU Su, ZP Zhu, H Xiao, FL Zong, QG Zhou, XZ Zheng, HN Wang, YM Wang, S Hao, YX Gao, ZL He, ZG Baker, DN Spence, HE Reeves, GD Blake, JB Wygant, JR AF Su, Zhenpeng Zhu, Hui Xiao, Fuliang Zong, Q. -G. Zhou, X. -Z. Zheng, Huinan Wang, Yuming Wang, Shui Hao, Y. -X. Gao, Zhonglei He, Zhaoguo Baker, D. N. Spence, H. E. Reeves, G. D. Blake, J. B. Wygant, J. R. TI Ultra-low-frequency wave-driven diffusion of radiation belt relativistic electrons SO NATURE COMMUNICATIONS LA English DT Article ID VAN ALLEN PROBES; OUTER-ZONE ELECTRONS; WHISTLER-MODE CHORUS; INNER MAGNETOSPHERE; GEOMAGNETIC STORMS; ACCELERATION; ULF; ENERGIZATION; DYNAMICS; PARTICLE AB Van Allen radiation belts are typically two zones of energetic particles encircling the Earth separated by the slot region. How the outer radiation belt electrons are accelerated to relativistic energies remains an unanswered question. Recent studies have presented compelling evidence for the local acceleration by very-low-frequency (VLF) chorus waves. However, there has been a competing theory to the local acceleration, radial diffusion by ultra-low-frequency (ULF) waves, whose importance has not yet been determined definitively. Here we report a unique radiation belt event with intense ULF waves but no detectable VLF chorus waves. Our results demonstrate that the ULF waves moved the inner edge of the outer radiation belt earthward 0.3 Earth radii and enhanced the relativistic electron fluxes by up to one order of magnitude near the slot region within about 10 h, providing strong evidence for the radial diffusion of radiation belt relativistic electrons. C1 [Su, Zhenpeng; Zhu, Hui; Zheng, Huinan; Wang, Yuming; Wang, Shui; Gao, Zhonglei] Univ Sci & Technol China, Dept Geophys & Planetary Sci, CAS Key Lab Geospace Environm, Hefei 230026, Anhui, Peoples R China. [Su, Zhenpeng; Zheng, Huinan; Wang, Yuming; Wang, Shui] Univ Sci & Technol China, Collaborat Innovat Ctr Astronaut Sci & Technol, Hefei 230026, Anhui, Peoples R China. [Zhu, Hui; Gao, Zhonglei] Univ Sci & Technol China, Sch Earth & Space Sci, Mengcheng Natl Geophys Observ, Hefei 230026, Anhui, Peoples R China. [Xiao, Fuliang] Changsha Univ Sci & Technol, Sch Phys & Elect Sci, Changsha 410004, Hunan, Peoples R China. [Zong, Q. -G.; Zhou, X. -Z.; Hao, Y. -X.] Peking Univ, Inst Space Phys & Appl Technol, Beijing 100871, Peoples R China. [Wang, Yuming] Univ Sci & Technol China, Synerget Innovat Ctr Quantum Informat & Quantum P, Hefei 230026, Anhui, Peoples R China. [He, Zhaoguo] Harbin Inst Technol, Shenzhen Grad Sch, Shenzhen 518055, Guangdong, Peoples R China. [Baker, D. N.] Univ Colorado, Lab Atmospher & Space Phys, Boulder, CO 80303 USA. [Spence, H. E.] Univ New Hampshire, Inst Study Earth Oceans & Space, Durham, NH 03824 USA. [Reeves, G. D.] Los Alamos Natl Lab, Space Sci & Applicat Grp, Los Alamos, NM 87544 USA. [Blake, J. B.] Aerosp Corp, El Segundo, CA 90245 USA. [Wygant, J. R.] Univ Minnesota, Sch Phys & Astron, Minneapolis, MN 55455 USA. RP Su, ZP (reprint author), Univ Sci & Technol China, Dept Geophys & Planetary Sci, CAS Key Lab Geospace Environm, Hefei 230026, Anhui, Peoples R China. EM szpe@mail.ustc.edu.cn RI Xiao, Fuliang/B-9245-2011; Su, Zhenpeng/E-1641-2011; Zhou, Xuzhi/D-1831-2011; Wang, Yuming/A-8968-2012; OI Xiao, Fuliang/0000-0003-1487-6620; Su, Zhenpeng/0000-0001-5577-4538; Zhou, Xuzhi/0000-0003-4953-1761; Wang, Yuming/0000-0002-8887-3919; Gao, Zhonglei/0000-0001-7397-930X; Reeves, Geoffrey/0000-0002-7985-8098 FU National Natural Science Foundation of China [41422405, 41274169, 41274174]; Chinese Academy of Sciences [KZCX2-EW-QN510, KZZD-EW-01-4]; National Key Basic Research Special Foundation of China [2011CB811403]; Fundamental Research Funds for the Central Universities [WK2080000077] FX This work was supported by the National Natural Science Foundation of China grants 41422405, 41274169 and 41274174, the Chinese Academy of Sciences grants KZCX2-EW-QN510 and KZZD-EW-01-4, the National Key Basic Research Special Foundation of China grant 2011CB811403, the Fundamental Research Funds for the Central Universities WK2080000077. We acknowledge the University of Iowa as the source for the EMFISIS data in this study (this acknowledgement does not imply endorsement of the publication by the University of Iowa or its researchers), acknowledge J.H. King, N. Papatashvilli and CDAWeb for providing interplanetary parameters and magneto-spheric indices, and acknowledge C. Torrence and G. Compo for providing the wavelet analysis software. NR 60 TC 8 Z9 8 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 DEC PY 2015 VL 6 AR 10096 DI 10.1038/ncomms10096 PG 8 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DA1QG UT WOS:000367569800002 PM 26690250 ER PT J AU Ulvestad, A Welland, MJ Collins, SSE Harder, R Maxey, E Wingert, J Singer, A Hy, S Mulvaney, P Zapol, P Shpyrko, OG AF Ulvestad, A. Welland, M. J. Collins, S. S. E. Harder, R. Maxey, E. Wingert, J. Singer, A. Hy, S. Mulvaney, P. Zapol, P. Shpyrko, O. G. TI Avalanching strain dynamics during the hydriding phase transformation in individual palladium nanoparticles SO NATURE COMMUNICATIONS LA English DT Article ID OPEN 2-PHASE SYSTEMS; NANOCRYSTALLINE PALLADIUM; COHERENT INTERFACES; SINGLE-CRYSTAL; GRAIN-BOUNDARY; HYDROGEN; THERMODYNAMICS; ADSORPTION; KINETICS; EQUILIBRIUM AB Phase transitions in reactive environments are crucially important in energy and information storage, catalysis and sensors. Nanostructuring active particles can yield faster charging/discharging kinetics, increased lifespan and record catalytic activities. However, establishing the causal link between structure and function is challenging for nanoparticles, as ensemble measurements convolve intrinsic single-particle properties with sample diversity. Here we study the hydriding phase transformation in individual palladium nanocubes in situ using coherent X-ray diffractive imaging. The phase transformation dynamics, which involve the nucleation and propagation of a hydrogen-rich region, are dependent on absolute time (aging) and involve intermittent dynamics (avalanching). A hydrogen-rich surface layer dominates the crystal strain in the hydrogen-poor phase, while strain inversion occurs at the cube corners in the hydrogen-rich phase. A three-dimensional phase-field model is used to interpret the experimental results. Our experimental and theoretical approach provides a general framework for designing and optimizing phase transformations for single nanocrystals in reactive environments. C1 [Ulvestad, A.; Wingert, J.; Singer, A.; Shpyrko, O. G.] Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA. [Ulvestad, A.; Welland, M. J.; Zapol, P.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Collins, S. S. E.; Mulvaney, P.] Univ Melbourne, Sch Chem, Parkville, Vic 3010, Australia. [Collins, S. S. E.; Mulvaney, P.] Univ Melbourne, Inst Bio21, Parkville, Vic 3010, Australia. [Harder, R.; Maxey, E.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Hy, S.] Univ Calif San Diego, Dept Nano Engn, La Jolla, CA 92093 USA. RP Ulvestad, A (reprint author), Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA. EM aulvestad@anl.gov RI Ulvestad, Andrew/K-8888-2015 OI Ulvestad, Andrew/0000-0003-4611-2561 FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0001805]; Department of Energy (DOE) Office of Science, Basic Energy Sciences, Division of Materials Science and Engineering [DE-AC02-06CH11357]; ARC [LF100100117]; U.S. DOE Office of Science [DE-AC02-06CH11357] FX This work was supported by U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract DE-SC0001805. A.U. thanks the UCSD Inamori Fellowship. M.J.W. and P.Z. gratefully acknowledge the computing resources provided on the Blues high-performance computing cluster operated by the Laboratory Computing Resource Center at Argonne National Laboratory and support of the Department of Energy (DOE) Office of Science, Basic Energy Sciences, Division of Materials Science and Engineering under Contract No. DE-AC02-06CH11357. P.M. thanks the ARC for support through LF100100117. This research used resources of the Advanced Photon Source, a U.S. DOE Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory under Contract No. DE-AC02-06CH11357. We thank the staff at Argonne National Laboratory and the Advanced Photon Source for their support. NR 65 TC 5 Z9 5 U1 18 U2 46 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 DEC PY 2015 VL 6 AR 10092 DI 10.1038/ncomms10092 PG 8 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DA1QD UT WOS:000367569500005 PM 26655832 ER PT J AU Barbose, G Bird, L Heeter, J Flores-Espino, F Wiser, R AF Barbose, Galen Bird, Lori Heeter, Jenny Flores-Espino, Francisco Wiser, Ryan TI Costs and benefits of renewables portfolio standards in the United States SO RENEWABLE & SUSTAINABLE ENERGY REVIEWS LA English DT Review DE Renewable portfolio standard; Costs and benefits analysis; Cost caps; Renewable energy certificates ID POLICIES; ENERGY; DEPLOYMENT; PRICES AB Most state renewables portfolio standard (RPS) policies in the United States have five or more years of implementation experience. Understanding the costs and benefits of these policies is essential for RPS administrators tasked with implementation and for policymakers evaluating changes to existing or development of new RPS policies. This study estimates and summarizes historical RPS costs and benefits, and provides a critical examination of cost and benefit estimation methods used by utilities and regulators. We find that RPS compliance costs constituted less than 2% of average retail rates in most U.S. states over the 2010-2013 period, although substantial variation exists, both from year-to-year and across states. Compared to RPS costs, relatively few states have undertaken detailed estimates of broader societal benefits of RPS programs, and then only for a subset of potential impacts, typically some combination of avoided emissions and human health benefits, economic development impacts, and wholesale electricity market price reductions. Although direct comparison to RPS cost estimates is not possible, the available studies of broader RPS benefits suggest that in many cases these impacts may at least be of the same order of magnitude as costs, highlighting a need for more refined analysis. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Barbose, Galen; Wiser, Ryan] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Bird, Lori; Heeter, Jenny; Flores-Espino, Francisco] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Barbose, G (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM glbarbose@lbl.gov OI Flores-Espino, Francisco/0000-0002-7857-8342; Barbose, Galen/0000-0003-4687-2309 FU Office of Energy Efficiency & Renewable Energy of the U.S. Department of Energy [DE-AC02-05CH11231]; [DE-AC36-08GO28308] FX NREL is a national laboratory of the U.S. Department of Energy, Office of Energy Efficiency & Renewable Energy, operated by the Alliance for Sustainable Energy, LLC, under Contract DE-AC36-08GO28308. LBNL's contributions to this report were funded by the Office of Energy Efficiency & Renewable Energy of the U.S. Department of Energy under Contract no. DE-AC02-05CH11231. The authors would like to thank individual reviewers who provided comments on earlier drafts of this work, as well as Jarett Zuboy for editorial assistance. NR 39 TC 7 Z9 7 U1 7 U2 10 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1364-0321 J9 RENEW SUST ENERG REV JI Renew. Sust. Energ. Rev. PD DEC PY 2015 VL 52 BP 523 EP 533 DI 10.1016/j.rser.2015.07.175 PG 11 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels SC Science & Technology - Other Topics; Energy & Fuels GA DA4GI UT WOS:000367757800045 ER PT J AU Schuelke-Leech, BA Barry, B Muratori, M Yurkovich, BJ AF Schuelke-Leech, Beth-Anne Barry, Betsy Muratori, Matteo Yurkovich, B. J. TI Big Data issues and Opportunities for electric utilities SO RENEWABLE & SUSTAINABLE ENERGY REVIEWS LA English DT Review DE Electric utilities; Big Data Analytics; Smart grid; Data management; Policy discourse ID RESEARCH-AND-DEVELOPMENT; TECHNOLOGIES; INDUSTRIES; MARKETS; POWER AB Advances and innovations are crucial for a sustainable electricity system that includes smart grid technologies, renewable energy sources, and greater energy efficiency. These technologies are often layered on top of the existing infrastructure and legacy information systems. The management and utilization of the data generated from the different components of the electrical system are critical for the successful deployment and operation of this system. This paper reviews the issues and opportunities of the use of Big Data for electric utilities. Big Data provides the opportunity to better monitor, correct, and integrate smart grid technologies and renewable energy. At the same time, data management and utilization must be integrated into organizational operations if the potentials are to be realized. Electric utilities are conservative, heavily-regulated, and concerned with both system reliability and overall profitability. Thus, technological, economic, institutional, and policy constraints must all be addressed. After reviewing these issues and opportunities, we empirically analyze whether these are part of the discussions about electric utilities with federal policymakers. The results show that while conversations about electric utilities overall are plentiful, conversations about data in the context of electric utilities are relatively rare. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Schuelke-Leech, Beth-Anne] Ohio State Univ, John Glenn Coll Publ Affairs, Columbus, OH 43212 USA. [Schuelke-Leech, Beth-Anne; Yurkovich, B. J.] Ohio State Univ, CAR, Columbus, OH 43212 USA. [Barry, Betsy] Illocution Inc, Athens, GA 30605 USA. [Muratori, Matteo] Pacific NW Natl Lab, Joint Global Change Res Inst, College Pk, MD 20740 USA. RP Schuelke-Leech, BA (reprint author), Ohio State Univ, John Glenn Coll Publ Affairs, Columbus, OH 43212 USA. EM schuelke-leech.1@osu.edu; bbarry@illocutioninc.com; matteo.muratori@pnnl.gov; yurkovich.7@osu.edu NR 49 TC 2 Z9 2 U1 12 U2 37 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1364-0321 J9 RENEW SUST ENERG REV JI Renew. Sust. Energ. Rev. PD DEC PY 2015 VL 52 BP 937 EP 947 DI 10.1016/j.rser.2015.07.128 PG 11 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels SC Science & Technology - Other Topics; Energy & Fuels GA DA4GI UT WOS:000367757800079 ER PT J AU Rotenberg, E Bostwick, A AF Rotenberg, Eli Bostwick, Aaron TI Super lattice effects in graphene on SiC(0001) and Ir(111) probed by ARPES SO SYNTHETIC METALS LA English DT Article DE Graphene; Bandstructure; Symmetry; ARPES ID RESOLVED PHOTOEMISSION; ELECTRONIC-PROPERTIES; EPITAXIAL GRAPHENE; DOPED GRAPHENE; LAYER GRAPHENE; GRAPHITE; SPECTROSCOPY; SUPERCONDUCTORS; SYMMETRY; BANDGAP AB We review the angle-resolved photoemission spectroscopy (ARPES) technique and its applications to epitaxially grown graphenes. In particular we discuss the extraction of symmetry-breaking factors associated with superlattice formation due to substrate lattice mismatch. For UHV grown graphene on SiC, which has a quasi-13 x 13 superlattice (with respect to graphene), no coupling vectors exist to break the chiral symmetry, and a gap at E-D is not observed. For graphene on Ir(111), lattice mismatch induces a well-known Moire pattern with 10 x 10 (relative to graphene) symmetry. Despite the fact that chirality should be preserved under this symmetry, energy gaps are found at the main as well as the mini-Dirac crossings. A simple tight binding model that neglects chirality can explain the observed miniband spectrum in graphene on Ir(111). (C) 2015 Elsevier B.V. All rights reserved. C1 [Rotenberg, Eli; Bostwick, Aaron] EO Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Rotenberg, E (reprint author), EO Lawrence Berkeley Natl Lab, MS6-2100, Berkeley, CA 94720 USA. EM erotenberg@lbl.gov RI Rotenberg, Eli/B-3700-2009 OI Rotenberg, Eli/0000-0002-3979-8844 FU Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231] FX Access to previously unpublished graphene on Ir(111) figures was kindly provided by K. McCarty. The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 64 TC 1 Z9 1 U1 2 U2 19 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0379-6779 J9 SYNTHETIC MET JI Synth. Met. PD DEC PY 2015 VL 210 SI SI BP 85 EP 94 DI 10.1016/j.synthmet.2015.07.030 PN A PG 10 WC Materials Science, Multidisciplinary; Physics, Condensed Matter; Polymer Science SC Materials Science; Physics; Polymer Science GA DA4LA UT WOS:000367770200010 ER PT J AU Bao, J Hou, ZS Huang, MY Liu, Y AF Bao, Jie Hou, Zhangshuan Huang, Maoyi Liu, Ying TI On Approaches to Analyze the Sensitivity of Simulated Hydrologic Fluxes to Model Parameters in the Community Land Model SO WATER LA English DT Article DE sensitivity analysis; model selection; hydrologic parameters; Community Land Model ID REGRESSION; EMULATION; BOXPLOT AB Effective sensitivity analysis approaches are needed to identify important parameters or factors and their uncertainties in complex Earth system models composed of multi-phase multi-component phenomena and multiple biogeophysical-biogeochemical processes. In this study, the impacts of 10 hydrologic parameters in the Community Land Model on simulations of runoff and latent heat flux are evaluated using data from a watershed. Different metrics, including residual statistics, the Nash-Sutcliffe coefficient, and log mean square error, are used as alternative measures of the deviations between the simulated and field observed values. Four sensitivity analysis (SA) approaches, including analysis of variance based on the generalized linear model, generalized cross validation based on the multivariate adaptive regression splines model, standardized regression coefficients based on a linear regression model, and analysis of variance based on support vector machine, are investigated. Results suggest that these approaches show consistent measurement of the impacts of major hydrologic parameters on response variables, but with differences in the relative contributions, particularly for the secondary parameters. The convergence behaviors of the SA with respect to the number of sampling points are also examined with different combinations of input parameter sets and output response variables and their alternative metrics. This study helps identify the optimal SA approach, provides guidance for the calibration of the Community Land Model parameters to improve the model simulations of land surface fluxes, and approximates the magnitudes to be adjusted in the parameter values during parametric model optimization. C1 [Bao, Jie] Pacific NW Natl Lab, Expt & Computat Engn Grp, Richland, WA 99352 USA. [Hou, Zhangshuan] Pacific NW Natl Lab, Hydrol Grp, Richland, WA 99352 USA. [Huang, Maoyi; Liu, Ying] Pacific NW Natl Lab, Earth Syst Anal & Modeling Grp, Richland, WA 99352 USA. RP Bao, J (reprint author), Pacific NW Natl Lab, Expt & Computat Engn Grp, Richland, WA 99352 USA. EM jie.bao@pnnl.gov; zhangshuan.hou@pnnl.gov; maoyi.huang@pnnl.gov; ying.liu@pnnl.gov RI Huang, Maoyi/I-8599-2012; Hou, Zhangshuan/B-1546-2014 OI Huang, Maoyi/0000-0001-9154-9485; Hou, Zhangshuan/0000-0002-9388-6060 FU Office of Science Advanced Scientific Computing Research (ASCR); U.S. Department of Energy (DOE) Office of Science Biological and Environmental Research (BER) as part of the Earth System Modeling Program; DOE by Battelle Memorial Institute [DE-AC05-76RLO1830] FX This work is supported by the Office of Science Advanced Scientific Computing Research (ASCR), and partially by the U.S. Department of Energy (DOE) Office of Science Biological and Environmental Research (BER) as part of the Earth System Modeling Program. Pacific Northwest National Laboratory is operated for the DOE by Battelle Memorial Institute under Contract DE-AC05-76RLO1830. NR 57 TC 1 Z9 1 U1 1 U2 9 PU MDPI AG PI BASEL PA POSTFACH, CH-4005 BASEL, SWITZERLAND SN 2073-4441 J9 WATER-SUI JI Water PD DEC PY 2015 VL 7 IS 12 BP 6810 EP 6826 DI 10.3390/w7126662 PG 17 WC Water Resources SC Water Resources GA DA1CK UT WOS:000367533700009 ER PT J AU Bhimanapati, GR Lin, Z Meunier, V Jung, Y Cha, J Das, S Xiao, D Son, Y Strano, MS Cooper, VR Liang, LB Louie, SG Ringe, E Zhou, W Kim, SS Naik, RR Sumpter, BG Terrones, H Xia, FN Wang, YL Zhu, J Akinwande, D Alem, N Schuller, JA Schaak, RE Terrones, M Robinson, JA AF Bhimanapati, Ganesh R. Lin, Zhong Meunier, Vincent Jung, Yeonwoong Cha, Judy Das, Saptarshi Xiao, Di Son, Youngwoo Strano, Michael S. Cooper, Valentino R. Liang, Liangbo Louie, Steven G. Ringe, Emilie Zhou, Wu Kim, Steve S. Naik, Rajesh R. Sumpter, Bobby G. Terrones, Humberto Xia, Fengnian Wang, Yeliang Zhu, Jun Akinwande, Deji Alem, Nasim Schuller, Jon A. Schaak, Raymond E. Terrones, Mauricio Robinson, Joshua A. TI Recent Advances in Two-Dimensional Materials beyond Graphene SO ACS NANO LA English DT Review DE two-dimensional materials; graphene; heterostructures; transition metal dichalcogenide; phospherene; silicene; germanene; stanene; van der Waals epitaxy; van der Waals solid ID TRANSITION-METAL DICHALCOGENIDES; CHEMICAL-VAPOR-DEPOSITION; FIELD-EFFECT TRANSISTORS; DER-WAALS HETEROSTRUCTURES; DENSITY-FUNCTIONAL THEORY; HEXAGONAL BORON-NITRIDE; LAYER BLACK PHOSPHORUS; VERTICALLY ALIGNED LAYERS; MOLECULAR-BEAM EPITAXY; LARGE-AREA SYNTHESIS AB The isolation of graphene in 2004 from graphite was a defining moment for the "birth" of a field: two-dimensional (20) materials. In recent years, there has been a rapidly increasing number of papers focusing on non-graphene layered materials, including transition-metal dichalcogenides (TMDs), because of the new properties and applications that emerge upon 2D confinement. Here, we review significant recent advances and important new developments in 2D materials "beyond graphene". We provide insight into the theoretical modeling and understanding of the van der Waals (vdW) forces that hold together the 20 layers in bulk solids, as well as their excitonic properties and growth morphologies. Additionally, we highlight recent breakthroughs in TMD synthesis and characterization and discuss the newest families of 2D materials, including monoelement 20 materials (i.e., silicene, phosphorene, etc.) and transition metal carbide- and carbon nitride-based MXenes. We then discuss the doping and functionalization of 2D materials beyond graphene that enable device applications, followed by advances in electronic, optoelectronic, and magnetic devices and theory. Finally, we provide perspectives on the future of 20 materials beyond graphene. C1 [Bhimanapati, Ganesh R.; Alem, Nasim; Terrones, Mauricio; Robinson, Joshua A.] Penn State Univ, Ctr Dimens & Layered Mat 2, Dept Mat Sci & Engn, University Pk, PA 16802 USA. [Lin, Zhong; Zhu, Jun; Terrones, Mauricio] Penn State Univ, Ctr Dimens & Layered Mat 2, Dept Phys, University Pk, PA 16802 USA. [Jung, Yeonwoong] Univ Cent Florida, Dept Mat Sci & Engn, Nanosci Technol Ctr, Orlando, FL 32826 USA. [Cha, Judy] Yale Univ, Sch Engn & Appl Sci, Dept Mech Engn & Mat Sci, New Haven, CT 06520 USA. [Meunier, Vincent; Liang, Liangbo] Rensselaer Polytech Inst, Dept Phys Appl Phys & Astron, Troy, NY 12180 USA. [Meunier, Vincent; Liang, Liangbo; Terrones, Humberto] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Das, Saptarshi] Purdue Univ, Birck Nanotechnol Ctr, W Lafayette, IN 47907 USA. [Das, Saptarshi] Purdue Univ, Dept ECE, W Lafayette, IN 47907 USA. [Xiao, Di] Carnegie Mellon Univ, Dept Phys, Pittsburgh, PA 15213 USA. [Son, Youngwoo; Strano, Michael S.] MIT, Dept Chem Engn, Cambridge, MA 02139 USA. [Cooper, Valentino R.; Zhou, Wu; Sumpter, Bobby G.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Cooper, Valentino R.; Zhou, Wu; Sumpter, Bobby G.] Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. [Louie, Steven G.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Kim, Steve S.; Naik, Rajesh R.] Air Force Lab, Mat & Mfg Directorate, Wright Patterson AFB, OH 45433 USA. [Kim, Steve S.] UES Inc, Beavercreek, OH 45432 USA. [Xia, Fengnian] Yale Univ, Dept Elect Engn, New Haven, CT 06511 USA. [Louie, Steven G.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Wang, Yeliang] Chinese Acad Sci, Beijing Natl Lab Condensed Matter Phys, Inst Phys, Beijing 100190, Peoples R China. [Ringe, Emilie] Rice Univ, Dept Mat Sci & Nano Engn, Houston, TX 77005 USA. [Akinwande, Deji] Univ Texas Austin, Microelect Res Ctr, Austin, TX 78758 USA. [Schuller, Jon A.] Univ Calif Santa Barbara, Dept Elect & Comp Engn, Santa Barbara, CA 93106 USA. [Schaak, Raymond E.; Terrones, Mauricio] Penn State Univ, Dept Chem, University Pk, PA 16802 USA. [Schaak, Raymond E.; Terrones, Mauricio] Penn State Univ, Mat Res Inst, University Pk, PA 16802 USA. RP Robinson, JA (reprint author), Penn State Univ, Ctr Dimens & Layered Mat 2, Dept Mat Sci & Engn, University Pk, PA 16802 USA. EM jrobinson@psu.edu RI Xiao, Di/B-1830-2008; WANG, Yeliang/D-9643-2012; Schuller, Jon/G-3846-2011; Sumpter, Bobby/C-9459-2013; Cooper, Valentino /A-2070-2012; Zhu, Jun/A-1610-2014; Liang, Liangbo/H-4486-2011; Lin, Zhong/O-4339-2014; Zhou, Wu/D-8526-2011 OI Meunier, Vincent/0000-0002-7013-179X; Xiao, Di/0000-0003-0165-6848; Sumpter, Bobby/0000-0001-6341-0355; Cooper, Valentino /0000-0001-6714-4410; Liang, Liangbo/0000-0003-1199-0049; Zhou, Wu/0000-0002-6803-1095 FU Corning, Inc.; Kyma Technologies; FEI; Oak Ridge Associated Universities (ORAU); Penn State Materials Research Institute; Center for Nanoscale Science; NSF; DOE; DARPA; STARnet; NYStar; ONR; DTRA; AFRL; ARO; AFOSR FX This review was developed out of the workshop "Beyond Graphene: From Atoms to Applications", hosted by the Penn State Center for Two-Dimensional and Layered Materials on May 11-12, 2015 with sponsorship from Corning, Inc., Kyma Technologies, FEI, and Oak Ridge Associated Universities (ORAU). Support was also provided by the Penn State Materials Research Institute and Center for Nanoscale Science. JAR. and M.T. also wish to acknowledge Rosemary Bittel for logistical support. Finally, the authors would like to acknowledge those agencies who have funded their research in 20 materials: NSF, DOE, DARPA, STARnet, NYStar, ONR, DTRA, AFRL, ARO, AFOSR. NR 412 TC 148 Z9 148 U1 428 U2 1270 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 DEC PY 2015 VL 9 IS 12 BP 11509 EP 11539 DI 10.1021/acsnano.5b05556 PG 31 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA CZ7LE UT WOS:000367280100002 PM 26544756 ER PT J AU Erikson, KJ He, XW Talin, AA Mills, B Hauge, RH Iguchi, T Fujimura, N Kawano, Y Kono, J Leonard, F AF Erikson, Kristopher J. He, Xiaowei Talin, A. Alec Mills, Bernice Hauge, Robert H. Iguchi, Takashi Fujimura, Naoki Kawano, Yukio Kono, Junichiro Leonard, Francois TI Figure of Merit for Carbon Nanotube Photothermoelectric Detectors SO ACS NANO LA English DT Article DE carbon nanotubes; photodetector; thermoelectric; photothermoelectric; Joule heating ID BROAD-BAND; FILMS; PHOTODETECTOR; NOISE AB Carbon nanotubes (CNTs) have emerged as promising materials for visible, infrared, and terahertz photodetectors. Further development of these photodetectors requires a fundamental understanding of the mechanisms that govern their behavior as well as the establishment of figures of merit for technology applications. Recently, a number of CNT detectors have been shown to operate based on the photothermoelectric effect. Here we present a figure of merit for these detectors, which includes the properties of the material and the device. In addition, we use a suite of experimental characterization methods for the thorough analysis of the electrical, thermoelectric, electrothermal, and photothermal properties of the CNT thin-film devices. Our measurements determine the quantities that enter the figure of merit and allow us to establish a path toward future performance improvements. C1 [Erikson, Kristopher J.; Talin, A. Alec; Mills, Bernice; Leonard, Francois] Sandia Natl Labs, Livermore, CA 94551 USA. [He, Xiaowei; Kono, Junichiro] Rice Univ, Dept Elect & Comp Engn, Houston, TX 77005 USA. [Hauge, Robert H.] Rice Univ, Dept Chem, Houston, TX 77005 USA. [Iguchi, Takashi; Fujimura, Naoki; Kawano, Yukio] Tokyo Inst Technol, Dept Phys Elect, Quantum Nanoelect Res Ctr, Meguro Ku, Tokyo 1528552, Japan. RP Kono, J (reprint author), Rice Univ, Dept Elect & Comp Engn, Houston, TX 77005 USA. EM kono@rice.edu; fleonar@sandia.gov OI Fujimura, Naoki/0000-0002-0421-2065 FU U.S. Department of Energy, Office of Science, under the National Institute for Nano Engineering (NINE) at Sandia National Laboratories; Lockheed-Martin Rice University LANCER Program; DOE [BES DE-FG02-06ER46308]; Robert A. Welch Foundation [C-1509]; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was supported by the U.S. Department of Energy, Office of Science, under the National Institute for Nano Engineering (NINE) at Sandia National Laboratories, and by the Lockheed-Martin Rice University LANCER Program. X.H. and J.K. were supported by DOE BES DE-FG02-06ER46308 (preparation and teraherz/infrared characterization of aligned carbon nanotubes) and the Robert A. Welch Foundation Grant No. C-1509 (detector fabrication). 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 20 TC 4 Z9 4 U1 9 U2 56 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 DEC PY 2015 VL 9 IS 12 BP 11618 EP 11627 DI 10.1021/acsnano.5b06160 PG 10 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA CZ7LE UT WOS:000367280100012 PM 26512738 ER PT J AU Ievlev, AV Jesse, S Cochell, TJ Unocic, RR Protopopescu, VA Kalinin, SV AF Ievlev, Anton V. Jesse, Stephen Cochell, Thomas J. Unocic, Raymond R. Protopopescu, Vladimir A. Kalinin, Sergei V. TI Quantitative Description of Crystal Nucleation and Growth from in Situ Scanning Transmission Electron Microscopy SO ACS NANO LA English DT Article DE platinum nanoparticles; nucleation and growth; local kinetics; (scanning) transmission electron microscopy; inverse problem ID GOLD NANOPARTICLES; CDSE NANOCRYSTALS; SOLAR-CELLS; LIQUID; SEMICONDUCTOR; INTERFACE; CATALYSIS; OXIDE; TIO2 AB Recent advances in liquid cell (scanning) transmission electron microscopy (S)TEM has enabled in situ nanoscale investigations of controlled nanocrystal growth mechanisms. Here, we experimentally and quantitatively investigated the nucleation and growth mechanisms of Pt nanostructures from an aqueous solution of K2PtCl6. Averaged statistical, network, and local approaches have been used for the data analysis and the description of both collective particles dynamics and local growth features. In particular, interaction between neighboring particles has been revealed and attributed to reduction of the platinum concentration in the vicinity of the particle boundary. The local approach for solving the inverse problem showed that particles dynamics can be simulated by a stationary diffusional model. The obtained results are important for understanding nanocrystal formation and growth processes and for optimization of synthesis conditions. C1 [Ievlev, Anton V.; Jesse, Stephen; Unocic, Raymond R.; Protopopescu, Vladimir A.; Kalinin, Sergei V.] Oak Ridge Natl Lab, Inst Funct Imaging Mat, Oak Ridge, TN 37831 USA. [Ievlev, Anton V.; Jesse, Stephen; Unocic, Raymond R.; Kalinin, Sergei V.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Cochell, Thomas J.] Univ Kentucky, Dept Chem & Mat Engn, Lexington, KY 40506 USA. [Protopopescu, Vladimir A.] Oak Ridge Natl Lab, Computat Sci & Engn Div, Oak Ridge, TN 37831 USA. RP Ievlev, AV (reprint author), Oak Ridge Natl Lab, Inst Funct Imaging Mat, One Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM ievlevav@ornl.gov RI Jesse, Stephen/D-3975-2016; Ievlev, Anton/H-3678-2012 OI Jesse, Stephen/0000-0002-1168-8483; Ievlev, Anton/0000-0003-3645-0508 NR 24 TC 4 Z9 4 U1 10 U2 65 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 DEC PY 2015 VL 9 IS 12 BP 11784 EP 11791 DI 10.1021/acsnano.5b03720 PG 8 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA CZ7LE UT WOS:000367280100027 PM 26509714 ER PT J AU Song, JX Yu, ZX Gordin, ML Li, XL Peng, HS Wang, DH AF Song, Jiangxuan Yu, Zhaoxin Gordin, Mikhail L. Li, Xiaolin Peng, Huisheng Wang, Donghai TI Advanced Sodium Ion Battery Anode Constructed via Chemical Bonding between Phosphorus, Carbon Nanotube, and Cross-Linked Polymer Binder SO ACS NANO LA English DT Article DE sodium ion battery; phosphorus; carbon nanotube; chemical bonding; cross-linked binder ID HIGH-PERFORMANCE ANODE; LITHIUM-SULFUR BATTERIES; SUPERIOR RATE CAPABILITY; HIGH-CAPACITY; ENHANCED PERFORMANCE; SILICON NANOWIRES; ENERGY-STORAGE; RED PHOSPHORUS; CYCLE LIFE; LOW-COST AB Maintaining structural stability is a great challenge for high-capacity conversion electrodes with large volume change but is necessary for the development of high-energy-density, long-cycling batteries. Here, we report a stable phosphorus anode for sodium ion batteries by the synergistic use of chemically bonded phosphorus-carbon nanotube (P-CNT) hybrid and crosslinked polymer binder. The P-CNT hybrid was synthesized through ball-milling of red phosphorus and carboxylic group functionalized carbon nanotubes. The P-O-C bonds formed in this process help maintain contact between phosphorus and CNTs, leading to a durable hybrid. In addition, cross-linked carboxymethyl cellulose-citric acid binder was used to form a robust electrode. As a result, this anode delivers a stable cycling capacity of 1586.2 mAh/g after 100 cycles, along with high initial Coulombic efficiency of 84.7% and subsequent cycling efficiency of similar to 99%. The unique electrode framework through chemical bonding strategy reported here is potentially inspirable for other electrode materials with large volume change in use. C1 [Song, Jiangxuan; Yu, Zhaoxin; Gordin, Mikhail L.; Wang, Donghai] Penn State Univ, Dept Mech & Nucl Engn, University Pk, PA 16802 USA. [Li, Xiaolin] Pacific NW Natl Lab, Dept Stationary Energy Storage, Richland, WA 99354 USA. [Peng, Huisheng] Fudan Univ, State Key Lab Mol Engn Polymers, Shanghai 200438, Peoples R China. [Peng, Huisheng] Fudan Univ, Adv Mat Lab, Shanghai 200438, Peoples R China. RP Wang, DH (reprint author), Penn State Univ, Dept Mech & Nucl Engn, University Pk, PA 16802 USA. EM dwang@psu.edu RI Wang, Donghai/L-1150-2013; Peng, Huisheng/G-8867-2011 OI Wang, Donghai/0000-0001-7261-8510; FU U.S. Department of Energy's (DOE's) Office of Electricity Delivery & Energy Reliability (OE) [57558]; State Key Laboratory of Molecular Engineering of Polymers at Fudan University FX We acknowledge financial support from the U.S. Department of Energy's (DOE's) Office of Electricity Delivery & Energy Reliability (OE) (under Contract No. 57558). We also are grateful for enlightening discussions with Dr. Imre Gyuk of the DOE-OE Grid Storage Program. H.P. and D.W. acknowledge financial support from a Visiting Scholarship Fund from the State Key Laboratory of Molecular Engineering of Polymers at Fudan University. NR 48 TC 29 Z9 29 U1 68 U2 284 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 DEC PY 2015 VL 9 IS 12 BP 11933 EP 11941 DI 10.1021/acsnano.5b04474 PG 9 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA CZ7LE UT WOS:000367280100042 PM 26498828 ER PT J AU Merrill, NA McKee, EM Merino, KC Drummy, LF Lee, S Reinhart, B Ren, Y Frenkel, AI Naik, RR Bedford, NM Knecht, MR AF Merrill, Nicholas A. McKee, Erik M. Merino, Kyle C. Drummy, Lawrence F. Lee, Sungsik Reinhart, Benjamin Ren, Yang Frenkel, Anatoly I. Naik, Rajesh R. Bedford, Nicholas M. Knecht, Marc R. TI Identifying the Atomic-Level Effects of Metal Composition on the Structure and Catalytic Activity of Peptide-Templated Materials SO ACS NANO LA English DT Article DE bimetallic nanostructures; peptide templates; bioinspired; X-ray analysis; catalysis ID X-RAY-DIFFRACTION; BIMETALLIC NANOPARTICLES; GOLD NANOPARTICLES; NANOMATERIAL SYNTHESIS; PDAU NANOPARTICLES; PROTEIN CAGE; PALLADIUM; HYDROGENATION; FERRITIN; MORPHOGENESIS AB Bioinspired approaches for the formation of metallic nanomaterials have been extensively employed for a diverse range of applications including diagnostics and catalysis. These materials can often be used under sustainable conditions; however, it is challenging to control the material size, morphology, and composition simultaneously. Here we have employed the R5 peptide, which forms a 3D scaffold to direct the size and linear shape of bimetallic PdAu nanomaterials for catalysis. The materials were prepared at varying Pd:Au ratios to probe optimal compositions to achieve maximal catalytic efficiency. These materials were extensively characterized at the atomic level using transmission electron microscopy, extended X-ray absorption fine structure spectroscopy, and atomic pair distribution function analysis derived from high-energy X-ray diffraction patterns to provide highly resolved structural information. The results confirmed PdAu alloy formation, but also demonstrated that significant surface structural disorder was present. The catalytic activity of the materials was studied for olefin hydrogenation, which demonstrated enhanced reactivity from the bimetallic structures. These results present a pathway to the bioinspired production of multimetallic materials with enhanced properties, which can be assessed via a suite of characterization methods to fully ascertain structure/function relationships. C1 [Merrill, Nicholas A.; McKee, Erik M.; Merino, Kyle C.; Bedford, Nicholas M.; Knecht, Marc R.] Univ Miami, Dept Chem, Coral Gables, FL 33146 USA. [Drummy, Lawrence F.; Naik, Rajesh R.; Bedford, Nicholas M.] US Air Force, Mat & Mfg Directorate, Res Lab, Dayton, OH 45433 USA. [Lee, Sungsik; Reinhart, Benjamin; Ren, Yang] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. [Frenkel, Anatoly I.] Yeshiva Univ, Dept Phys, New York, NY 10016 USA. [Bedford, Nicholas M.] NIST, Appl Chem & Mat Div, Boulder, CO 80305 USA. RP Bedford, NM (reprint author), Univ Miami, Dept Chem, 1301 Mem Dr, Coral Gables, FL 33146 USA. EM nicholas.bedford@nist.gov; knecht@miami.edu RI Frenkel, Anatoly/D-3311-2011 OI Frenkel, Anatoly/0000-0002-5451-1207 FU National Science Foundation [DMR-1145175]; Air Force Office of Scientific Research; National Research Council; Division of Chemical Sciences, Geosciences, and Biosciences within the U.S. Department of Energy Office of Basic Energy Sciences [DE-FG02-03ER15476]; U.S. DOE [DE-AC02-06CH11357] FX This work was supported in part by the National Science Foundation (MRK: DMR-1145175) and the Air Force Office of Scientific Research (RRN). N.M.B. acknowledges fellowship support from National Research Council Associateship award during the initial phases of this work. A.I.F. acknowledges funding by the Division of Chemical Sciences, Geosciences, and Biosciences within the U.S. Department of Energy Office of Basic Energy Sciences, Grant No. DE-FG02-03ER15476. 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 66 TC 5 Z9 5 U1 8 U2 35 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 DEC PY 2015 VL 9 IS 12 BP 11968 EP 11979 DI 10.1021/acsnano.5b04665 PG 12 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA CZ7LE UT WOS:000367280100046 PM 26497843 ER PT J AU Tsai, HZ Omrani, AA Coh, S Oh, H Wickenburg, S Son, YW Wong, D Riss, A Jung, HS Nguyen, GD Rodgers, GF Aikawa, AS Taniguchi, T Watanabe, K Zettl, A Louie, SG Lu, J Cohen, ML Crommie, MF AF Tsai, Hsin-Zon Omrani, Arash A. Coh, Sinisa Oh, Hyungju Wickenburg, Sebastian Son, Young-Woo Wong, Dillon Riss, Alexander Jung, Han Sae Nguyen, Giang D. Rodgers, Griffin F. Aikawa, Andrew S. Taniguchi, Takashi Watanabe, Kenji Zettl, Alex Louie, Steven G. Lu, Jiong Cohen, Marvin L. Crommie, Michael F. TI Molecular Self-Assembly in a Poorly Screened Environment: F(4)TCNQ on Graphene/BN SO ACS NANO LA English DT Article DE molecular self-assembly; graphene; hexagonal boron nitride (BN); scanning tunneling microscopy (STM); noncontact atomic force microscopy (nc-AFM); density functional theory (DFT) ID SCANNING-TUNNELING-MICROSCOPY; CHARGE-TRANSFER; TETRAFLUORO-TETRACYANOQUINODIMETHANE; EPITAXIAL GRAPHENE; SURFACE; METAL AB We report a scanning tunneling microscopy and noncontact atomic force microscopy study of close-packed 20 islands of tetrafluoro-tetracyanoquinodimethane (F(4)TCNQ) molecules at the surface of a graphene layer supported by boron nitride. While F(4)TCNQ molecules are known to form cohesive 3D solids, the intermolecular interactions that are attractive for F(4)TCNQ in 3D are repulsive in 2D. Our experimental observation of cohesive molecular behavior for F(4)TCNQ on graphene is thus unexpected. This self-assembly behavior can be explained by a novel solid formation mechanism that occurs when charged molecules are placed in a poorly screened environment. As negatively charged molecules coalesce, the local work function increases, causing electrons to flow into the coalescing molecular island and increase its cohesive binding energy. C1 [Tsai, Hsin-Zon; Omrani, Arash A.; Coh, Sinisa; Oh, Hyungju; Wickenburg, Sebastian; Son, Young-Woo; Wong, Dillon; Riss, Alexander; Jung, Han Sae; Nguyen, Giang D.; Rodgers, Griffin F.; Aikawa, Andrew S.; Zettl, Alex; Louie, Steven G.; Lu, Jiong; Cohen, Marvin L.; Crommie, Michael F.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Coh, Sinisa; Oh, Hyungju; Wickenburg, Sebastian; Son, Young-Woo; Zettl, Alex; Louie, Steven G.; Cohen, Marvin L.; Crommie, Michael F.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Son, Young-Woo] Korea Inst Adv Study, Seoul 130722, South Korea. [Taniguchi, Takashi; Watanabe, Kenji] Natl Inst Mat Sci, Tsukuba, Ibaraki 3050044, Japan. [Crommie, Michael F.] Univ Calif Berkeley, Kavli Energy NanoSci Inst, Berkeley, CA 94720 USA. [Crommie, Michael F.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Lu, Jiong] Natl Univ Singapore, Dept Chem, Singapore 117543, Singapore. [Lu, Jiong] Natl Univ Singapore, Ctr Adv Mat 2D, Singapore 117546, Singapore. [Lu, Jiong] Natl Univ Singapore, Graphene Res Ctr, Singapore 117546, Singapore. RP Louie, SG (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. EM sglouie@berkeley.edu; chmluj@nus.edu.sg; micohen@berkeley.edu; crommie@berkeley.edu RI Tsai, Hsin-Zon/J-1682-2016; TANIGUCHI, Takashi/H-2718-2011; WATANABE, Kenji/H-2825-2011; Lu, Jiong/D-8218-2014; Zettl, Alex/O-4925-2016; Nguyen, Giang/R-1287-2016 OI Tsai, Hsin-Zon/0000-0003-2097-0170; WATANABE, Kenji/0000-0003-3701-8119; Lu, Jiong/0000-0002-3690-8235; Zettl, Alex/0000-0001-6330-136X; Nguyen, Giang/0000-0003-4125-8203 FU Office of Science, Office of Basic Energy Sciences of the U.S. Department of Energy (DOE) [DE-AC02-05CH11231]; National Science Foundation [DMR-1206512]; Department of Defense (DoD) [32 CFR 168a]; Swiss National Science Foundation (SNSF) [P2ELP2-151852]; National Research Foundation, Prime Minister Office, Singapore [R-144-000-295-281]; Austrian Science Fund (FWF) [J3026-N16]; MEXT Japan Elemental Strategy Initiative; JSPS [25107004, 25106006] FX This research was supported by the Director, Office of Science, Office of Basic Energy Sciences of the U.S. Department of Energy (DOE), contract no. DE-AC02-05CH11231 Nanomachine program (STM imaging, sample synthesis, theory) and Molecular Foundry (graphene growth, growth characterization), and by National Science Foundation grant DMR-1206512 (device characterization). Computational resources were provided by the DOE at Lawrence Berkeley National Laboratory's NERSC facility. D.W. was supported by the Department of Defense (DoD) through the National Defense Science & Engineering Graduate Fellowship (NDSEG) Program, 32 CFR 168a. A.A.O. acknowledges support from the Swiss National Science Foundation (SNSF) Postdoctoral Research Fellowship under Grant No. P2ELP2-151852. J.L. acknowledges fellowship support from the National Research Foundation, Prime Minister Office, Singapore, under its Medium Sized Centre Programme and CRP award no. R-144-000-295-281. A.R. acknowledges fellowship support by the Austrian Science Fund (FWF): J3026-N16. K.W. and T.T. acknowledge support from the MEXT Japan Elemental Strategy Initiative (synthesis of BN crystals) and JSPS Grant-in-Aid for Scientific Research on Innovative Areas no. 25107004 (characterization of BN crystals). T.T. acknowledges support from a JSPS Grant-in-Aid for Scientific Research on Innovative Areas no. 25106006 (development of high pressure BN synthesis instrumentation). We acknowledge Vitor M. Pereira for useful discussions. NR 38 TC 4 Z9 4 U1 17 U2 75 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 DEC PY 2015 VL 9 IS 12 BP 12168 EP 12173 DI 10.1021/acsnano.5b05322 PG 6 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA CZ7LE UT WOS:000367280100065 PM 26482218 ER PT J AU Xia, M Yin, KB Capellini, G Niu, G Gong, YJ Zhou, W Ajayan, PM Xie, YH AF Xia, Ming Yin, Kuibo Capellini, Giovanni Niu, Gang Gong, Yongji Zhou, Wu Ajayan, Pulickel M. Xie, Ya-Hong TI Spectroscopic Signatures of AA ' and AB Stacking of Chemical Vapor Deposited Bilayer MoS2 SO ACS NANO LA English DT Article DE molybdenum disulfide; bilayer stacking; Au nanopyramids; photoluminescence; resonance Raman ID MOLYBDENUM-DISULFIDE; MONOLAYER MOS2; ELECTRONIC-STRUCTURE; VALLEY POLARIZATION; RAMAN-SCATTERING; PHASE GROWTH; GRAPHENE; SPIN; PHOTOLUMINESCENCE; SYMMETRY AB Prominent resonance Raman and photoluminescence spectroscopic differences between AA' and AB stacked bilayer molybdenum disulfide (MoS2) grown by chemical vapor deposition are reported. Bilayer MoS2 islands consisting of the two stacking orders were obtained under identical growth conditions. Resonance Raman and photoluminescence spectra of AA' and AB stacked bilayer MoS2 were obtained on Au nanopyramid surfaces under strong plasmon resonance. Both resonance Raman and photoluminescence spectra show distinct features indicating clear differences in interlayer interaction between these two phases. The implication of these findings on device applications based on spin and valley degrees of freedom will be discussed. C1 [Xia, Ming; Xie, Ya-Hong] Univ Calif Los Angeles, Dept Mat Sci & Engn, Los Angeles, CA 90095 USA. [Yin, Kuibo; Gong, Yongji; Ajayan, Pulickel M.] Rice Univ, Dept Mat Sci & NanoEngngn, Houston, TX 77005 USA. [Yin, Kuibo] Southeast Univ, SEU FEI Nanopico Ctr, Key Lab MEMS, Minist Educ, Nanjing 210096, Jiangsu, Peoples R China. [Yin, Kuibo; Zhou, Wu] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Capellini, Giovanni; Niu, Gang] Innovat High Performance, D-15236 Frankfurt, Germany. RP Xie, YH (reprint author), Univ Calif Los Angeles, Dept Mat Sci & Engn, Los Angeles, CA 90095 USA. EM yhx@ucla.edu RI Zhou, Wu/D-8526-2011; Xia, Ming/B-1014-2016; Yin, Kuibo/G-5812-2011; Gong, Yongji/L-7628-2016 OI Zhou, Wu/0000-0002-6803-1095; Xia, Ming/0000-0001-6028-4437; Yin, Kuibo/0000-0001-5268-6807; FU FAME, one of six centers of STARnet, a Semiconductor Research Corporation program - MARCO; DARPA; Alexander von Humboldt Foundation; U.S. Department of Energy, Office of Science, Basic Energy Science, Materials Sciences and Engineering Division; ORNL's Center for Nanophase Materials Sciences (CNMS), which is a DOE Office of Science User Facility; China Scholarship Council [201208320383]; National Natural Science Foundation of China [11204034]; Natural Science Foundation of Jiangsu Province [BK2012123] FX This work was supported in part by FAME, one of six centers of STARnet, a Semiconductor Research Corporation program sponsored by MARCO and DARPA. Y.-H.X. acknowledges the support from Alexander von Humboldt Foundation Research Award. Electron microscopy study was supported in part by the U.S. Department of Energy, Office of Science, Basic Energy Science, Materials Sciences and Engineering Division (K.Y, and W.Z), and through a user project at ORNL's Center for Nanophase Materials Sciences (CNMS), which is a DOE Office of Science User Facility. K.Y. acknowledges the scholarship from China Scholarship Council (No. 201208320383) and the support from National Natural Science Foundation of China (No. 11204034) and the Natural Science Foundation of Jiangsu Province (No. BK2012123). NR 46 TC 9 Z9 9 U1 12 U2 64 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 DEC PY 2015 VL 9 IS 12 BP 12246 EP 12254 DI 10.1021/acsnano.5b05474 PG 9 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA CZ7LE UT WOS:000367280100074 PM 26536495 ER PT J AU Susner, MA Belianinov, A Borisevich, A He, Q Chyasnavichyus, M Demir, H Sholl, DS Ganesh, P Abernathy, DL McGuire, MA Maksymovych, P AF Susner, Michael A. Belianinov, Alex Borisevich, Albina He, Qian Chyasnavichyus, Marius Demir, Hakan Sholl, David S. Ganesh, Panchapakesan Abernathy, Douglas L. McGuire, Michael A. Maksymovych, Petro TI High-T-c Layered Ferrielectric Crystals by Coherent Spinodal Decomposition SO ACS NANO LA English DT Article DE 2D ferrielectric; transition metal thiophosphate; spinodal decomposition; 2D heterostructures; chalcogenides ID PIEZORESPONSE FORCE MICROSCOPY; TEMPERATURE-DEPENDENCE; DIELECTRIC-PROPERTIES; PHASE-TRANSITIONS; HETEROSTRUCTURES; FERROELECTRICS; TRANSPORT; CUINP2S6; PRESSURE; PBTIO3 AB Research in the rapidly developing field of 2D electronic materials has thus far been focused on metallic and semiconducting materials. However, complementary dielectric materials such as nonlinear dielectrics are needed to enable realistic device architectures. Candidate materials require tunable dielectric properties and pathways for heterostructure assembly. Here we report on a family of cation-deficient transition metal thiophosphates whose unique chemistry makes them a viable prospect for these applications. In these materials, naturally occurring ferrielectric heterostructures composed of centrosymmetric In4/3P2S6 and ferrielectrically active CuInP2S6 are realized by controllable chemical phase separation in van der Waals bonded single crystals. CuInP2S6 by itself is a layered ferrielectric with a ferrielectric transition temperature (T-c) just over room temperature, which rapidly decreases with homogeneous doping. Surprisingly, in our composite materials, the ferrielectric T-c of the polar CuInP2S6 phase increases. This effect is enabled by unique spinodal decomposition that retains the overall van der Waals layered morphology of the crystal, but chemically separates CuInP2S6 and In4/3P2S6 within each layer. The average spatial periodicity of the distinct chemical phases can be finely controlled by altering the composition and/or synthesis conditions. One intriguing prospect for such layered spinodal alloys is large volume synthesis of 2D in-plane heterostructures with periodically alternating polar and nonpolar phases. C1 [Susner, Michael A.; Borisevich, Albina; He, Qian; McGuire, Michael A.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Belianinov, Alex; Chyasnavichyus, Marius; Ganesh, Panchapakesan; Maksymovych, Petro] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Abernathy, Douglas L.] Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA. [Demir, Hakan; Sholl, David S.] Georgia Inst Technol, Sch Chem & Biomol Engn, Atlanta, GA 30332 USA. RP Susner, MA (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM susnerma@ornl.gov; maksymovychp@ornl.gov RI Ganesh, Panchapakesan/E-3435-2012; McGuire, Michael/B-5453-2009; Maksymovych, Petro/C-3922-2016; Abernathy, Douglas/A-3038-2012; Chyasnavichyus, Marius/D-8173-2016; Borisevich, Albina/B-1624-2009; Susner, Michael/B-1666-2013; He, Qian/J-1277-2014 OI Ganesh, Panchapakesan/0000-0002-7170-2902; McGuire, Michael/0000-0003-1762-9406; Maksymovych, Petro/0000-0003-0822-8459; Abernathy, Douglas/0000-0002-3533-003X; Chyasnavichyus, Marius/0000-0003-3640-7200; Borisevich, Albina/0000-0002-3953-8460; Susner, Michael/0000-0002-1211-8749; FU Laboratory Directed Research and Development Program of Oak Ridge National Laboratory; Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy FX Research was sponsored by the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the U.S. Department of Energy (P.M., P.G., MC., H.D, D.L.A., A.B., A.Y.B., Q.H, M.A.S, and M.A.M.). PFM measurements were carried out 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, U.S. Department of Energy. A portion of this article is based upon work performed using computational resources supported by the University of Tennessee and Oak Ridge National Laboratory's Joint Institute for Computational Sciences. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the University of Tennessee, Oak Ridge National Laboratory, or the Joint Institute for Computational Sciences. NR 45 TC 3 Z9 3 U1 14 U2 29 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 DEC PY 2015 VL 9 IS 12 BP 12365 EP 12373 DI 10.1021/acsnano.5b05682 PG 9 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA CZ7LE UT WOS:000367280100088 PM 26566107 ER PT J AU Ackerman, PJ Mundoor, H Smalyukh, II van de Lagemaat, J AF Ackerman, Paul J. Mundoor, Haridas Smalyukh, Ivan I. van de Lagemaat, Jao TI Plasmon-Exciton Interactions Probed Using Spatial Coentrapment of Nanoparticles by Topological Singularities SO ACS NANO LA English DT Article DE plasmonics; semiconductor nanocrystals; metal nanoparticles; topological singularities; blinking ID SINGLE QUANTUM DOTS; LIQUID-CRYSTALS; SEMICONDUCTOR NANOCRYSTALS; BLINKING SUPPRESSION; HETEROSTRUCTURES; PARTICLES; FILMS; PBS AB We study plasmon-exciton interaction by using topological singularities to spatially confine, selectively deliver, cotrap and optically probe colloidal semiconductor and plasmonic nanoparticles. The interaction is monitored in a single quantum system in the bulk of a liquid crystal medium where nanoparticles are manipulated and nanoconfined far from dielectric interfaces using laser tweezers and topological configurations containing singularities. When quantum dot-in-a-rod particles are spatially colocated with a plasmonic gold nanoburst particle in a topological singularity core, its fluorescence increases because blinking is significantly suppressed and the radiative decay rate increases by nearly an order of magnitude owing to the Purcell effect. We argue that the blinking suppression is the result of the radiative rate change that mitigates Auger recombination and quantum dot ionization, consequently reducing nonradiative recombination. Our work demonstrates that topological singularities are an effective platform for studying and controlling plasmon-exciton interactions. C1 [Ackerman, Paul J.; Mundoor, Haridas; Smalyukh, Ivan I.; van de Lagemaat, Jao] Univ Colorado, Dept Phys, Boulder, CO 80309 USA. [Ackerman, Paul J.; Smalyukh, Ivan I.] Univ Colorado, Dept Elect Comp & Energy Engn, Boulder, CO 80309 USA. [van de Lagemaat, Jao] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Smalyukh, Ivan I.] Univ Colorado, Liquid Crystal Mat Res Ctr, Boulder, CO 80309 USA. [Smalyukh, Ivan I.] Univ Colorado, Mat Sci & Engn Program, Boulder, CO 80309 USA. [Smalyukh, Ivan I.; van de Lagemaat, Jao] Natl Renewable Energy Lab, Renewable & Sustainable Energy Inst, Boulder, CO 80309 USA. [Smalyukh, Ivan I.; van de Lagemaat, Jao] Univ Colorado, Boulder, CO 80309 USA. RP Smalyukh, II (reprint author), Univ Colorado, Dept Phys, Boulder, CO 80309 USA. EM ivan.smalyukh@colorado.edu; jao.vandelagemaat@nrel.gov RI Smalyukh, Ivan/C-2955-2011; Mundoor, Haridas/L-9948-2016 OI Smalyukh, Ivan/0000-0003-3444-1966; Mundoor, Haridas/0000-0001-6589-6475 FU Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences of the US Department of Energy [DE-AC36-08GO28308]; National Renewable Energy Laboratory; NSF [DMR-1410735] FX We thank C. Schoen and Nanopartz Inc. for providing NBs as well as J. M. Luther for providing QRs used in studies presented in this work. We acknowledge technical assistance of T. Lee and B. Senyuk. I.I.S. is grateful for the hospitality of NREL during his sabbatical stay. We acknowledge support of the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences of the US Department of Energy under Contract No. DE-AC36-08GO28308 with the National Renewable Energy Laboratory (P.J.A., J.v.d.L and I.I.S. during his sabbatical leave) and also partial support of the NSF grant DMR-1410735 (H.M. and I.I.S.). NR 45 TC 2 Z9 2 U1 7 U2 20 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 DEC PY 2015 VL 9 IS 12 BP 12392 EP 12400 DI 10.1021/acsnano.5b05715 PG 9 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA CZ7LE UT WOS:000367280100091 PM 26567626 ER PT J AU Ievlev, AV Susner, MA McGuire, MA Maksymovych, P Kalinin, SV AF Ievlev, Anton V. Susner, Michael A. McGuire, Michael A. Maksymovych, Petro Kalinin, Sergei V. TI Quantitative Analysis of the Local Phase Transitions Induced by Laser Heating SO ACS NANO LA English DT Article DE ferroelectric; domain structure; scanning probe microscopy; piezoresponse forcr microscopy; Raman spectroscopy; phase transition ID SCANNING PROBE MICROSCOPY; FERROELECTRIC THIN-FILMS; ATOMIC-FORCE MICROSCOPY; THERMAL-CONDUCTIVITY; CUINP2S6; CHARGE; SPECTROSCOPY AB Functional imaging enabled by scanning probe microscopy (SPM) allows investigations of nanoscale material properties under a wide range of external conditions, including temperature. However, a number of shortcomings preclude the use of the most common material heating techniques, thereby limiting precise temperature measurements. Here we discuss an approach to local laser heating on the micron scale and its applicability for SPM. We applied local heating coupled with piezoresponse force microscopy and confocal Raman spectroscopy for nanoscale investigations of a ferroelectric-paraelectric phase transition in the copper indium thiophosphate layered ferroelectric. Bayesian linear unmixing applied to experimental results allowed extraction of the Raman spectra of different material phases and enabled temperature calibration in the heated region. The obtained results enable a systematic approach for studying temperature-dependent material functionalities in heretofore unavailable temperature regimes. C1 [Ievlev, Anton V.; Maksymovych, Petro; Kalinin, Sergei V.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Ievlev, Anton V.; Maksymovych, Petro; Kalinin, Sergei V.] Oak Ridge Natl Lab, Inst Funct Imaging Mat, Oak Ridge, TN 37831 USA. [Susner, Michael A.; McGuire, Michael A.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Ievlev, AV (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM ievlevav@ornl.gov RI McGuire, Michael/B-5453-2009; Maksymovych, Petro/C-3922-2016; Susner, Michael/B-1666-2013; Ievlev, Anton/H-3678-2012 OI McGuire, Michael/0000-0003-1762-9406; Maksymovych, Petro/0000-0003-0822-8459; Susner, Michael/0000-0002-1211-8749; Ievlev, Anton/0000-0003-3645-0508 FU Laboratory Directed Research and Development program at the Oak Ridge National Laboratory FX A portion of this research (AVI and SVK) was conducted at the Center for Nanophase Materials Sciences, which is a DOE Office of Science User Facility. Samples growth and preparation (PM, MAS and MAM) were sponsored by the Laboratory Directed Research and Development program at the Oak Ridge National Laboratory. NR 47 TC 3 Z9 3 U1 9 U2 31 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 DEC PY 2015 VL 9 IS 12 BP 12442 EP 12450 DI 10.1021/acsnano.5b05818 PG 9 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA CZ7LE UT WOS:000367280100097 PM 26536387 ER PT J AU Jia, Q Ramaswamy, N Hafiz, H Tylus, U Strickland, K Wu, G Barbiellini, B Bansil, A Holby, EF Zelenay, P Mukerjee, S AF Jia, Qingying Ramaswamy, Nagappan Hafiz, Hasnain Tylus, Urszula Strickland, Kara Wu, Gang Barbiellini, Bernardo Bansil, Arun Holby, Edward F. Zelenay, Piotr Mukerjee, Sanjeev TI Experimental Observation of Redox-Induced Fe-N Switching Behavior as a Determinant Role for Oxygen Reduction Activity SO ACS NANO LA English DT Article DE non-PGM catalysts; oxygen reduction reaction; active sites; redox transition; dynamic structure ID HIGH AREA CARBON; RAY-ABSORPTION SPECTROSCOPY; DENSITY-FUNCTIONAL THEORY; FULL MULTIPLE-SCATTERING; NEAR-EDGE STRUCTURE; PEM FUEL-CELL; FE/N/C-CATALYSTS; MOSSBAUER-SPECTROSCOPY; METAL ELECTROCATALYST; IRON PORPHYRINS AB The commercialization of electrochemical energy conversion and storage devices relies largely upon the development of highly active catalysts based on abundant and inexpensive materials. Despite recent achievements in this respect, further progress is hindered by the poor understanding of the nature of active sites and reaction mechanisms. Herein, by characterizing representative iron-based catalysts under reactive conditions, we identify three Fe-N-4-like catalytic centers with distinctly different Fe-N switching behaviors (Fe moving toward or away from the N-4-plane) during the oxygen reduction reaction (ORR), and show that their ORR activities are essentially governed by the dynamic structure associated with the Fe2+/3+ redox transition, rather than the static structure of the bare sites. Our findings reveal the structural origin of the enhanced catalytic activity of pyrolyzed Fe-based catalysts compared to nonpyrolyzed Fe-macrocycle compounds. More generally, the fundamental insights into the dynamic nature of transition-metal compounds during electron-transfer reactions will potentially guide rational design of these materials for broad applications. C1 [Jia, Qingying; Ramaswamy, Nagappan; Tylus, Urszula; Strickland, Kara; Mukerjee, Sanjeev] Northeastern Univ, Dept Chem & Chem Biol, Boston, MA 02115 USA. [Hafiz, Hasnain; Barbiellini, Bernardo; Bansil, Arun] Northeastern Univ, Dept Phys, Boston, MA 02115 USA. [Holby, Edward F.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. [Tylus, Urszula; Wu, Gang; Zelenay, Piotr] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM USA. RP Mukerjee, S (reprint author), Northeastern Univ, Dept Chem & Chem Biol, Boston, MA 02115 USA. EM s.mukerjee@neu.edu RI Wu, Gang/E-8536-2010; OI Wu, Gang/0000-0003-4956-5208; Holby, Edward/0000-0001-8419-6298 FU U.S. Department of Energy, EERE [DE-EE-0000459]; U.S. Department of Energy, Office of Basic Energy Sciences; Center for Synchrotron Biosciences [P30-EB-009998]; National Institute of Biomedical Imaging and Bioengineering (NBIB); U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences [DE-FG02-07ER46352]; DOE [DE-AC02-05CH11231]; DOE EFRC: Center for the Computational Design of Functional Layered Materials (CCDM) [DE-SC0012575] FX The authors deeply appreciate financial assistance from the U.S. Department of Energy, EERE (DE-EE-0000459). Use of the National Synchrotron Light Source (beamline X3B), Brookhaven National Laboratory (BNL), was supported by the U.S. Department of Energy, Office of Basic Energy Sciences. This publication was made possible by the Center for Synchrotron Biosciences grant, P30-EB-009998, from the National Institute of Biomedical Imaging and Bioengineering (NBIB). Support from beamline personnel Dr. Erik Farquhar and Mark Chance (X3B) are gratefully acknowledged. The computational work at Northeastern University was supported by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences Grant Number DE-FG02-07ER46352 (core research), and benefited from Northeastern University's Advanced Scientific Computation Center (ASCC), the NERSC supercomputing center through DOE grant number DE-AC02-05CH11231, and support (applications to layered materials) from the DOE EFRC: Center for the Computational Design of Functional Layered Materials (CCDM) under DE-SC0012575. NR 55 TC 38 Z9 39 U1 46 U2 159 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 DEC PY 2015 VL 9 IS 12 BP 12496 EP 12505 DI 10.1021/acsnano.5b05984 PG 10 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA CZ7LE UT WOS:000367280100103 PM 26566192 ER PT J AU Jeong, K Slack, CC Vassiliou, CC Dao, P Gomes, MD Kennedy, DJ Truxal, AE Sperling, LJ Francis, MB Wemmer, DE Pines, A AF Jeong, Keunhong Slack, Clancy C. Vassiliou, Christophoros C. Dao, Phuong Gomes, Muller D. Kennedy, Daniel J. Truxal, Ashley E. Sperling, Lindsay J. Francis, Matthew B. Wemmer, David E. Pines, Alexander TI Investigation of DOTA-Metal Chelation Effects on the Chemical Shift of Xe-129 SO CHEMPHYSCHEM LA English DT Article DE cryptophane; DOTA; metal-ion sensors; NMR spectroscopy; xenon ID HYPERPOLARIZED XENON; CRYPTOPHANE CAGES; NMR; IONS; BIOSENSOR; MRI; SENSOR; SPECTROSCOPY; COMPLEXES; CHEMISTRY AB Recent work has shown that xenon chemical shifts in cryptophane-cage sensors are affected when tethered chelators bind to metals. Here, we explore the xenon shifts in response to a wide range of metal ions binding to diastereomeric forms of 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid (DOTA) linked to cryptophane-A. The shifts induced by the binding of Ca2+, Cu2-, Ce3+, Zn2+, Cd2+, Ni2+, Co2+, Cr2+, Fe3-, and Hg2+ are distinct. In addition, the different responses of the diastereomers for the same metal ion indicate that shifts are affected by partial folding with a correlation between the expected coordination number of the metal in the DOTA complex and the chemical shift of Xe-129. These sensors may be used to detect and quantify many important metal ions, and a better understanding of the basis for the induced shifts could enhance future designs. C1 [Jeong, Keunhong; Slack, Clancy C.; Vassiliou, Christophoros C.; Dao, Phuong; Gomes, Muller D.; Kennedy, Daniel J.; Truxal, Ashley E.; Francis, Matthew B.; Wemmer, David E.; Pines, Alexander] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Jeong, Keunhong; Slack, Clancy C.; Vassiliou, Christophoros C.; Dao, Phuong; Gomes, Muller D.; Kennedy, Daniel J.; Truxal, Ashley E.; Francis, Matthew B.; Pines, Alexander] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Wemmer, David E.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Sperling, Lindsay J.] Santa Clara Univ, Dept Chem & Biochem, Santa Clara, CA 95053 USA. RP Pines, A (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM pines@berkeley.edu FU U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences, and Engineering Division [DE-AC02-05CH11231]; Republic of Korea Army; National Science Foundation FX This work was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences, and Engineering Division, under Contract No. DE-AC02-05CH11231. K.J. acknowledges a fellowship from the Republic of Korea Army. C.C.S. acknowledges a graduate fellowship through the National Science Foundation. NR 34 TC 1 Z9 1 U1 6 U2 17 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1439-4235 EI 1439-7641 J9 CHEMPHYSCHEM JI ChemPhysChem PD DEC 1 PY 2015 VL 16 IS 17 BP 3573 EP 3577 DI 10.1002/cphc.201500806 PG 5 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA CZ8BJ UT WOS:000367324700002 PM 26376768 ER PT J AU Shakourian-Fard, M Kamath, G Sankaranarayanan, SKRS AF Shakourian-Fard, Mehdi Kamath, Ganesh Sankaranarayanan, Subramanian K. R. S. TI Electronic Structure Insights into the Solvation of Magnesium Ions with Cyclic and Acyclic Carbonates SO CHEMPHYSCHEM LA English DT Article DE computational chemistry; electrochemistry; electrolytes; energy storage; solvation free energy ID LIQUID ELECTROLYTES; MOLECULAR-DYNAMICS; BATTERIES; CATIONS; ENERGIES; COMPLEX; LITHIUM; SODIUM; FORCE; LI+ AB A computational framework to rank the solvation behavior of Mg2+ in carbonates by using molecular dynamics simulations and density functional theory is reported. Based on the binding energies and enthalpies of solvation calculated at the M06-2X/6-311++ G(d,p) level of theory and the free energies of solvation from ABF-MD simulations, we find that ethylene carbonate (EC) and the ethylene carbonate: propylene carbonate (EC: PC) binary mixture are the best carbonate solvents for interacting with Mg2+. Natural bond orbital and quantum theory of atoms in molecules analyses support the thermochemistry calculations with the highest values of charge transfer, pertur-bative stabilization energies, electron densities, and Wiberg bond indices being observed in the Mg2+(EC) and Mg2+ (EC:PC) complexes. The plots of the noncovalent interactions indicate that those responsible for the formation of Mg2+ carbonate complexes are strong-to-weak attractive interactions, depending on the regions that are interacting. Finally, density of state calculations indicate that the interactions between Mg2+ and the carbonate solvents affects the HOMO and LUMO states of all carbonate solvents and moves them to more negative energy values. C1 [Shakourian-Fard, Mehdi; Kamath, Ganesh] Univ Missouri, Dept Chem, Columbia, MO 65211 USA. [Sankaranarayanan, Subramanian K. R. S.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Shakourian-Fard, M (reprint author), Univ Missouri, Dept Chem, Columbia, MO 65211 USA. EM m_shakori1361@yahoo.com; gkamath9173@gmail.com; skrssank@anl.gov FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX Use of the Center for Nanoscale Materials, an Office of Science user facility, was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. 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 38 TC 2 Z9 2 U1 6 U2 24 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1439-4235 EI 1439-7641 J9 CHEMPHYSCHEM JI ChemPhysChem PD DEC 1 PY 2015 VL 16 IS 17 BP 3607 EP 3617 DI 10.1002/cphc.201500590 PG 11 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA CZ8BJ UT WOS:000367324700009 PM 26395020 ER PT J AU Zhong, J Zhang, H Yan, J Gong, X AF Zhong, Jian Zhang, Huan Yan, Juan Gong, Xiao TI Effect of nanofiber orientation of electrospun nanofibrous scaffolds on cell growth and elastin expression of muscle cells SO COLLOIDS AND SURFACES B-BIOINTERFACES LA English DT Article DE Elastin; Electrospinning technique; Nanofiber orientation; Scaffolds; Smooth muscle cell ID BIOMIMETIC EXTRACELLULAR-MATRIX; STEM-CELLS; FIBERS; FABRICATION; MEMBRANES; DELIVERY; FUNCTIONALIZATION; NANOPARTICLES; PROLIFERATION; DISPERSIONS AB Tissue regeneration after smooth muscle tissue injury is a pivotal issue in tissue engineering. Good artificial scaffolds to continuously form long thin spindle-shaped smooth muscle cells in the damaged muscle tissues are important for tissue regeneration. In this work, poly(lactide-co-glycolide) (PLGA) and poly(epsilon-caprolactone) (PCL) were used to fabricate aligned or random electrospun nanofibrous scaffolds (ENSs) by using electrospinning technique. The cell growth and elastin expression of human vascular smooth muscle cells (HVSMCs) on these membranes were analyzed. Smooth PLGA/PCL film was used as control. The experimental results showed that the aligned ENS could maintain cell shapes of HVSMCs during the culture process. During the HVSMCs proliferation process, elastin expression firstly increase due to cell proliferation, and then decrease due to elastin degradation by elastase secreted by the cells. All these results suggest that aligned PLGA/PCL ENS can be a promising candidate for cell regeneration after smooth muscle tissue injury. (C) 2015 Elsevier B.V. All rights reserved. C1 [Zhong, Jian; Yan, Juan] Shanghai Ocean Univ, Coll Food Sci & Technol, Shanghai 201306, Peoples R China. [Zhang, Huan] Iowa State Univ, Ames Lab, Ames, IA 50010 USA. [Gong, Xiao] Univ Pittsburgh, Swanson Sch Engn, Dept Chem & Petr Engn, Pittsburgh, PA 15261 USA. RP Zhong, J (reprint author), Shanghai Ocean Univ, Coll Food Sci & Technol, Shanghai 201306, Peoples R China. EM jzhong@shou.edu.cn RI Zhong, Jian/B-3743-2015; Zhang, Huan/C-8636-2017 OI Zhong, Jian/0000-0002-2475-3221; Zhang, Huan/0000-0002-8702-8684 FU National High Technology Research and Development Program of China (863 Program) [2013AA032203]; National Natural Science Foundation of China [51203024]; Special Fund for Talents in Minhang District of Shanghai FX This research has been supported by research grants from the National High Technology Research and Development Program of China (863 Program 2013AA032203), the National Natural Science Foundation of China (51203024), and the Special Fund for Talents in Minhang District of Shanghai (2012). NR 59 TC 3 Z9 3 U1 7 U2 30 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-7765 EI 1873-4367 J9 COLLOID SURFACE B JI Colloid Surf. B-Biointerfaces PD DEC 1 PY 2015 VL 136 BP 772 EP 778 DI 10.1016/j.colsurfb.2015.10.017 PG 7 WC Biophysics; Chemistry, Physical; Materials Science, Biomaterials SC Biophysics; Chemistry; Materials Science GA CZ9HH UT WOS:000367408100094 PM 26520049 ER PT J AU Iyer, GC Edmonds, JA Fawcett, AA Hultman, NE Alsalam, J Asrar, GR Calvin, KV Clarke, LE Creason, J Jeong, M Kyle, P McFarland, J Mundra, A Patel, P Shi, WJ McJeon, HC AF Iyer, Gokul C. Edmonds, James A. Fawcett, Allen A. Hultman, Nathan E. Alsalam, Jameel Asrar, Ghassem R. Calvin, Katherine V. Clarke, Leon E. Creason, Jared Jeong, Minji Kyle, Page McFarland, James Mundra, Anupriya Patel, Pralit Shi, Wenjing McJeon, Haewon C. TI The contribution of Paris to limit global warming to 2 degrees C SO ENVIRONMENTAL RESEARCH LETTERS LA English DT Article DE conference of Parties; climate change; mitigation; policy; integrated assessment model; INDC; energy ID CLIMATE-CHANGE MITIGATION; INTEGRATED ASSESSMENT; CO2 CONCENTRATIONS; CARBON CAPTURE; LAND-USE; ENERGY; TECHNOLOGIES; SCENARIOS; TRANSPORTATION; STABILIZATION AB The international community has set a goal to limit global warming to 2 degrees C. Limiting global warming to 2 degrees C is a challenging goal and will entail a dramatic transformation of the global energy system, largely complete by 2040. As part of the work toward this goal, countries have been submitting their Intended Nationally Determined Contributions (INDCs) to the United Nations Framework Convention on Climate Change, indicating their emissions reduction commitments through 2025 or 2030, in advance of the 21st Conference of the Parties (COP21) in Paris in December 2015. In this paper, we use the Global Change Assessment Model (GCAM) to analyze the near versus long-term energy and economic-cost implications of these INDCs. The INDCs imply near-term actions that reduce the level of mitigation needed in the post-2030 period, particularly when compared with an alternative path in which nations are unable to undertake emissions mitigation until after 2030. We find that the latter case could require up to 2300 GW of premature retirements of fossil fuel power plants and up to 2900 GW of additional low-carbon power capacity installations within a five-year period of 2031-2035. INDCs have the effect of reducing premature retirements and new-capacity installations after 2030 by 50% and 34%, respectively. However, if presently announced INDCs were strengthened to achieve greater near-term emissions mitigation, the 2031-2035 transformation could be tempered to require 84% fewer premature retirements of power generation capacity and 56% fewer new-capacity additions. Our results suggest that the INDCs delivered for COP21 in Paris will have important contributions in reducing the challenges of achieving the goal of limiting global warming to 2 degrees C. C1 [Iyer, Gokul C.; Edmonds, James A.; Asrar, Ghassem R.; Calvin, Katherine V.; Clarke, Leon E.; Jeong, Minji; Kyle, Page; Mundra, Anupriya; Patel, Pralit; Shi, Wenjing; McJeon, Haewon C.] Pacific NW Natl Lab, Joint Global Change Res Inst, College Pk, MD 20740 USA. [Fawcett, Allen A.; Alsalam, Jameel; Creason, Jared; McFarland, James] US EPA, Washington, DC 20460 USA. [Hultman, Nathan E.] Univ Maryland, Sch Publ Policy, College Pk, MD 20742 USA. RP McJeon, HC (reprint author), Pacific NW Natl Lab, Joint Global Change Res Inst, 5825 Univ Res Court,Suite 3500, College Pk, MD 20740 USA. EM haewon.mcjeon@pnnl.gov FU U.S. Department of State [IAA 19318814Y0012]; U.S. Environmental Protection Agency [IAADW-8992406301]; William and Flora Hewlett Foundation FX Analysis of mitigation potential and levels of national mitigation action related to the conclusions of this paper was supported by the U.S. Department of State (IAA 19318814Y0012) and the U.S. Environmental Protection Agency (IAADW-8992406301). NEH was supported by the William and Flora Hewlett Foundation. The assessments of newly submitted INDCs are continuously updated at http://www.globalchange.umd.edu/. The views and opinions expressed in this paper are those of the authors alone and do not necessarily state or reflect those of the United States Government, the Department of State, or the Environmental Protection Agency, and no official endorsement should be inferred. NR 37 TC 6 Z9 6 U1 17 U2 66 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 DEC PY 2015 VL 10 IS 12 AR 125002 DI 10.1088/1748-9326/10/12/125002 PG 10 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA CZ7NO UT WOS:000367286300034 ER PT J AU Momany, M Di Pietro, A Alexander, WG Barker, BM Harb, OS Kamoun, S Martin, F Pires, JC Stajich, JE Thomma, BPHJ Unruh, S AF Momany, Michelle Di Pietro, Antonio Alexander, William G. Barker, Bridget M. Harb, Omar S. Kamoun, Sophien Martin, Francis Pires, J. Chris Stajich, Jason E. Thomma, Bart P. H. J. Unruh, Sarah TI Meeting Report: Fungal Genomics Meets Social Media: Highlights of the 28th Fungal Genetics Conference at Asilomar SO G3-GENES GENOMES GENETICS LA English DT Article C1 [Momany, Michelle] Univ Georgia, Dept Plant Biol, Athens, GA 30602 USA. [Di Pietro, Antonio] Univ Cordoba, Dept Genet, E-14071 Cordoba, Spain. [Alexander, William G.] Univ Wisconsin, Lab Genet, DoE Great Lakes Bioenergy Res Ctr, Madison, WI 53706 USA. [Barker, Bridget M.] TGen North, Flagstaff, AZ 86001 USA. [Harb, Omar S.] Univ Penn, Dept Biol, Eukaryot Pathogen Databases, Philadelphia, PA 19104 USA. [Kamoun, Sophien] Sainsbury Lab, Norwich NR4 7UH, Norfolk, England. [Martin, Francis] Univ Lorraine Interact Arbre Microorganismes, UMR INRA, Lab Excellence ARBRE, F-54280 Champenoux, France. [Pires, J. Chris; Unruh, Sarah] Univ Missouri, Div Biol Sci, Columbia, MO 65211 USA. [Stajich, Jason E.] Univ Calif Riverside, Dept Plant Pathol & Microbiol, Riverside, CA 92521 USA. [Thomma, Bart P. H. J.] Wageningen Univ, Lab Phytopathol, NL-6708 WG Wageningen, Netherlands. RP Momany, M (reprint author), Univ Georgia, Dept Plant Biol, 2502 Miller Plant Sci, Athens, GA 30602 USA. EM mmomany@uga.edu RI Di Pietro, Antonio/K-9220-2014; Momany, Michelle/L-2327-2016; Kamoun, Sophien/B-3529-2009; Stajich, Jason/C-7297-2008; OI Di Pietro, Antonio/0000-0001-5930-5763; Kamoun, Sophien/0000-0002-0290-0315; Stajich, Jason/0000-0002-7591-0020; Harb, Omar/0000-0003-4446-6200; Barker, Bridget/0000-0002-3439-4517; Momany, Michelle/0000-0001-7110-063X NR 0 TC 2 Z9 2 U1 0 U2 2 PU GENETICS SOCIETY AMERICA PI BETHESDA PA 9650 ROCKVILLE AVE, BETHESDA, MD 20814 USA SN 2160-1836 J9 G3-GENES GENOM GENET JI G3-Genes Genomes Genet. PD DEC PY 2015 VL 5 IS 12 BP 2523 EP 2525 DI 10.1534/g3.115.024158 PG 3 WC Genetics & Heredity SC Genetics & Heredity GA CZ7CM UT WOS:000367257500001 PM 27034999 ER PT J AU Durr, HB Krstic, M Scheinker, A Ebenbauer, C AF Duerr, Hans-Bernd Krstic, Miroslav Scheinker, Alexander Ebenbauer, Christian TI Singularly Perturbed Lie Bracket Approximation SO IEEE TRANSACTIONS ON AUTOMATIC CONTROL LA English DT Article DE Extremum seeking; Lie brackets; singular perturbations ID PRACTICAL STABILITY; SYSTEMS; SEEKING AB We consider the interconnection of two dynamical systems where one has an input-affine vector field. By employing a singular perturbation and a Lie bracket analysis technique, we show how the trajectories can be approximated by two decoupled systems. From this trajectory approximation result and the stability properties of the decoupled systems, we derive stability properties of the overall system. C1 [Duerr, Hans-Bernd; Ebenbauer, Christian] Univ Stuttgart, Inst Syst Theory & Automat Control, D-70550 Stuttgart, Germany. [Krstic, Miroslav] Univ Calif San Diego, Dept Mech & Aerosp Engn, La Jolla, CA 92093 USA. [Krstic, Miroslav] Univ Calif San Diego, Cymer Ctr Control Syst & Dynam, La Jolla, CA 92093 USA. [Scheinker, Alexander] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Durr, HB (reprint author), Univ Stuttgart, Inst Syst Theory & Automat Control, D-70550 Stuttgart, Germany. EM hans-bernd.duerr@ist.uni-stuttgart.de; krstic@ucsd.edu; ascheink@lanl.gov; ce@ist.uni-stuttgart.de FU Deutsche Forschungsgemeinschaft [EB 425/2-1, EXC 310/1] FX This work was supported by the Deutsche Forschungsgemeinschaft (Emmy-Noether-Grant, Novel Ways in Control and Computation, EB 425/2-1, and Cluster of Excellence in Simulation Technology, EXC 310/1). Recommended by Associate Editor L. Zaccarian. NR 15 TC 1 Z9 1 U1 2 U2 3 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9286 EI 1558-2523 J9 IEEE T AUTOMAT CONTR JI IEEE Trans. Autom. Control PD DEC PY 2015 VL 60 IS 12 BP 3287 EP 3292 DI 10.1109/TAC.2015.2416925 PG 6 WC Automation & Control Systems; Engineering, Electrical & Electronic SC Automation & Control Systems; Engineering GA CZ7MX UT WOS:000367284600015 ER PT J AU Krueger, D Porter, J Peterson, K AF Krueger, D. Porter, J. Peterson, K. TI Stress and Strain Modeling of Low-Temperature Cofired Ceramic (LTCC) Seal Frame and Lid SO JOURNAL OF CERAMIC SCIENCE AND TECHNOLOGY LA English DT Article DE LTCC; EMI; shielding; isolation; Kovar AB Low-temperature cofired ceramic (LTCC) is established as an excellent packaging technology for high-reliability, high-density microelectronics. LTCC multichip modules (MCMs) comprising both 'surface mount' and 'chip and wire' technologies provide additional customization for performance. Long-term robustness of the packages is impacted by the selection of the seal frame and lid materials used to enclose the components inside distinct rooms in LTCC MCMs. An LTCC seal frame and lid combination has been developed that is capable of meeting the sealing and electromagnetic shielding requirements of MCMs. This work analyzes the stress and strain performance of various seal frame and lid materials, sealing materials, and configurations. The application for the MCM will impact selection of the seal frame, lid, and sealing materials based on this analysis. C1 [Krueger, D.; Porter, J.] Honeywell Int Inc, Kansas City, MO 64133 USA. [Peterson, K.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Krueger, D (reprint author), Honeywell Int Inc, Kansas City, MO 64133 USA. EM dkrueger@kcp.com FU U.S. Department of Energy [DE-NA0000622]; United States Department of Energy's National Nuclear Security Administration [DE-AC04 - 94AL85000] FX Notice: This manuscript has been co-authored by Honeywell Federal Manufacturing & Technologies under Contract No.DE-NA0000622 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, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes.; Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company for the United States Department of Energy's National Nuclear Security Administration under contract DE-AC04 - 94AL85000. NR 10 TC 0 Z9 0 U1 2 U2 5 PU GOLLER VERLAG GMBH PI BADEN BADEN PA ASCHMATTSTRASSE 8, D-76532 BADEN BADEN, GERMANY SN 2190-9385 J9 J CERAM SCI TECHNOL JI J. Ceram. Sci. Technol. PD DEC PY 2015 VL 6 IS 4 BP 261 EP 266 DI 10.4416/JCST2015-00064 PG 6 WC Materials Science, Ceramics SC Materials Science GA CZ9MQ UT WOS:000367422100002 ER PT J AU Dai, S Hsieh, LH AF Dai, Steve Hsieh, Lung-Hwa TI Miniature Low-Pass Filters in Low-Loss 9k7 LTCC SO JOURNAL OF CERAMIC SCIENCE AND TECHNOLOGY LA English DT Article DE Low-temperature cofired ceramics (LTCC); multilayer; miniature low-pass filter ID RESONATORS AB DuPont 9k7 low-temperature cofired ceramic (LTCC) is a low-loss, or high-quality-factor Q, tape system targeting at radio frequency (RF) applications. This paper reports on the effect of a critical process parameter, the heating rate, on the densification and dielectric properties of the 9k7 LTCC. The role of competing densification and crystallization during the sintering of 9k7 is discussed. The high Q of DuPont 9K7 can be used to improve RF system performance, for example a better receiver noise figure, by designing embedded passive RF components such as inductors, capacitors and filters. Miniaturized multilayer low-pass filters (LPF) with a wide stopband were fabricated to showcase the technology. C1 [Dai, Steve; Hsieh, Lung-Hwa] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Dai, S (reprint author), Sandia Natl Labs, POB 5800,MS 0959, Albuquerque, NM 87185 USA. EM sxdai@sandia.gov FU Laboratory Directed Research and Development program at Sandia National Laboratories; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors thank Mr Adrian Wagner for filter fabrication. This work was supported by the Laboratory Directed Research and Development program at Sandia National Laboratories, 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 10 TC 0 Z9 0 U1 1 U2 3 PU GOLLER VERLAG GMBH PI BADEN BADEN PA ASCHMATTSTRASSE 8, D-76532 BADEN BADEN, GERMANY SN 2190-9385 J9 J CERAM SCI TECHNOL JI J. Ceram. Sci. Technol. PD DEC PY 2015 VL 6 IS 4 BP 325 EP 328 DI 10.4416/JCST2015-00033 PG 4 WC Materials Science, Ceramics SC Materials Science GA CZ9MQ UT WOS:000367422100011 ER PT J AU Patel, RC Kamili, S Teshale, E AF Patel, Rajiv C. Kamili, Saleem Teshale, Eyasu TI Hepatitis E virus infections in children age 0-15, Uganda outbreak, 2007 SO JOURNAL OF CLINICAL VIROLOGY LA English DT Article DE Hepatitis E infection; Children; Acute viral hepatitis; Uganda ID INDIA AB Background: The epidemiology of hepatitis E virus (HEV) infections among children is not well understood, with some studies reporting that hepatitis E infections do not affect children. Objectives: We analyzed seroepidemiologic data collected during a hepatitis E outbreak in Uganda to determine prevalence of past and recent HEV infections among children aged 0-15 years. Study design: Individuals were randomly selected from a household census to participate in a seroprevalence survey. We analyzed data on IgM and IgG antibody to HEV among children aged 0-15 years. We categorized the study population by age group [aged 0-5, 6-10, and 11-15 years], and further stratified the youngest children [aged 0-1, 2-3, and 4-5 years]. Presence of IgG anti-HEV alone indicated past HEV infection, whereas recent infection was defined as presence of IgM anti-HEV with or without IgG anti-HEV. Results: Among children aged 0-15 years (N = 244), prevalence of past HEV infection was 25.4% (62/244) and was highest among children aged 0-5 years [31.0% (27/87)]. Evidence of recent HEV infection was detected in 37.3% (91/244) of children aged 0-15 years. Among younger children, recent HEV infection increased with age from 4.3% (1/23) in children aged 0-1 year to 36.7% (11/30) in children aged 4-5 years. Conclusion: These data show that children are not spared from HEV infections. Illness during childhood in developing countries is common and HEV infections may be misdiagnosed as another acute illness, or under diagnosed. The lack of clinical care, HEV diagnostics, and surveillance in developing countries limit our full understanding of hepatitis E epidemiology. (C) 2015 Elsevier B.V. All rights reserved. C1 [Patel, Rajiv C.] Oak Ridge Inst Sci & Educ, Oak Ridge, TN 37831 USA. [Kamili, Saleem; Teshale, Eyasu] Ctr Dis Control & Prevent, Div Viral Hepatitis, Atlanta, GA USA. RP Patel, RC (reprint author), Oak Ridge Inst Sci & Educ, Oak Ridge, TN 37831 USA. EM rajiv.c.patel@gmail.com FU Oak Ridge Institute of Science and Education Fellowship; Centers for Disease Control and Prevention FX This work was support in part by the Oak Ridge Institute of Science and Education Fellowship and the Centers for Disease Control and Prevention. NR 10 TC 1 Z9 1 U1 1 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1386-6532 EI 1873-5967 J9 J CLIN VIROL JI J. Clin. Virol. PD DEC PY 2015 VL 73 BP 112 EP 114 DI 10.1016/j.jcv.2015.11.001 PG 3 WC Virology SC Virology GA CZ9AR UT WOS:000367390700023 PM 26590690 ER PT J AU Kelly, JR Yurista, P Starry, M Scharold, J Bartsch, W Cotter, A AF Kelly, John R. Yurista, Peder Starry, Matthew Scharold, Jill Bartsch, Will Cotter, Anne TI Exploration of spatial variability in nearshore water quality using the first Great Lakes National Coastal Condition Assessment survey SO JOURNAL OF GREAT LAKES RESEARCH LA English DT Article DE Nearshore; Embayments; Assessment; Phosphorus; Watersheds; Great Lakes ID ENVIRONMENTAL INDICATORS; OFFSHORE WATERS; UNITED-STATES; ERIE; PHOSPHORUS; WETLANDS; CLASSIFICATION; RESOURCES; ECOSYSTEMS; MANAGEMENT AB A comprehensive approach to assess conditions in the Great Lakes nearshore has been lacking for decades. We conducted a pilot survey in Lake Erie (45 sites) in summer 2009. The US National Coastal Condition Assessment (NCCA) was then conducted across the Great Lakes in summer 2010. The NCCA survey design provided statistically based estimates with defined uncertainty bounds for a variety of ecological indicators. For example, water quality (WQ) was measured (233 sampled sites) in the US nearshore, a resource defined with criteria to include waters to 30 m depth and less than 5 km from shore. A sub-resource of the US nearshore (151 separate sample sites) was defined using geometric criteria along the shoreline to identify small to medium embayment areas. Statistical analyses showed that embayments had higher Total Phosphorus and were more turbid than the open nearshore. We explored spatial variability in WQ results (2009, 2010) through regression analyses at multiple scales (within and across lakes) for nearshore and embayment resources. Empirical modeling identified principal drivers of spatial variability as risk factors for enrichment: water column depth and a landscape disturbance metric representing agricultural intensity as an indicator of watershed nutrient loading. Eutrophic nearshore conditions occurred at the upper end of an associated landscape disturbance gradient across watersheds of the US basin, peaking in Lake Erie. Overall results were consistent with the principles of classical limnology theory and demonstrated that a statistical survey approach can contribute to Great Lakes nearshore assessment and research. Published by Elsevier B.V. on behalf of International Association for Great Lakes Research. C1 [Kelly, John R.; Yurista, Peder; Scharold, Jill; Cotter, Anne] US EPA, Mid Continent Ecol Div, Duluth, MN 55804 USA. [Starry, Matthew] SRA Int, Fairfax, VA 22033 USA. [Bartsch, Will] Oak Ridge Inst Sci & Educ, Duluth, MN 55804 USA. RP Kelly, JR (reprint author), 904 Valley Dr, Duluth, MN 55804 USA. EM jackrussellkelly@gmail.com FU EPA's Office of Water; Great Lakes Restoration Initiative (GLRI) funds FX The US EPA Office of Water, staff from EPA Regions 2, 3, and 5 and the Great Lakes National Program Office (GLNPO), and from the 8 Great Lakes US States conducted the US National Coastal Condition Assessment (NCCA) in summer 2010 as part of a set of National Aquatic Resource Surveys. Funding to conduct the NCCA came from EPA's Office of Water who assists States in the conduct of National Aquatic Resource Surveys, and from enhancements supported by Great Lakes Restoration Initiative (GLRI) funds, thanks to the vision and determination of Gary Gulezian and Paul Horvatin. The development of this Great lakes coastal frame and survey design/analysis has been aided by a strong commitment to include the Great Lakes in the national assessment over almost a decade, of individuals in the EPA's Office of Research and Development (Tony Olsen and Tom Kinkaid, Western Ecology Division; John Macauley, Gulf Ecology Division; John Kiddon, Atlantic Ecology Division) and Office of Water (Barry Burgan and Greg Colianni). Others in EPA's Office of Water have been instrumental in supporting the Great Lakes development, including Sarah Lehmann, Treda Greyson-Smith, and at Region 5/GLNPO (Paul Horvatin, Mari Nord, Paul Bertram, Elizabeth Hinchey-Malloy). The survey design was done by Tony Olsen and Tom Kincaid, who each assisted with some statistical analyses. Numerous colleagues from the Mid-Continent Ecology Division assisted with fieldwork in 2009, including Jon Van Alstine, Tim Corry, Greg Peterson, Joel Hoffman, Mike Knuth, Sam Miller, David Miller, John Morrice, and summer students Andrew Just, Aisha Beaty, and Emily Bradshaw. We acknowledge especially Glenn Warren and Paul Horvatin (GLNPO) for providing time on the R/V Lake Guardian. Tom Hollenhorst of MED assisted with organizing the GLEI landscape stressor data sets. This manuscript was approved for submission by the US EPA. Thanks to David Bolgrien and JGLR anonymous reviewers for comments that helped clarify presentation. The views expressed in this article are those of the author and do not necessarily reflect the views or policies of the US Environment Protection Agency. Mention of trade names or commercial products does not constitute endorsement or recommendation for use. NR 90 TC 0 Z9 0 U1 3 U2 12 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0380-1330 J9 J GREAT LAKES RES JI J. Gt. Lakes Res. PD DEC PY 2015 VL 41 IS 4 BP 1060 EP 1074 DI 10.1016/j.jglr.2015.09.007 PG 15 WC Environmental Sciences; Limnology; Marine & Freshwater Biology SC Environmental Sciences & Ecology; Marine & Freshwater Biology GA CZ8OU UT WOS:000367359800011 ER PT J AU Ameziane, N May, P Haitjema, A van de Vrugt, HJ van Rossum-Fikkert, SE Ristic, D Williams, GJ Balk, J Rockx, D Li, H Rooimans, MA Oostra, AB Velleuer, E Dietrich, R Bleijerveld, OB Altelaar, AFM Meijers-Heijboer, H Joenje, H Glusman, G Roach, J Hood, L Galas, D Wyman, C Balling, R den Dunnen, J de Winter, JP Kanaar, R Gelinas, R Dorsman, JC AF Ameziane, Najim May, Patrick Haitjema, Anneke van de Vrugt, Henri J. van Rossum-Fikkert, Sari E. Ristic, Dejan Williams, Gareth J. Balk, Jesper Rockx, Davy Li, Hong Rooimans, Martin A. Oostra, Anneke B. Velleuer, Eunike Dietrich, Ralf Bleijerveld, Onno B. Altelaar, A. F. Maarten Meijers-Heijboer, Hanne Joenje, Hans Glusman, Gustavo Roach, Jared Hood, Leroy Galas, David Wyman, Claire Balling, Rudi den Dunnen, Johan de Winter, Johan P. Kanaar, Roland Gelinas, Richard Dorsman, Josephine C. TI A novel Fanconi anaemia subtype associated with a dominant-negative mutation in RAD51 SO NATURE COMMUNICATIONS LA English DT Article ID HOMOLOGOUS RECOMBINATION; CRYSTAL-STRUCTURE; GENETIC-VARIANTS; ATPASE ACTIVITY; DNA-BINDING; PROTEIN; FILAMENT; INHIBITOR; DISEASE; REPAIR AB Fanconi anaemia (FA) is a hereditary disease featuring hypersensitivity to DNA cross-linker-induced chromosomal instability in association with developmental abnormalities, bone marrow failure and a strong predisposition to cancer. A total of 17 FA disease genes have been reported, all of which act in a recessive mode of inheritance. Here we report on a de novo g.41022153G>A; p.Ala293Thr (NM_002875) missense mutation in one allele of the homologous recombination DNA repair gene RAD51 in an FA-like patient. This heterozygous mutation causes a novel FA subtype, 'FA-R', which appears to be the first subtype of FA caused by a dominant-negative mutation. The patient, who features microcephaly and mental retardation, has reached adulthood without the typical bone marrow failure and paediatric cancers. Together with the recent reports on RAD51-associated congenital mirror movement disorders, our results point to an important role for RAD51-mediated homologous recombination in neurodevelopment, in addition to DNA repair and cancer susceptibility. C1 [Ameziane, Najim; Haitjema, Anneke; van de Vrugt, Henri J.; Balk, Jesper; Rockx, Davy; Rooimans, Martin A.; Oostra, Anneke B.; Meijers-Heijboer, Hanne; Joenje, Hans; de Winter, Johan P.; Dorsman, Josephine C.] Vrije Univ Amsterdam, Med Ctr, Dept Clin Genet, NL-1081 BT Amsterdam, Netherlands. [May, Patrick; Galas, David; Balling, Rudi] Luxembourg Ctr Syst Biomed, L-4362 Esch Sur Alzette, Luxembourg. [May, Patrick; Li, Hong; Glusman, Gustavo; Roach, Jared; Hood, Leroy; Gelinas, Richard] Inst Syst Biol, Seattle, WA 98109 USA. [van de Vrugt, Henri J.] Netherlands Canc Inst, Div Biol Stress Response, NL-1066 CX Amsterdam, Netherlands. [van Rossum-Fikkert, Sari E.; Ristic, Dejan; Wyman, Claire; Kanaar, Roland] Canc Genom Ctr, Dept Genet, NL-3000 CA Rotterdam, Netherlands. [van Rossum-Fikkert, Sari E.; Ristic, Dejan; Wyman, Claire; Kanaar, Roland] Erasmus MC, Dept Radiat Oncol, NL-3000 CA Rotterdam, Netherlands. [Williams, Gareth J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Velleuer, Eunike] Univ Dusseldorf, Fac Med, Ctr Child & Adolescent Hlth, Dept Paediat Oncol Hematol & Clin Immunol, D-40225 Dusseldorf, Germany. [Dietrich, Ralf] Deutsch Fanconi Anam Hilfe eV, D-59427 Unna, Germany. [Bleijerveld, Onno B.; Altelaar, A. F. Maarten] Netherlands Canc Inst, Mass Spectrometry & Prote Facil, NL-1066 CX Amsterdam, Netherlands. [Galas, David] Pacific Northwest Diabet Res Inst, Seattle, WA 98122 USA. [den Dunnen, Johan] Leiden Univ, Med Ctr, Dept Human & Clin Genet, NL-2333 ZA Leiden, Netherlands. RP Gelinas, R (reprint author), Inst Syst Biol, 401 Terry Ave North, Seattle, WA 98109 USA. EM Richard.Gelinas@systemsbiology.org; jc.dorsman@vumc.nl RI Altelaar, Maarten/I-3845-2016; OI Altelaar, Maarten/0000-0001-5093-5945; Glusman, Gustavo/0000-0001-8060-5955; May, Patrick/0000-0001-8698-3770 FU Dutch Cancer Society; University of Luxembourg-Institute for Systems Biology Strategic Partnership; Luxembourg Centre for Systems Biomedicine; 'le plan Technologies de la Sante par le Gouvernment du Grand-Duche de Luxembourg' through the Luxembourg Centre for Systems Biomedicine, University of Luxembourg; Technology Foundation STW project [11425]; Netherlands Organisation for Scientific Research (NWO) as part of the National Roadmap Large-scale Research Facilities of the Netherlands [184.032.201] FX We are grateful to the proband and his family for contributing to this study. Financial support was provided by the Dutch Cancer Society (J.C.D., J.d.D. and J.P.d.W.) and by the University of Luxembourg-Institute for Systems Biology Strategic Partnership and the Luxembourg Centre for Systems Biomedicine (R.G., J.R. and G.G.), by 'le plan Technologies de la Sante par le Gouvernment du Grand-Duche de Luxembourg' through the Luxembourg Centre for Systems Biomedicine, University of Luxembourg (P.M.) and the Technology Foundation STW project 11425 (S.E.v.R.-F., D.R. and C.W.). Computational results presented in this paper were carried out using the HPC facilities of the University of Luxembourg (http://hpc.uni.lu). The proteomics work is part of the project Proteins At Work, financed by the Netherlands Organisation for Scientific Research (NWO) as part of the National Roadmap Large-scale Research Facilities of the Netherlands (project number 184.032.201). NR 53 TC 10 Z9 10 U1 3 U2 12 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 DEC PY 2015 VL 6 AR 8829 DI 10.1038/ncomms9829 PG 11 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DA1WE UT WOS:000367585500001 PM 26681308 ER PT J AU Biastoch, A Durgadoo, JV Morrison, AK van Sebille, E Weijer, W Griffies, SM AF Biastoch, Arne Durgadoo, Jonathan V. Morrison, Adele K. van Sebille, Erik Weijer, Wilbert Griffies, Stephen M. TI Atlantic multi-decadal oscillation covaries with Agulhas leakage SO NATURE COMMUNICATIONS LA English DT Article ID SOUTHERN ANNULAR MODE; OVERTURNING CIRCULATION; HEMISPHERE WESTERLIES; SURFACE-TEMPERATURE; NORTH-ATLANTIC; OCEAN; CLIMATE; SYSTEM; IMPACT; VARIABILITY AB The interoceanic transfer of seawater between the Indian Ocean and the Atlantic, 'Agulhas leakage', forms a choke point for the overturning circulation in the global ocean. Here, by combining output from a series of high-resolution ocean and climate models with in situ and satellite observations, we construct a time series of Agulhas leakage for the period 1870-2014. The time series demonstrates the impact of Southern Hemisphere westerlies on decadal timescales. Agulhas leakage shows a correlation with the Atlantic Multi-decadal Oscillation on multi-decadal timescales; the former leading by 15 years. This is relevant for climate in the North Atlantic. C1 [Biastoch, Arne; Durgadoo, Jonathan V.] GEOMAR Helmholtz Ctr Ocean Res Kiel, D-24105 Kiel, Germany. [Morrison, Adele K.] Princeton Univ, Atmospher & Ocean Sci Program, Princeton, NJ 08544 USA. [van Sebille, Erik] Univ New S Wales, Climate Change Res Ctr, Sydney, NSW 2010, Australia. [van Sebille, Erik] Univ New S Wales, ARC Ctr Excellence Climate Syst Sci, Sydney, NSW 2010, Australia. [van Sebille, Erik] Univ London Imperial Coll Sci Technol & Med, Grantham Inst, London SW7 2AZ, England. [van Sebille, Erik] Univ London Imperial Coll Sci Technol & Med, Dept Phys, London SW7 2AZ, England. [Weijer, Wilbert] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Griffies, Stephen M.] NOAA, Geophys Fluid Dynam Lab, Princeton, NJ 08542 USA. RP Biastoch, A (reprint author), GEOMAR Helmholtz Ctr Ocean Res Kiel, Dusternbrooker Weg 20, D-24105 Kiel, Germany. EM abiastoch@geomar.de RI Biastoch, Arne/B-5219-2014; van Sebille, Erik/F-6781-2010; OI Biastoch, Arne/0000-0003-3946-4390; van Sebille, Erik/0000-0003-2041-0704; Durgadoo, Jonathan/0000-0001-6297-5178 FU German Federal Ministry for Education and Research (BMBF) framework project SPACES [03G0835A]; Australian Research Council [DE130101336]; US Department of Energy [DE-SC0012457]; DOE Office of Science's RGCM program FX The model data required for this analysis and in-depth information on the simulations will be provided on request. This work received funding from German Federal Ministry for Education and Research (BMBF) framework project SPACES (03G0835A). E.v.S. was supported by the Australian Research Council via grant DE130101336. A.K.M. was supported by the US Department of Energy under Contract DE-SC0012457. W.W. was supported by DOE Office of Science's RGCM program. We acknowledge the availability of HadISST, OISST, ERSST and AVISO data. We thank Mike Winton for providing useful comments. NR 46 TC 3 Z9 3 U1 4 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 DEC PY 2015 VL 6 AR 10082 DI 10.1038/ncomms10082 PG 7 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DA1QC UT WOS:000367569400002 PM 26656850 ER PT J AU Ye, XC Zhu, CH Ercius, P Raja, SN He, B Jones, MR Hauwiller, MR Liu, Y Xu, T Alivisatos, AP AF Ye, Xingchen Zhu, Chenhui Ercius, Peter Raja, Shilpa N. He, Bo Jones, Matthew R. Hauwiller, Matthew R. Liu, Yi Xu, Ting Alivisatos, A. Paul TI Structural diversity in binary superlattices self-assembled from polymer-grafted nanocrystals SO NATURE COMMUNICATIONS LA English DT Article ID STAR-BRANCHED MACROMOLECULES; NANOPARTICLE ASSEMBLIES; GOLD NANOPARTICLES; PARTICLES; BRUSHES; NANOCOMPOSITES; TRANSITIONS; ORGANIZATION; POLYSTYRENE; INTERFACE AB Multicomponent nanocrystal superlattices represent an interesting class of material that derives emergent properties from mesoscale structure, yet their programmability can be limited by the alkyl-chain-based ligands decorating the surfaces of the constituent nanocrystals. Polymeric ligands offer distinct advantages, as they allow for more precise tuning of the effective size and 'interaction softness' through changes to the polymer's molecular weight, chemical nature, architecture, persistence length and surrounding solvent. Here we show the formation of 10 different binary nanocrystal superlattices (BNSLs) with both two- and three-dimensional order through independent adjustment of the core size of spherical nanocrystals and the molecular weight of densely grafted polystyrene ligands. These polymer-brush-based ligands introduce new energetic contributions to the interparticle potential that stabilizes various BNSL phases across a range of length scales and interparticle spacings. Our study opens the door for nanocrystals to become modular elements in the design of functional particle brush solids with controlled nanoscale interfaces and mesostructures. C1 [Ye, Xingchen; Jones, Matthew R.; Hauwiller, Matthew R.; Alivisatos, A. Paul] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Zhu, Chenhui] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Ercius, Peter] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Natl Ctr Elect Microscopy, Berkeley, CA 94720 USA. [Raja, Shilpa N.; Xu, Ting] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Raja, Shilpa N.; Xu, Ting; Alivisatos, A. Paul] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [He, Bo; Liu, Yi] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. [Alivisatos, A. Paul] Kavli Energy NanoSci Inst, Berkeley, CA 94720 USA. RP Xu, T (reprint author), Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. EM tingxu@berkeley.edu; apalivisatos@lbl.gov RI Liu, yi/A-3384-2008; Alivisatos , Paul /N-8863-2015; Ye, Xingchen/D-3202-2017; OI Liu, yi/0000-0002-3954-6102; Alivisatos , Paul /0000-0001-6895-9048; Ye, Xingchen/0000-0001-6851-2721; Jones, Matthew/0000-0002-9289-291X; Hauwiller, Matthew/0000-0002-5448-6937 FU Department of Energy, Office of Basic Energy Sciences through the 'Self-Assembly of Organic/Inorganic Nanocomposite Materials' program at Lawrence Berkeley National Laboratory (LBNL) [DE-AC02-05CH11231]; Office of Science, Office of Basic Energy Sciences, U.S. Department of Energy [DE-AC02-05CH11231]; Arnold and Mabel Beckman Foundation FX We thank Dr Chengyu Song at the National Center of Electron Microscopy at the Molecular Foundry for help with electron microscopy. X.Y. thanks Dr Son C. Nguyen and Dr Jeffrey J. Urban for discussions. This work was supported by the Department of Energy, Office of Basic Energy Sciences under Contract No. DE-AC02-05CH11231 through the 'Self-Assembly of Organic/Inorganic Nanocomposite Materials' program at Lawrence Berkeley National Laboratory (LBNL). This work made use of facilities at the Molecular Foundry and beamline 7.3.3 of the Advanced Light Source at LBNL, supported by the Office of Science, Office of Basic Energy Sciences, U.S. Department of Energy, under Contract No. DE-AC02-05CH11231. M.R.J. acknowledges the Arnold and Mabel Beckman Foundation for a postdoctoral fellowship. NR 69 TC 13 Z9 13 U1 23 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 DEC PY 2015 VL 6 AR 10052 DI 10.1038/ncomms10052 PG 10 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DA1PR UT WOS:000367568200005 PM 26628256 ER PT J AU Zhang, ZJ Mao, MM Wang, JW Gludovatz, B Zhang, Z Mao, SX George, EP Yu, Q Ritchie, RO AF Zhang, ZiJiao Mao, M. M. Wang, Jiangwei Gludovatz, Bernd Zhang, Ze Mao, Scott X. George, Easo P. Yu, Qian Ritchie, Robert O. TI Nanoscale origins of the damage tolerance of the high-entropy alloy CrMnFeCoNi SO NATURE COMMUNICATIONS LA English DT Article ID AUSTENITIC STAINLESS-STEELS; MECHANICAL-PROPERTIES; CRYOGENIC FRACTURE; TRIP/TWIP STEELS; DEFORMATION; TOUGHNESS; STRENGTH; MICROSTRUCTURE; STABILITY AB Damage tolerance can be an elusive characteristic of structural materials requiring both high strength and ductility, properties that are often mutually exclusive. High-entropy alloys are of interest in this regard. Specifically, the single-phase CrMnFeCoNi alloy displays tensile strength levels of similar to 1GPa, excellent ductility (similar to 60-70%) and exceptional fracture toughness (K-JIc>200 MPa root m). Here through the use of in situ straining in an aberration-corrected transmission electron microscope, we report on the salient atomistic to micro-scale mechanisms underlying the origin of these properties. We identify a synergy of multiple deformation mechanisms, rarely achieved in metallic alloys, which generates high strength, work hardening and ductility, including the easy motion of Shockley partials, their interactions to form stacking-fault parallelepipeds, and arrest at planar slip bands of undissociated dislocations. We further show that crack propagation is impeded by twinned, nanoscale bridges that form between the near-tip crack faces and delay fracture by shielding the crack tip. C1 [Zhang, ZiJiao; Mao, M. M.; Zhang, Ze; Mao, Scott X.; Yu, Qian] Zhejiang Univ, Ctr Electron Microscopy, Dept Mat Sci & Engn, Hangzhou 310027, Zhejiang, Peoples R China. [Zhang, ZiJiao; Mao, M. M.; Zhang, Ze; Mao, Scott X.; Yu, Qian] Zhejiang Univ, State Key Lab Silicon Mat, Hangzhou 310027, Zhejiang, Peoples R China. [Wang, Jiangwei; Mao, Scott X.] Univ Pittsburgh, Dept Mech Engn & Mat Sci, Pittsburgh, PA 15261 USA. [Gludovatz, Bernd; Ritchie, Robert O.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [George, Easo P.] Ruhr Univ Bochum, Inst Mat, D-44801 Bochum, Germany. [Ritchie, Robert O.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. RP Yu, Q (reprint author), Zhejiang Univ, Ctr Electron Microscopy, Dept Mat Sci & Engn, Hangzhou 310027, Zhejiang, Peoples R China. EM qyuzju@gmail.com; roritchie@lbl.gov RI Ritchie, Robert/A-8066-2008; Wang, Jiangwei/F-8249-2011; OI Ritchie, Robert/0000-0002-0501-6998; Wang, Jiangwei/0000-0003-1191-0782; Gludovatz, Bernd/0000-0002-2420-3879 FU Chinese 1000-Youth-Talent Plan; State Key Program for Basic Research of China [2015CB659300]; US by US Department of Energy, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, through the Materials Science and Technology Division at Oak Ridge National Laboratory; Mechanical Behaviour of Materials program (KC13) at the Lawrence Berkeley National Laboratory FX This work was supported in China by grants from the Chinese 1000-Youth-Talent Plan and the State Key Program for Basic Research of China (No. 2015CB659300) (for Z.J.Z., M.M.M., J.W., Z.Z., S.X.M. and Q.Y.) and in the US by US Department of Energy, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, through the Materials Science and Technology Division at Oak Ridge National Laboratory (for E.P.G.) and the Mechanical Behaviour of Materials program (KC13) at the Lawrence Berkeley National Laboratory (for B.G. and R.O.R.). NR 29 TC 20 Z9 20 U1 50 U2 160 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 DEC PY 2015 VL 6 AR 10143 DI 10.1038/ncomms10143 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DA1QU UT WOS:000367571300002 PM 26647978 ER PT J AU Albertazzi, B Chen, SN Antici, P Boker, J Borghesi, M Breil, J Dervieux, V Feugeas, JL Lancia, L Nakatsutsumi, M Nicolai, P Romagnagni, L Shepherd, R Sentoku, Y Starodubtsev, M Swantusch, M Tikhonchuk, VT Willi, O d'Humieres, E Pepin, H Fuchs, J AF Albertazzi, B. Chen, S. N. Antici, P. Boeker, J. Borghesi, M. Breil, J. Dervieux, V. Feugeas, J. L. Lancia, L. Nakatsutsumi, M. Nicolai, Ph. Romagnagni, L. Shepherd, R. Sentoku, Y. Starodubtsev, M. Swantusch, M. Tikhonchuk, V. T. Willi, O. d'Humieres, E. Pepin, H. Fuchs, J. TI Dynamics and structure of self-generated magnetics fields on solids following high contrast, high intensity laser irradiation SO PHYSICS OF PLASMAS LA English DT Article ID SHORT-PULSE LASER; ION-ACCELERATION; PLASMAS; SIMULATIONS; INSTABILITY; TARGETS AB The dynamics of self-generated magnetic B-fields produced following the interaction of a high contrast, high intensity (I > 10(19) W cm(-2)) laser beam with thin (3 mu m thick) solid (Al or Au) targets is investigated experimentally and numerically. Two main sources drive the growth of B-fields on the target surfaces. B-fields are first driven by laser-generated hot electron currents that relax over similar to 10-20 ps. Over longer timescales, the hydrodynamic expansion of the bulk of the target into vacuum also generates B-field induced by non-collinear gradients of density and temperature. The laser irradiation of the target front side strongly localizes the energy deposition at the target front, in contrast to the target rear side, which is heated by fast electrons over a much larger area. This induces an asymmetry in the hydrodynamic expansion between the front and rear target surfaces, and consequently the associated B-fields are found strongly asymmetric. The sole long-lasting (>30 ps) B-fields are the ones growing on the target front surface, where they remain of extremely high strength (similar to 8-10 MG). These B-fields have been recently put by us in practical use for focusing laser-accelerated protons [B. Albertazzi et al., Rev. Sci. Instrum. 86, 043502 (2015)]; here we analyze in detail their dynamics and structure. (C) 2015 AIP Publishing LLC. C1 [Albertazzi, B.; Chen, S. N.; Dervieux, V.; Nakatsutsumi, M.; Romagnagni, L.; Fuchs, J.] UPMC, CEA, CNRS, Ecole Polytech,LULI, F-91128 Palaiseau, France. [Albertazzi, B.; Antici, P.; Pepin, H.] INRS EMT, Varennes, PQ J3X 1S2, Canada. [Albertazzi, B.] Osaka Univ, Grad Sch Engn, Suita, Osaka 565087, Japan. [Chen, S. N.; Starodubtsev, M.; Fuchs, J.] Inst Appl Phys, Nizhnii Novgorod 603950, Russia. [Antici, P.; Lancia, L.] Univ Roma La Sapienza, Dept SBAI, I-00161 Rome, Italy. [Boeker, J.; Swantusch, M.; Willi, O.] Univ Dusseldorf, Inst Laser & Plasmaphys, Dusseldorf, Germany. [Borghesi, M.] Queens Univ, Sch Math & Phys, Belfast, Antrim, North Ireland. [Breil, J.; Feugeas, J. L.; Nicolai, Ph.; Tikhonchuk, V. T.; d'Humieres, E.] Univ Bordeaux, CNRS, CEA, CELIA, F-33405 Talence, France. [Shepherd, R.] LLNL, Livermore, CA 94550 USA. [Sentoku, Y.] Univ Nevada, Dept Phys, Reno, NV 89557 USA. RP Albertazzi, B (reprint author), UPMC, CEA, CNRS, Ecole Polytech,LULI, F-91128 Palaiseau, France. EM julien.fuchs@polytechnique.fr RI Sentoku, Yasuhiko/P-5419-2014 FU U.S. Department of Energy, Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Laserlab-Europe [284464, 001528]; Agence Nationale de la Recherche [11-IDEX-0004-02]; DFG GRK [1203]; NSERC [435416, SFB/TR18]; EPSRC [EP/K022415/1, EP/J002550/1]; Ministry of Education and Science of the Russian Federation [14.Z50.31.0007] FX We acknowledge the support of the staff at the Jupiter Laser Facility at Lawrence Livermore National Laboratory. The use of the Jupiter Laser Facility was supported by the U.S. Department of Energy, Lawrence Livermore National Laboratory, under Contract No. DE-AC52-07NA27344. The research leading to these results has received funding from Laserlab-Europe (Grant Agreement No. 284464, EC's seventh framework program) and Grant No. 001528. This work was partly done within the LABEX Plas@Par project and supported by Grant No. 11-IDEX-0004-02 from Agence Nationale de la Recherche. This work was also partly supported by the DFG GRK 1203, by NSERC Grant No. 435416 - Computecanada and SFB/TR18 programs and by EPSRC Grant Nos. EP/K022415/1 and EP/J002550/1. This work was supported in part by the Ministry of Education and Science of the Russian Federation under Contract No. 14.Z50.31.0007. NR 54 TC 1 Z9 1 U1 8 U2 28 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 DEC PY 2015 VL 22 IS 12 AR 123108 DI 10.1063/1.4936095 PG 11 WC Physics, Fluids & Plasmas SC Physics GA DA0AZ UT WOS:000367460400062 ER PT J AU Asenjo, FA Comisso, L Mahajan, SM AF Asenjo, Felipe A. Comisso, Luca Mahajan, Swadesh M. TI Generalized magnetofluid connections in pair plasmas SO PHYSICS OF PLASMAS LA English DT Article AB We extend the magnetic connection theorem of ideal magnetohydrodynamics to nonideal relativistic pair plasmas. Adopting a generalized Ohm's law, we prove the existence of generalized magnetofluid connections that are preserved by the plasma dynamics. We show that these connections are related to a general antisymmetric tensor that unifies the electromagnetic and fluid fields. The generalized magnetofluid connections set important constraints on the plasma dynamics by forbidding transitions between configurations with different magnetofluid connectivity. An approximated solution is explicitly shown where the corrections due to current inertial effects are found. (C) 2015 AIP Publishing LLC. C1 [Asenjo, Felipe A.] Univ Adolfo Ibanez, Fac Ingn & Ciencias, Santiago 7941169, Chile. [Comisso, Luca] Princeton Univ, Dept Astrophys Sci, Princeton, NJ 08544 USA. [Comisso, Luca] Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08544 USA. [Comisso, Luca] Politecn Torino, Dipartimento Energia, I-10129 Turin, Italy. [Comisso, Luca] CNR, Ist Sistemi Complessi, I-00185 Rome, Italy. [Mahajan, Swadesh M.] Univ Texas Austin, Inst Fus Studies, Austin, TX 78712 USA. RP Asenjo, FA (reprint author), Univ Adolfo Ibanez, Fac Ingn & Ciencias, Santiago 7941169, Chile. EM felipe.asenjo@uai.cl; lcomisso@princeton.edu; mahajan@mail.utexas.edu OI Comisso, Luca/0000-0001-8822-8031 FU Fondecyt-Chile [11140025] FX F.A.A. thanks Fondecyt-Chile for Funding No. 11140025. NR 33 TC 4 Z9 4 U1 1 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 DEC PY 2015 VL 22 IS 12 AR 122109 DI 10.1063/1.4938039 PG 4 WC Physics, Fluids & Plasmas SC Physics GA DA0AZ UT WOS:000367460400019 ER PT J AU Burgos, JMM Tritz, K Stutman, D Bell, RE LeBlanc, BP Sabbagh, SA AF Burgos, J. M. Munoz Tritz, K. Stutman, D. Bell, R. E. LeBlanc, B. P. Sabbagh, S. A. TI Applications of advanced kinetic collisional radiative modeling and Bremsstrahlung emission to quantitative impurity analysis on the National Spherical Torus Experiment SO PHYSICS OF PLASMAS LA English DT Article ID HYDROGENIC IONS; RECOMBINATION; STATES; POPULATIONS; PLASMAS AB An advanced kinetic collisional radiative model is used to predict beam into plasma charge-exchange visible and extreme UV (XUV similar to 50 - 700 angstrom) light emission to quantify impurity density profiles on NSTX. This kinetic model is first benchmarked by predicting line-of-sight integrated emission for the visible lambda = 5292.0 angstrom line of carbon (C VI n = 8 -> 7), and comparing these predictions to absolute calibrated measurements from the active CHarge-Exchange Recombination Spectroscopy diagnostic (CHERS) on NSTX. Once benchmarked, the model is used to predict charge-exchange emission for the 182.1 angstrom line of carbon (C VI n = 3 -> 2) that is used to scale Bremsstrahlung continuum emission in the UV/XUV region. The scaled Bremsstrahlung emission is used as a base to estimate an absolute intensity calibration curve of a XUV Transmission Grating-based Imaging Spectrometer (TGIS) diagnostic installed on the National Spherical Torus Experiment (NSTX and upgrade NSTX-U). The TGIS diagnostic operates in the wavelength region similar to 50 - 700 angstrom, and it is used to measure impurity spectra from charge-exchange emission. Impurity densities are estimated by fitting synthetic emission from the kinetic charge-exchange model to TGIS spectral measurements. (C) 2015 AIP Publishing LLC. C1 [Burgos, J. M. Munoz; Tritz, K.; Stutman, D.] Johns Hopkins Univ, Dept Phys & Astron, Baltimore, MD 21218 USA. [Bell, R. E.; LeBlanc, B. P.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Sabbagh, S. A.] Columbia Univ, New York, NY 10027 USA. RP Burgos, JMM (reprint author), Johns Hopkins Univ, Dept Phys & Astron, Baltimore, MD 21218 USA. EM jmunozbu@pppl.gov; ktritz@pppl.gov; dstutma1@jhu.edu; rbell@pppl.gov; leblanc@pppl.gov; sabbagh@pppl.gov RI Stutman, Dan/P-4048-2015 FU U.S. Department of Energy (DoE) [DE-S0000787]; U.S. DoE [DE-AC02-09ch11466] FX The work at Johns Hopkins University was supported by the U.S. Department of Energy (DoE) under Grant: DE-S0000787. The work at PPPL was supported under U.S. DoE Grant: DE-AC02-09ch11466. NR 35 TC 0 Z9 0 U1 1 U2 4 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 DEC PY 2015 VL 22 IS 12 AR 123301 DI 10.1063/1.4936953 PG 11 WC Physics, Fluids & Plasmas SC Physics GA DA0AZ UT WOS:000367460400075 ER PT J AU Finn, JM Cole, AJ Brennan, DP AF Finn, John M. Cole, Andrew J. Brennan, Dylan P. TI Error field penetration and locking to the backward propagating wave SO PHYSICS OF PLASMAS LA English DT Article ID DRIFT-TEARING MODES; RESISTIVE INSTABILITIES; TOKAMAK PLASMA; CYLINDRICAL GEOMETRY; CONFIGURATIONS; STABILITY; PINCH AB In this letter, we investigate error field penetration, or locking, behavior in plasmas having stable tearing modes with finite real frequencies omega(r) in the plasma frame. In particular, we address the fact that locking can drive a significant equilibrium flow. We show that this occurs at a velocity slightly above v = omega(r)/k, corresponding to the interaction with a backward propagating tearing mode in the plasma frame. Results are discussed for a few typical tearing mode regimes, including a new derivation showing that the existence of real frequencies occurs for viscoresistive tearing modes, in an analysis including the effects of pressure gradient, curvature, and parallel dynamics. The general result of locking to a finite velocity flow is applicable to a wide range of tearing mode regimes, indeed any regime where real frequencies occur. (C) 2015 AIP Publishing LLC. C1 [Finn, John M.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Cole, Andrew J.] Columbia Univ, Dept Appl Math & Appl Phys, New York, NY 10027 USA. [Brennan, Dylan P.] Princeton Univ, Plasma Phys Lab, Princeton, NJ 08543 USA. RP Finn, JM (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. FU DOE Office of Science, Fusion Energy Sciences; DOE Office of Science [DE-SC0014005, DE-SC0014119]; NNSA of the U.S. DOE by LANL; DOE [DEAC52-06NA25396] FX The work of J. M. Finn was supported by the DOE Office of Science, Fusion Energy Sciences and performed under the auspices of the NNSA of the U.S. DOE by LANL, operated by LANS LLC under DOE Contract No. DEAC52-06NA25396. The work of D. P. Brennan and A. J. Cole was supported by the DOE Office of Science collaborative Grant Nos. DE-SC0014005 and DE-SC0014119, respectively. The authors would like to thank A. Bhattacharjee, R. White, and L. Delgado-Aparicio for useful discussions. NR 25 TC 0 Z9 0 U1 3 U2 3 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 DEC PY 2015 VL 22 IS 12 AR 120701 DI 10.1063/1.4939211 PG 5 WC Physics, Fluids & Plasmas SC Physics GA DA0AZ UT WOS:000367460400001 ER PT J AU Harvey-Thompson, AJ Sefkow, AB Nagayama, TN Wei, MS Campbell, EM Fiksel, G Chang, PY Davies, JR Barnak, DH Glebov, VY Fitzsimmons, P Fooks, J Blue, BE AF Harvey-Thompson, A. J. Sefkow, A. B. Nagayama, T. N. Wei, M. S. Campbell, E. M. Fiksel, G. Chang, P. -Y. Davies, J. R. Barnak, D. H. Glebov, V. Y. Fitzsimmons, P. Fooks, J. Blue, B. E. TI Diagnosing laser-preheated magnetized plasmas relevant to magnetized liner inertial fusion SO PHYSICS OF PLASMAS LA English DT Article ID SIMULATIONS; INSTABILITIES; PROPAGATION; MODELS AB We present a platform on the OMEGA EP Laser Facility that creates and diagnoses the conditions present during the preheat stage of the MAGnetized Liner Inertial Fusion (MagLIF) concept. Experiments were conducted using 9 kJ of 3 omega (355 nm) light to heat an underdense deuterium gas (electron density: 2.5 x 10(20) cm(-3) = 0.025 of critical density) magnetized with a 10 T axial field. Results show that the deuterium plasma reached a peak electron temperature of 670 +/- 140 eV, diagnosed using streaked spectroscopy of an argon dopant. The results demonstrate that plasmas relevant to the preheat stage of MagLIF can be produced at multiple laser facilities, thereby enabling more rapid progress in understanding magnetized preheat. Results are compared with magneto-radiation-hydrodynamics simulations, and plans for future experiments are described. VC 2015 AIP Publishing LLC. C1 [Harvey-Thompson, A. J.; Sefkow, A. B.; Nagayama, T. N.; Campbell, E. M.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Wei, M. S.; Fitzsimmons, P.; Fooks, J.; Blue, B. E.] Gen Atom, San Diego, CA 92186 USA. [Fiksel, G.; Chang, P. -Y.; Davies, J. R.; Barnak, D. H.; Glebov, V. Y.] Univ Rochester, Laser Energet Lab, Rochester, NY 14623 USA. RP Harvey-Thompson, AJ (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. RI Chang, Po-Yu/L-5745-2016; OI Barnak, Daniel/0000-0002-4646-7517 FU National Nuclear Security Administration [DE-AC04-94AL85000, DE-NA0001944]; Laboratory Directed Research and Development [173190]; U.S. Department of Energy (Fusion Science Center) [DE-FG02-04ER54786, DE-FC02-04ER54789]; Office of Fusion Energy Science; University of Rochester; New York State Energy Research and Development Authority FX The authors gratefully acknowledge the outstanding support of the entire OMEGA EP crew at the Laboratory for Laser Energetics. The authors also acknowledge useful discussions with Michael Cuneo, Kyle Peterson, Steven Slutz, Christopher Jennings, and Daniel Sinars. A.B.S. acknowledges J. M. Koning and M. M. Marinak for code support. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the National Nuclear Security Administration under Contract No. DE-AC04-94AL85000. Support provided in part by the Laboratory Directed Research and Development Project No. 173190. This material is based upon work supported by the U.S. Department of Energy under Cooperative Agreement Nos. DE-FG02-04ER54786 and DE-FC02-04ER54789 (Fusion Science Center) with the Office of Fusion Energy Science and by the National Nuclear Security Administration under Award No. DE-NA0001944, the University of Rochester, and the New York State Energy Research and Development Authority. The support of DOE does not constitute an endorsement by DOE of the views expressed in this article. NR 28 TC 1 Z9 1 U1 1 U2 9 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 DEC PY 2015 VL 22 IS 12 AR 122708 DI 10.1063/1.4938047 PG 12 WC Physics, Fluids & Plasmas SC Physics GA DA0AZ UT WOS:000367460400049 ER PT J AU He, Y Qin, H Sun, YJ Xiao, JY Zhang, RL Liu, J AF He, Yang Qin, Hong Sun, Yajuan Xiao, Jianyuan Zhang, Ruili Liu, Jian TI Hamiltonian time integrators for Vlasov-Maxwell equations SO PHYSICS OF PLASMAS LA English DT Article ID ALGORITHMS; SYSTEM AB Hamiltonian time integrators for the Vlasov-Maxwell equations are developed by a Hamiltonian splitting technique. The Hamiltonian functional is split into five parts, which produces five exactly solvable subsystems. Each subsystem is a Hamiltonian system equipped with the Morrison-Marsden-Weinstein Poisson bracket. Compositions of the exact solutions provide Poisson structure preserving/Hamiltonian methods of arbitrary high order for the Vlasov-Maxwell equations. They are then accurate and conservative over a long time because of the Poisson-preserving nature. (c) 2015 AIP Publishing LLC. C1 [He, Yang; Qin, Hong; Xiao, Jianyuan; Zhang, Ruili; Liu, Jian] Univ Sci & Technol China, Sch Nucl Sci & Technol, Hefei 230026, Anhui, Peoples R China. [He, Yang; Qin, Hong; Xiao, Jianyuan; Zhang, Ruili; Liu, Jian] Univ Sci & Technol China, Dept Modern Phys, Hefei 230026, Anhui, Peoples R China. [He, Yang; Xiao, Jianyuan; Zhang, Ruili; Liu, Jian] Chinese Acad Sci, Key Lab Geospace Environm, Hefei 230026, Anhui, Peoples R China. [Qin, Hong] Princeton Univ, Plasma Phys Lab, Princeton, NJ USA. [Sun, Yajuan] Chinese Acad Sci, Acad Math & Syst Sci, LSEC, Beijing 100190, Peoples R China. RP He, Y (reprint author), Univ Sci & Technol China, Sch Nucl Sci & Technol, Hefei 230026, Anhui, Peoples R China. OI Liu, Jian/0000-0001-7484-401X FU National Natural Science Foundation of China [11271357, 11261140328, 11305171, 11505185]; CAS; ITER-China Program [2015GB111003, 2014GB124005, 2013GB111000]; JSPS-NRF-NSFC A3 Foresight Program in the field of Plasma Physics [NSFC-11261140328]; Fundamental Research Funds for the Central Universities [WK2030040057] FX This research was supported by the National Natural Science Foundation of China (11271357, 11261140328, 11305171, 11505185), the CAS Program for Interdisciplinary Collaboration Team, the ITER-China Program (2015GB111003, 2014GB124005, and 2013GB111000), the JSPS-NRF-NSFC A3 Foresight Program in the field of Plasma Physics (NSFC-11261140328), and the Fundamental Research Funds for the Central Universities (WK2030040057). NR 29 TC 6 Z9 6 U1 12 U2 31 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 DEC PY 2015 VL 22 IS 12 AR 124503 DI 10.1063/1.4938034 PG 4 WC Physics, Fluids & Plasmas SC Physics GA DA0AZ UT WOS:000367460400106 ER PT J AU Ma, X Maurer, DA Knowlton, SF ArchMiller, MC Cianciosa, MR Ennis, DA Hanson, JD Hartwell, GJ Hebert, JD Herfindal, JL Pandya, MD Roberds, NA Traverso, PJ AF Ma, X. Maurer, D. A. Knowlton, S. F. ArchMiller, M. C. Cianciosa, M. R. Ennis, D. A. Hanson, J. D. Hartwell, G. J. Hebert, J. D. Herfindal, J. L. Pandya, M. D. Roberds, N. A. Traverso, P. J. TI Non-axisymmetric equilibrium reconstruction of a current-carrying stellarator using external magnetic and soft x-ray inversion radius measurements SO PHYSICS OF PLASMAS LA English DT Article ID PLASMA; DIAGNOSTICS; STABILITY; PROFILES; FIELD AB Non-axisymmetric free-boundary equilibrium reconstructions of stellarator plasmas are performed for discharges in which the magnetic configuration is strongly modified by ohmically driven plasma current. These studies were performed on the compact toroidal hybrid device using the V3FIT reconstruction code with a set of 50 magnetic diagnostics external to the plasma. With the assumption of closed magnetic flux surfaces, the reconstructions using external magnetic measurements allow accurate estimates of the net toroidal flux within the last closed flux surface, the edge safety factor, and the plasma shape of these highly non-axisymmetric plasmas. The inversion radius of standard saw-teeth is used to infer the current profile near the magnetic axis; with external magnetic diagnostics alone, the current density profile is imprecisely reconstructed. (C) 2015 AIP Publishing LLC. C1 [Ma, X.; Maurer, D. A.; Knowlton, S. F.; ArchMiller, M. C.; Ennis, D. A.; Hanson, J. D.; Hartwell, G. J.; Hebert, J. D.; Herfindal, J. L.; Pandya, M. D.; Roberds, N. A.; Traverso, P. J.] Auburn Univ, Dept Phys, Auburn, AL 36849 USA. [Cianciosa, M. R.] Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. RP Ma, X (reprint author), Auburn Univ, Dept Phys, Auburn, AL 36849 USA. EM xzm0005@auburn.edu OI Ma, Xinxing/0000-0002-7326-2146; Herfindal, Jeffrey/0000-0003-2846-597X FU U.S. Department of Energy [DE-FG02-00ER54610] FX We thank J. Bialek of Columbia University for running the VALEN code for CTH geometry and J. Dawson of Auburn University for his role in operating and maintaining the CTH facility. Data for the figures presented in this article may be found at http://www.auburn.edu/academic/cosam/departments/physics/research/fusion /publications.htm. This work is supported by U.S. Department of Energy Grant No. DE-FG02-00ER54610. NR 24 TC 0 Z9 0 U1 0 U2 1 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 DEC PY 2015 VL 22 IS 12 AR 122509 DI 10.1063/1.4938031 PG 9 WC Physics, Fluids & Plasmas SC Physics GA DA0AZ UT WOS:000367460400037 ER PT J AU Milovich, JL Robey, HF Clark, DS Baker, KL Casey, DT Cerjan, C Field, J MacPhee, AG Pak, A Patel, PK Peterson, JL Smalyuk, VA Weber, CR AF Milovich, J. L. Robey, H. F. Clark, D. S. Baker, K. L. Casey, D. T. Cerjan, C. Field, J. MacPhee, A. G. Pak, A. Patel, P. K. Peterson, J. L. Smalyuk, V. A. Weber, C. R. TI Design of indirectly driven, high-compression Inertial Confinement Fusion implosions with improved hydrodynamic stability using a 4-shock adiabat-shaped drive SO PHYSICS OF PLASMAS LA English DT Article ID INSTABILITY; SHOCK AB Experimental results from indirectly driven ignition implosions during the National Ignition Campaign (NIC) [M. J. Edwards et al., Phys. Plasmas 20, 070501 (2013)] achieved a record compression of the central deuterium-tritium fuel layer with measured areal densities up to 1.2 g/cm(2), but with significantly lower total neutron yields (between 1.5 x 10(14) and 5.5 x 10(14)) than predicted, approximately 10% of the 2D simulated yield. An order of magnitude improvement in the neutron yield was subsequently obtained in the "high-foot" experiments [O.A. Hurricane et al., Nature 506, 343 (2014)]. However, this yield was obtained at the expense of fuel compression due to deliberately higher fuel adiabat. In this paper, the design of an adiabat-shaped implosion is presented, in which the laser pulse is tailored to achieve similar resistance to ablation-front instability growth, but with a low fuel adiabat to achieve high compression. Comparison with measured performance shows a factor of 3-10x improvement in the neutron yield (>40% of predicted simulated yield) over similar NIC implosions, while maintaining a reasonable fuel compression of > 1 g/cm(2). Extension of these designs to higher laser power and energy is discussed to further explore the trade-off between increased implosion velocity and the deleterious effects of hydrodynamic instabilities. (C) 2015 AIP Publishing LLC. C1 [Milovich, J. L.; Robey, H. F.; Clark, D. S.; Baker, K. L.; Casey, D. T.; Cerjan, C.; Field, J.; MacPhee, A. G.; Pak, A.; Patel, P. K.; Peterson, J. L.; Smalyuk, V. A.; Weber, C. R.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Milovich, JL (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM milovich1@llnl.gov RI Patel, Pravesh/E-1400-2011; OI Cerjan, Charles/0000-0002-5168-6845 FU Lawrence Livermore National Security, LLC, (LLNS) [DE-AC52-07NA27344] FX We wish to thank the entire NIF experimental and design team for useful comments and guidance. We would like to acknowledge especially P. Celliers for the unfolding and analysis of the VISAR data, B. Bachmann for his analysis of EXHI data of the keyhole targets. This work was performed under the auspices of the Lawrence Livermore National Security, LLC, (LLNS) under Contract No. DE-AC52-07NA27344. NR 60 TC 10 Z9 10 U1 1 U2 10 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD DEC PY 2015 VL 22 IS 12 AR 122702 DI 10.1063/1.4935922 PG 11 WC Physics, Fluids & Plasmas SC Physics GA DA0AZ UT WOS:000367460400043 ER PT J AU Pak, A Dewald, EL Landen, OL Milovich, J Strozzi, DJ Hopkins, LFB Bradley, DK Divol, L Ho, DD MacKinnon, AJ Meezan, NB Michel, P Moody, JD Moore, AS Schneider, MB Town, RPJ Hsing, WW Edwards, MJ AF Pak, A. Dewald, E. L. Landen, O. L. Milovich, J. Strozzi, D. J. Hopkins, L. F. Berzak Bradley, D. K. Divol, L. Ho, D. D. MacKinnon, A. J. Meezan, N. B. Michel, P. Moody, J. D. Moore, A. S. Schneider, M. B. Town, R. P. J. Hsing, W. W. Edwards, M. J. TI Laser absorption, power transfer, and radiation symmetry during the first shock of inertial confinement fusion gas-filled hohlraum experiments SO PHYSICS OF PLASMAS LA English DT Article ID NATIONAL-IGNITION-FACILITY; TARGETS; GAIN AB Temporally resolved measurements of the hohlraum radiation flux asymmetry incident onto a bismuth coated surrogate capsule have been made over the first two nanoseconds of ignition relevant laser pulses. Specifically, we study the P2 asymmetry of the incoming flux as a function of cone fraction, defined as the inner-to-total laser beam power ratio, for a variety of hohlraums with different scales and gas fills. This work was performed to understand the relevance of recent experiments, conducted in new reduced-scale neopentane gas filled hohlraums, to full scale helium filled ignition targets. Experimental measurements, matched by 3D view factor calculations, are used to infer differences in symmetry, relative beam absorption, and cross beam energy transfer (CBET), employing an analytic model. Despite differences in hohlraum dimensions and gas fill, as well as in laser beam pointing and power, we find that laser absorption, CBET, and the cone fraction, at which a symmetric flux is achieved, are similar to within 25% between experiments conducted in the reduced and full scale hohlraums. This work demonstrates a close surrogacy in the dynamics during the first shock between reduced-scale and full scale implosion experiments and is an important step in enabling the increased rate of study for physics associated with inertial confinement fusion. (C) 2015 AIP Publishing LLC. C1 [Pak, A.; Dewald, E. L.; Landen, O. L.; Milovich, J.; Strozzi, D. J.; Hopkins, L. F. Berzak; Bradley, D. K.; Divol, L.; Ho, D. D.; MacKinnon, A. J.; Meezan, N. B.; Michel, P.; Moody, J. D.; Moore, A. S.; Schneider, M. B.; Town, R. P. J.; Hsing, W. W.; Edwards, M. J.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Pak, A (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. OI Strozzi, David/0000-0001-8814-3791 FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX The authors sincerely thank the NIF operations staff who supported this work. 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 19 TC 4 Z9 4 U1 0 U2 8 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 DEC PY 2015 VL 22 IS 12 AR 122701 DI 10.1063/1.4936803 PG 10 WC Physics, Fluids & Plasmas SC Physics GA DA0AZ UT WOS:000367460400042 ER PT J AU Ruiz, JR Ren, Y Guttenfelder, W White, AE Kaye, SM Leblanc, BP Mazzucato, E Lee, KC Domier, CW Smith, DR Yuh, H AF Ruiz, J. Ruiz Ren, Y. Guttenfelder, W. White, A. E. Kaye, S. M. Leblanc, B. P. Mazzucato, E. Lee, K. C. Domier, C. W. Smith, D. R. Yuh, H. TI Stabilization of electron-scale turbulence by electron density gradient in national spherical torus experiment SO PHYSICS OF PLASMAS LA English DT Article ID TRANSPORT; NSTX; SCATTERING; WAVES AB Theory and experiments have shown that electron temperature gradient (ETG) turbulence on the electron gyro-scale, k(perpendicular to)rho(e) less than or similar to 1, can be responsible for anomalous electron thermal transport in NSTX. Electron scale (high-k) turbulence is diagnosed in NSTX with a high-k microwave scattering system [D. R. Smith et al., Rev. Sci. Instrum. 79, 123501 (2008)]. Here we report on stabilization effects of the electron density gradient on electron-scale density fluctuations in a set of neutral beam injection heated H-mode plasmas. We found that the absence of high-k density fluctuations from measurements is correlated with large equilibrium density gradient, which is shown to be consistent with linear stabilization of ETG modes due to the density gradient using the analytical ETG linear threshold in F. Jenko et al. [Phys. Plasmas 8, 4096 (2001)] and linear gyrokinetic simulations with GS2 [M. Kotschenreuther et al., Comput. Phys. Commun. 88, 128 (1995)]. We also found that the observed power of electron-scale turbulence (when it exists) is anti-correlated with the equilibrium density gradient, suggesting density gradient as a nonlinear stabilizing mechanism. Higher density gradients give rise to lower values of the plasma frame frequency, calculated based on the Doppler shift of the measured density fluctuations. Linear gyrokinetic simulations show that higher values of the electron density gradient reduce the value of the real frequency, in agreement with experimental observation. Nonlinear electron-scale gyrokinetic simulations show that high electron density gradient reduces electron heat flux and stiffness, and increases the ETG nonlinear threshold, consistent with experimental observations. (C) 2015 AIP Publishing LLC. C1 [Ruiz, J. Ruiz; White, A. E.] MIT, Plasma Sci & Fus Ctr, Cambridge, MA 02139 USA. [Ren, Y.; Guttenfelder, W.; Kaye, S. M.; Leblanc, B. P.; Mazzucato, E.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Lee, K. C.] Natl Fus Res Inst, Daejeon, South Korea. [Domier, C. W.] Univ Calif Davis, Davis, CA 95616 USA. [Smith, D. R.] Univ Wisconsin, Madison, WI 53706 USA. [Yuh, H.] Nova Photon Inc, Princeton, NJ 08540 USA. RP Ruiz, JR (reprint author), MIT, Plasma Sci & Fus Ctr, 77 Massachusetts Ave, Cambridge, MA 02139 USA. FU US. D.O.E. [DE-AC02-09CH11466]; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX The author would like to thank all the coauthors and the NSTX Team. The author would particularly like to thank N. A. Crocker for enlightening discussions. This work has been supported by US. D.O.E. Contract No. DE-AC02-09CH11466. Computer simulations were carried out at 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. The digital data for this paper can be found in http://arks.princeton.edu/ark:/88435/dsp018p58pg29j. NR 34 TC 1 Z9 1 U1 1 U2 3 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 DEC PY 2015 VL 22 IS 12 AR 122501 DI 10.1063/1.4936110 PG 13 WC Physics, Fluids & Plasmas SC Physics GA DA0AZ UT WOS:000367460400029 ER PT J AU Scheiner, B Baalrud, SD Yee, BT Hopkins, MM Barnat, EV AF Scheiner, Brett Baalrud, Scott D. Yee, Benjamin T. Hopkins, Matthew M. Barnat, Edward V. TI Theory of the electron sheath and presheath SO PHYSICS OF PLASMAS LA English DT Article ID PLASMA; PROBE; COLLECTION; DISCHARGE AB Electron sheaths are commonly found near Langmuir probes collecting the electron saturation current. The common assumption is that the probe collects the random flux of electrons incident on the sheath, which tacitly implies that there is no electron presheath and that the flux collected is due to a velocity space truncation of the electron velocity distribution function (EVDF). This work provides a dedicated theory of electron sheaths, which suggests that they are not so simple. Motivated by EVDFs observed in particle-in-cell (PIC) simulations, a 1D model for the electron sheath and presheath is developed. In the model, under low temperature plasma conditions (T-e >> T-i), an electron pressure gradient accelerates electrons in the presheath to a flow velocity that exceeds the electron thermal speed at the sheath edge. This pressure gradient generates large flow velocities compared to what would be generated by ballistic motion in response to the electric field. It is found that in many situations, under common plasma conditions, the electron presheath extends much further into the plasma than an analogous ion presheath. PIC simulations reveal that the ion density in the electron presheath is determined by a flow around the electron sheath and that this flow is due to 2D aspects of the sheath geometry. Simulations also indicate the presence of ion acoustic instabilities excited by the differential flow between electrons and ions in the presheath, which result in sheath edge fluctuations. The 1D model and time averaged PIC simulations are compared and it is shown that the model provides a good description of the electron sheath and presheath. (c) 2015 AIP Publishing LLC. C1 [Scheiner, Brett; Baalrud, Scott D.] Univ Iowa, Dept Phys & Astron, Iowa City, IA 52242 USA. [Yee, Benjamin T.; Hopkins, Matthew M.; Barnat, Edward V.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Scheiner, B (reprint author), Univ Iowa, Dept Phys & Astron, Iowa City, IA 52242 USA. EM brett-scheiner@uiowa.edu OI scheiner, brett/0000-0001-6002-9129 FU Office of Fusion Energy Science at the U.S. Department of Energy [DE-AC04-94SL85000]; U.S. Department of Energy, Office of Science, Office of Workforce Development for Teachers and Scientists, Office of Science Graduate Student Research (SCGSR) program; DOE [DE-AC05-06OR23100] FX This research was supported by the Office of Fusion Energy Science at the U.S. Department of Energy under Contract No. DE-AC04-94SL85000. The first author was also supported by the U.S. Department of Energy, Office of Science, Office of Workforce Development for Teachers and Scientists, Office of Science Graduate Student Research (SCGSR) program. The SCGSR program is administered by the Oak Ridge Institute for Science and Education for the DOE under Contract No. DE-AC05-06OR23100. NR 39 TC 8 Z9 8 U1 5 U2 19 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD DEC PY 2015 VL 22 IS 12 AR 123520 DI 10.1063/1.4939024 PG 12 WC Physics, Fluids & Plasmas SC Physics GA DA0AZ UT WOS:000367460400096 ER PT J AU Schneider, MB MacLaren, SA Widmann, K Meezan, NB Hammer, JH Yoxall, BE Bell, PM Benedetti, LR Bradley, DK Callahan, DA Dewald, EL Doppner, T Eder, DC Edwards, MJ Guymer, TM Hinkel, DE Hohenberger, M Hsing, WW Kervin, ML Kilkenny, JD Landen, OL Lindl, JD May, MJ Michel, P Milovich, JL Moody, JD Moore, AS Ralph, JE Regan, SP Thomas, CA Wan, AS AF Schneider, M. B. MacLaren, S. A. Widmann, K. Meezan, N. B. Hammer, J. H. Yoxall, B. E. Bell, P. M. Benedetti, L. R. Bradley, D. K. Callahan, D. A. Dewald, E. L. Doeppner, T. Eder, D. C. Edwards, M. J. Guymer, T. M. Hinkel, D. E. Hohenberger, M. Hsing, W. W. Kervin, M. L. Kilkenny, J. D. Landen, O. L. Lindl, J. D. May, M. J. Michel, P. Milovich, J. L. Moody, J. D. Moore, A. S. Ralph, J. E. Regan, S. P. Thomas, C. A. Wan, A. S. TI The size and structure of the laser entrance hole in gas-filled hohlraums at the National Ignition Facility SO PHYSICS OF PLASMAS LA English DT Article ID TARGETS; BALANCE; PLASMA AB At the National Ignition Facility, a thermal X-ray drive is created by laser energy from 192 beams heating the inside walls of a gold cylinder called a "hohlraum." The x-ray drive heats and implodes a fuel capsule. The laser beams enter the hohlraum via laser entrance holes (LEHs) at each end. The LEH radius decreases as heated plasma from the LEH material blows radially inward but this is largely balanced by hot plasma from the high-intensity region in the center of the LEH pushing radially outward. The x-ray drive on the capsule is deduced by measuring the time evolution and spectra of the x-radiation coming out of the LEH and correcting for geometry and for the radius of the LEH. Previously, the LEH radius was measured using time-integrated images in an x-ray band of 3-5 keV (outside the thermal x-ray region). For gas-filled hohlraums, the measurements showed that the LEH radius is larger than that predicted by the standard High Flux radiation-hydrodynamic model by about 10%. A new platform using a truncated hohlraum ("ViewFactor hohlraum") is described, which allows time-resolved measurements of the LEH radius at thermal x-ray energies from two views, from outside the hohlraum and from inside the hohlraum. These measurements show that the LEH radius closes during the low power part of the pulse but opens up again at peak power. The LEH radius at peak power is larger than that predicted by the models by about 15%-20% and does not change very much with time. In addition, time-resolved images in a >4 keV (non-thermal) x-ray band show a ring of hot, optically thin gold plasma just inside the optically thick LEH plasma. The structure of this plasma varies with time and with Cross Beam Energy Transfer. (C) 2015 AIP Publishing LLC. C1 [Schneider, M. B.; MacLaren, S. A.; Widmann, K.; Meezan, N. B.; Hammer, J. H.; Yoxall, B. E.; Bell, P. M.; Benedetti, L. R.; Bradley, D. K.; Callahan, D. A.; Dewald, E. L.; Doeppner, T.; Eder, D. C.; Edwards, M. J.; Hinkel, D. E.; Hsing, W. W.; Kervin, M. L.; Landen, O. L.; Lindl, J. D.; May, M. J.; Michel, P.; Milovich, J. L.; Moody, J. D.; Moore, A. S.; Ralph, J. E.; Thomas, C. A.; Wan, A. S.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Guymer, T. M.; Moore, A. S.] Atom Weap Estab, Reading RG7 4PR, Berks, England. [Hohenberger, M.; Regan, S. P.] Univ Rochester, Laser Energet Lab, Rochester, NY 14623 USA. [Kilkenny, J. D.] Gen Atom, San Diego, CA 92186 USA. RP Schneider, MB (reprint author), Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94550 USA. EM schneider5@llnl.gov FU Lawrence Livermore National Security, LLC, (LLNS) [DE-AC52-07NA27344] FX The authors would like to acknowledge the efforts of the NIF Operations, Laser Performance, Target Diagnostics, and Target Fabrication Teams. This work was performed under the auspices of the Lawrence Livermore National Security, LLC, (LLNS) under Contract No. DE-AC52-07NA27344. NR 50 TC 4 Z9 4 U1 3 U2 13 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 DEC PY 2015 VL 22 IS 12 AR 122705 DI 10.1063/1.4937369 PG 16 WC Physics, Fluids & Plasmas SC Physics GA DA0AZ UT WOS:000367460400046 ER PT J AU Sydorenko, D Kaganovich, ID Chen, L Ventzek, PLG AF Sydorenko, D. Kaganovich, I. D. Chen, L. Ventzek, P. L. G. TI Generation of anomalously energetic suprathermal electrons by an electron beam interacting with a nonuniform plasma SO PHYSICS OF PLASMAS LA English DT Article ID DENSITY GRADIENTS; FIELD; WAVE AB Generation of anomalously energetic suprathermal electrons was observed in simulation of a high-voltage dc discharge with electron emission from the cathode. An electron beam produced by the emission interacts with the nonuniform plasma in the discharge via a two-stream instability. The energy transfer from the beam to the plasma electrons is ensured by the plasma nonuniformity. The electron beam excites plasma waves whose wavelength and phase speed gradually decrease towards anode. The waves with short wavelength near the anode accelerate plasma bulk electrons to suprathermal energies. The sheath near the anode reflects some of the accelerated electrons back into the plasma. These electrons travel through the plasma, reflect near the cathode, and enter the accelerating area again but with a higher energy than before. Such particles are accelerated to energies much higher than after the first acceleration. This mechanism plays a role in explaining earlier experimental observations of energetic suprathermal electrons in similar discharges. (C) 2015 AIP Publishing LLC. C1 [Sydorenko, D.] Univ Alberta, Edmonton, AB T6G 2E1, Canada. [Kaganovich, I. D.] Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Chen, L.; Ventzek, P. L. G.] Tokyo Electron Amer, Austin, TX 78741 USA. RP Sydorenko, D (reprint author), Univ Alberta, Edmonton, AB T6G 2E1, Canada. FU U.S. Department of Energy FX D. Sydorenko and I. D. Kaganovich are supported by the U.S. Department of Energy. NR 30 TC 4 Z9 4 U1 2 U2 5 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD DEC PY 2015 VL 22 IS 12 AR 123510 DI 10.1063/1.4937785 PG 6 WC Physics, Fluids & Plasmas SC Physics GA DA0AZ UT WOS:000367460400086 ER PT J AU Velikovich, AL Schmit, PF AF Velikovich, A. L. Schmit, P. F. TI Bell-Plesset effects in Rayleigh-Taylor instability of finite-thickness spherical and cylindrical shells SO PHYSICS OF PLASMAS LA English DT Article ID NONLINEAR EVOLUTION; THIN-LAYER; PINCHES AB Bell-Plesset (BP) effects account for the influence of global convergence or divergence of the fluid flow on the evolution of the interfacial perturbations embedded in the flow. The development of the Rayleigh-Taylor instability in radiation-driven spherical capsules and magnetically-driven cylindrical liners necessarily includes a significant contribution from BP effects due to the time dependence of the radius, velocity, and acceleration of the unstable surfaces or interfaces. An analytical model is presented that, for an ideal incompressible fluid and small perturbation amplitudes, exactly evaluates the BP effects in finite-thickness shells through acceleration and deceleration phases. The time-dependent dispersion equations determining the "instantaneous growth rate" are derived. It is demonstrated that by integrating this approximate growth rate over time, one can accurately evaluate the number of perturbation e-foldings during the inward acceleration phase of the implosion. In the limit of small shell thickness, exact thin-shell perturbation equations and approximate thin-shell dispersion equations are obtained, generalizing the earlier results [E. G. Harris, Phys. Fluids 5, 1057 (1962); E. Ott, Phys. Rev. Lett. 29, 1429 (1972); A. B. Bud'ko et al., Phys. Fluids B 2, 1159 (1990)]. (C) 2015 AIP Publishing LLC. C1 [Velikovich, A. L.] US Navy, Res Lab, Div Plasma Phys, Washington, DC 20375 USA. [Schmit, P. F.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Velikovich, AL (reprint author), US Navy, Res Lab, Div Plasma Phys, Washington, DC 20375 USA. OI Velikovich, Alexander/0000-0002-2782-6246 FU National Nuclear Security Administration of DOE; Laboratory Directed Research and Development (LDRD) Program [165746]; Sandia Corporation under its U.S. Department of Energy [DE-AC04-94AL85000] FX The authors are grateful to D. B. Sinars, K. L. Peterson, R. D. McBride, A. B. Sefkow, M. P. Desjarlais, J. L. Giuliani, D. D. Ryutov, M. A. Dorf, and E. L. Ruden for helpful discussions. This research was supported by the National Nuclear Security Administration of DOE, and in part by an appointment of P.F.S. to the Sandia National Laboratories Truman Fellowship in National Security Science and Engineering, which is part of the Laboratory Directed Research and Development (LDRD) Program, Project No. 165746, and sponsored by Sandia Corporation (a wholly owned subsidiary of Lockheed Martin Corporation) as Operator of Sandia National Laboratories under its U.S. Department of Energy Contract No. DE-AC04-94AL85000. NR 39 TC 5 Z9 5 U1 1 U2 3 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 DEC PY 2015 VL 22 IS 12 AR 122711 DI 10.1063/1.4938272 PG 16 WC Physics, Fluids & Plasmas SC Physics GA DA0AZ UT WOS:000367460400052 ER PT J AU Zemedkun, SE Che, S Chen, Y Domier, CW Luhmann, NC Munsat, T Parker, SE Tobias, B Wan, W Yu, L AF Zemedkun, S. E. Che, S. Chen, Y. Domier, C. W. Luhmann, N. C., Jr. Munsat, T. Parker, S. E. Tobias, B. Wan, W. Yu, L. TI Spatially resolved measurements of two-dimensional turbulent structures in DIII-D plasmas SO PHYSICS OF PLASMAS LA English DT Article ID ELECTRON-TEMPERATURE FLUCTUATIONS; EXPERIMENTAL TOKAMAK-UPGRADE; CYCLOTRON EMISSION; GYROKINETIC SIMULATION; MODE TURBULENCE; DENSITY PEAKING; TRANSPORT; CORE; MICROTURBULENCE; COLLISIONALITY AB Two-dimensional observations of spatially coherent electron temperature fluctuations at drift-wave scales (k similar to 1 cm(-1)) have been made using the electron cyclotron emission imaging diagnostic on the DIII-D tokamak. These measurements enable the extraction of spectral properties, including poloidal dispersion relations. Temperature fluctuation levels are found to be (T) over tilde (e)= < T-e > = 1: 2%, and the phase velocity of the fluctuations is found to be constant across frequencies, consistent with modes having real frequencies low compared to the rotation-induced Doppler shifts. Comparisons with radially global linear gyrokinetic simulations suggest that the observed modes may be trapped electron modes. (C) 2015 AIP Publishing LLC. C1 [Zemedkun, S. E.; Chen, Y.; Munsat, T.; Parker, S. E.; Wan, W.] Univ Colorado, Ctr Integrated Plasma Studies, Boulder, CO 80309 USA. [Che, S.; Domier, C. W.; Luhmann, N. C., Jr.; Yu, L.] Univ Calif Davis, Davis, CA 95616 USA. [Tobias, B.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Zemedkun, SE (reprint author), Univ Colorado, Ctr Integrated Plasma Studies, Boulder, CO 80309 USA. EM Samuel.Zemedkun@Colorado.EDU FU U.S. Department of Energy [DE-SC0003913, DE-FG02-99ER54531, DE-AC02-09CH11466, DE-FG02-08ER54954, DE-FC02-04ER54698] FX The authors gratefully acknowledge Brian Grierson, Jon Hillesheim, and James DeBoo for their help in this work. This work was supported by U.S. Department of Energy Contract Nos. DE-SC0003913, DE-FG02-99ER54531, DE-AC02-09CH11466, DE-FG02-08ER54954, and DE-FC02-04ER54698. NR 63 TC 1 Z9 1 U1 1 U2 6 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 DEC PY 2015 VL 22 IS 12 AR 122508 DI 10.1063/1.4938032 PG 8 WC Physics, Fluids & Plasmas SC Physics GA DA0AZ UT WOS:000367460400036 ER PT J AU Brown, K Phillips, M Grulke, C Yoon, M Young, B McDougall, R Leonard, J Lu, JT Lefew, W Tan, YM AF Brown, Kathleen Phillips, Martin Grulke, Christopher Yoon, Miyoung Young, Bruce McDougall, Robin Leonard, Jeremy Lu, Jingtao Lefew, William Tan, Yu-Mei TI Reconstructing exposures from biomarkers using exposure-pharmacokinetic modeling - A case study with carbaryl SO REGULATORY TOXICOLOGY AND PHARMACOLOGY LA English DT Article DE Exposure reconstruction; Biomarker interpretation; Pharmacokinetic modeling; Physiologically based pharmacokinetic model; Carbaryl; Markov Chain Monte Carlo; Discretized Bayesian; Exposure conversion factor; CARES; Population-based biomonitoring ID VOLATILE ORGANIC-COMPOUNDS; HUMAN BIOMONITORING DATA; TO-OUTCOME MODEL; INSECTICIDE RESIDUES; REVERSE DOSIMETRY; DIETARY EXPOSURES; TRICHLOROETHYLENE; EPIDEMIOLOGY; PERCHLORATE; KINETICS AB Sources of uncertainty involved in exposure reconstruction for short half-life chemicals were characterized using computational models that link external exposures to biomarkers. Using carbaryl as an example, an exposure model, the Cumulative and Aggregate Risk Evaluation System (CARES), was used to generate time-concentration profiles for 500 virtual individuals exposed to carbaryl. These exposure profiles were used as inputs into a physiologically based pharrnacokinetic (PBPK) model to predict urinary biomarker concentrations. These matching dietary intake levels and biomarker concentrations were used to (1) compare three reverse dosimetry approaches based on their ability to predict the central tendency of the intake dose distribution; and (2) identify parameters necessary for a more accurate exposure reconstruction. This study illustrates the trade-offs between using non-iterative reverse dosimetry methods that are fast, less precise and iterative methods that are slow, more precise. This study also intimates the necessity of including urine flow rate and elapsed time between last dose and urine sampling as part of the biomarker sampling collection for better interpretation of urinary biomarker data of short biological half-life chemicals. Resolution of these critical data gaps can allow exposure reconstruction methods to better predict population-level intake doses from large biomonitoring studies. Published by Elsevier Ltd. C1 [Brown, Kathleen; Tan, Yu-Mei] US EPA, Natl Exposure Res Lab, Durham, NC 27709 USA. [Phillips, Martin] Minnesota Dept Hlth, St Paul, MN USA. [Grulke, Christopher] Lockheed Martin, Durham, NC USA. [Yoon, Miyoung] Hamner Inst Hlth Sci, Durham, NC USA. [Young, Bruce] Bayer CropSci, Durham, NC USA. [McDougall, Robin] Astra Zeneca, Boston, MA USA. [Leonard, Jeremy; Lu, Jingtao] Oak Ridge Inst Sci & Educ, Oak Ridge, TN USA. [Lefew, William] Meemir Consulting, Durham, NC USA. RP Tan, YM (reprint author), US EPA, Natl Exposure Res Lab, Durham, NC 27709 USA. EM tan.cecilia@epa.gov OI Phillips, Martin/0000-0002-6282-529X; McDougall, Robin/0000-0002-5850-9075 FU Oak Ridge Institute for Science and Education's Research Participation Program at the US-Environmental Protection Agency FX The authors would like to thank Yuching Yang at the Hamner Institute for clarifications regarding the human PBPK model for carbaryl. The authors are also grateful to Drs. Rogelio Tornero-Velez, Lisa Baxter, and Roy Fortmann at the EPA for their review and comments. Jingtao Lu and Jeremy Leonard are funded by the Oak Ridge Institute for Science and Education's Research Participation Program at the US-Environmental Protection Agency. NR 51 TC 1 Z9 1 U1 0 U2 8 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0273-2300 EI 1096-0295 J9 REGUL TOXICOL PHARM JI Regul. Toxicol. Pharmacol. PD DEC PY 2015 VL 73 IS 3 BP 689 EP 698 DI 10.1016/j.yrtph.2015.10.031 PG 10 WC Medicine, Legal; Pharmacology & Pharmacy; Toxicology SC Legal Medicine; Pharmacology & Pharmacy; Toxicology GA CZ7KX UT WOS:000367279400001 PM 26545325 ER PT J AU Gao, Y Wkram, CH Duan, JJ Chou, JR AF Gao, Ying Wkram, Chris Hadri Duan, Jiajie Chou, Jarong TI A Novel Energy-Aware Distributed Clustering Algorithm for Heterogeneous Wireless Sensor Networks in the Mobile Environment SO SENSORS LA English DT Article DE heterogeneous wireless sensor networks; sensor computing; distributed clustering algorithm; collaborative information processing; energy efficient; mobile sensor ID PROTOCOL; SCHEME AB In order to prolong the network lifetime, energy-efficient protocols adapted to the features of wireless sensor networks should be used. This paper explores in depth the nature of heterogeneous wireless sensor networks, and finally proposes an algorithm to address the problem of finding an effective pathway for heterogeneous clustering energy. The proposed algorithm implements cluster head selection according to the degree of energy attenuation during the network's running and the degree of candidate nodes' effective coverage on the whole network, so as to obtain an even energy consumption over the whole network for the situation with high degree of coverage. Simulation results show that the proposed clustering protocol has better adaptability to heterogeneous environments than existing clustering algorithms in prolonging the network lifetime. C1 [Gao, Ying] S China Univ Technol, Coll Comp Sci & Engn, Guangzhou 510006, Guangdong, Peoples R China. [Wkram, Chris Hadri] Univ Calif, Lawrence Berkeley Natl Lab, Oakland, CA 94612 USA. [Duan, Jiajie] Yun Nan Elect Power Test & Res Inst Grp CO, Kunming 650217, Peoples R China. [Chou, Jarong] Michigan State Univ, Coll Engn, E Lansing, MI 48824 USA. RP Chou, JR (reprint author), Michigan State Univ, Coll Engn, E Lansing, MI 48824 USA. EM gaoying@scut.edu.cn; chrish.w.zhang@gmail.com; duanzealot@163.com; jahhorog.chou@gmail.com FU National Natural Science Foundation of China [51204071]; Fundamental Research Funds for the Central Universities [2013ZZ0047]; Science and Technology Planning Project of Guangdong Province [2012B010100019] FX This project is supported by the National Natural Science Foundation of China which is under grant No. 51204071, the Fundamental Research Funds for the Central Universities (2013ZZ0047), and the Science and Technology Planning Project of Guangdong Province (2012B010100019). NR 29 TC 0 Z9 0 U1 1 U2 7 PU MDPI AG PI BASEL PA POSTFACH, CH-4005 BASEL, SWITZERLAND SN 1424-8220 J9 SENSORS-BASEL JI Sensors PD DEC PY 2015 VL 15 IS 12 BP 31108 EP 31124 DI 10.3390/s151229836 PG 17 WC Chemistry, Analytical; Electrochemistry; Instruments & Instrumentation SC Chemistry; Electrochemistry; Instruments & Instrumentation GA DA1EM UT WOS:000367539100084 PM 26690440 ER PT J AU Yue, YF Fulvio, PF Dai, S AF Yue, Yanfeng Fulvio, Pasquale F. Dai, Sheng TI Hierarchical Metal-Organic Framework Hybrids: Perturbation-Assisted Nanofusion Synthesis SO ACCOUNTS OF CHEMICAL RESEARCH LA English DT Review ID TEMPLATE-FREE SYNTHESIS; PRUSSIAN BLUE; MESOPOROUS SILICA; SURFACE FUNCTIONALIZATION; DIRECTED SYNTHESIS; GAS-ADSORPTION; ION-EXCHANGE; MOLECULES; ENCAPSULATION; CATALYSIS AB CONSPECTUS: Metal-organic frameworks (MOFs) represent a new family of microporous materials; however, microporous-mesoporous hierarchical MOF materials have been less investigated because of the lack of simple, reliable methods to introduce mesopores to the crystalline microporous particles. State-of-the-art MOF hierarchical materials have been prepared by ligand extension methods or by using a template, resulting in intrinsic mesopores of longer ligands or replicated pores from template agents, respectively. However, mesoporous MOF materials obtained through ligand extension often collapse in the absence of guest molecules, which dramatically reduces the size of the pore aperture. Although the template-directed strategy allows for the preparation of hierarchical materials with larger mesopores, the latter requires a template removal step, which may result in the collapse of the implemented mesopores. Recently, a general template-free synthesis of hierarchical microporous crystalline frameworks, such as MOFs and Prussian blue analogues (PBAs), has been reported. This new method is based on the kinetically controlled precipitation (perturbation), with simultaneous condensation and redissolution of polymorphic nanocrystallites in the mother liquor. This method further eliminates the use of extended organic ligands and the micropores do not collapse upon removal of trapped guest solvent molecules, thus yielding hierarchical MOF materials with intriguing porosity in the gram scale. The hierarchical MOP materials prepared in this way exhibited exceptional properties when tested for the adsorption of large organic dyes over their corresponding microporous frameworks, due to the enhanced pore accessibility and electrolyte diffusion within the mesopores. As for PBAs, the pore size distribution of these materials can be tailored by changing the metals substituting Fe cations in the PB lattice. For these, the textural mesopores increased from approximately 10 nm for Cu analogue (mesoCuHCF), to 16 nm in Co substituted compound (mesoCoHCF), and to as large as 30 nm for the Ni derivative (mesoNiHCF). While bulk PB and analogues have a higher capacitance than hierarchical analogues for Na-batteries, the increased accessibility to the microporous channels of PBAs allow for faster intercalated ion exchange and diffusion than in bulk PBA crystals. Thus, hierarchical PBAs are promising candidates for electrodes in future electrochemical energy storage devices with faster charge discharge rates than batteries, namely pseudocapacitors. Finally, this new synthetic method opens the possibility to prepare hierarchical materials having bimodal distribution of mesopores, and to tailor the structural properties of MOFs for different applications, including contrasting agents for MRI, and drug delivery. C1 [Yue, Yanfeng; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Fulvio, Pasquale F.] Univ Puerto Rico, Dept Chem, San Juan, PR 00931 USA. [Dai, Sheng] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. [Yue, Yanfeng] Sul Ross State Univ, Dept Biol Geol & Phys Sci, Alpine, TX 79832 USA. RP Yue, YF (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM yanfeng.yue@sulross.edu; dais@ornl.gov RI Dai, Sheng/K-8411-2015; Fulvio, Pasquale/B-2968-2014 OI Dai, Sheng/0000-0002-8046-3931; Fulvio, Pasquale/0000-0001-7580-727X FU Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, US Department of Energy [DE-AC05-00OR22725]; Oak Ridge National Laboratory FX This research was sponsored by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, US Department of Energy, under Contract DE-AC05-00OR22725 with Oak Ridge National Laboratory, which is managed and operated by UT-Battelle, LLC. NR 57 TC 8 Z9 8 U1 67 U2 228 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 DEC PY 2015 VL 48 IS 12 BP 3044 EP 3052 DI 10.1021/acs.accounts.5b00349 PG 9 WC Chemistry, Multidisciplinary SC Chemistry GA CZ1NB UT WOS:000366871400007 PM 26636772 ER PT J AU Waller, PJ Gandara, F Yaghi, OM AF Waller, Peter J. Gandara, Felipe Yaghi, Omar M. TI Chemistry of Covalent Organic Frameworks SO ACCOUNTS OF CHEMICAL RESEARCH LA English DT Review ID POROUS POLYMER NETWORKS; RETICULAR CHEMISTRY; DESIGNED SYNTHESIS; TARGETED SYNTHESIS; THIN-FILMS; CRYSTALLINE; STABILITY; CONSTRUCTION; DELAMINATION; ADSORPTION AB CONSPECTUS: Linking organic molecules by covalent bonds into extended solids typically generates amorphous, disordered materials. The ability to develop strategies for obtaining crystals of such solids is of interest because it opens the way for precise control of the geometry and functionality of the extended structure, and the stereochemical orientation of its constituents. Covalent organic frameworks (COFs) are a new class of porous covalent organic structures whose backbone is composed entirely of light elements (B, C, N, O, Si) that represent a successful demonstration of how crystalline materials of covalent solids can be achieved. COFs are made by combination of organic building units covalently linked into extended structures to make crystalline materials. The attainment of crystals is done by several techniques in which a balance is struck between the thermodynamic reversibility of the linking reactions and their kinetics. This success has led to the expansion of COF materials to include organic units linked by these strong covalent bonds: B-O, C N, B N, and B O Si. Since the organic constituents of COFs, when linked, do not undergo significant change in their overall geometry, it has been possible to predict the structures of the resulting COFs, and this advantage has facilitated their characterization using powder X-ray diffraction (PXRD) techniques. It has also allowed for the synthesis of COF structures by design and for their formation with the desired composition, pore size, and aperture. In practice, the modeled PXRD pattern for a given expected COF is compared with the experimental one, and depending on the quality of the match, this is used as a starting point for solving and then refining the crystal structure of the target COF. These characteristics make COFs an attractive class of new porous materials. Accordingly, they have been used as gas storage materials for energy applications, solid supports for catalysis, and optoelectronic devices. A large and growing library of linkers amenable to the synthesis of COFs is now available, and new COFs and topologies made by reticular synthesis are being reported. Much research is also directed toward the development of new methods of linking organic building units to generate other crystalline COFs. These efforts promise not only new COF chemistry and materials, but also the chance to extend the precision of molecular covalent chemistry to extended solids. C1 [Waller, Peter J.; Yaghi, Omar M.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Waller, Peter J.; Yaghi, Omar M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Gandara, Felipe] CSIC, Inst Ciencia Mat Madrid, Dept Nuevas Arquitecturas Quim Mat, E-28049 Madrid, Spain. [Yaghi, Omar M.] King Abdulaziz City Sci & Technol, Riyadh 11442, Saudi Arabia. RP Gandara, F (reprint author), CSIC, Inst Ciencia Mat Madrid, Dept Nuevas Arquitecturas Quim Mat, Sor Juana Ines de la Cruz 3, E-28049 Madrid, Spain. EM gandara@icmm.csic.es; yaghi@berkeley.edu RI Gandara, Felipe/B-9198-2013; OI Gandara, Felipe/0000-0002-1671-6260; Yaghi, Omar/0000-0002-5611-3325; Waller, Peter/0000-0002-4013-8827 FU BASF (Ludwigshafen, Germany); Department of Energy (Office of Basic Science); King Abdulaziz City for Science and Technology; Spanish Ministry of Economy and Competitiveness FX P.J.W. and O.M.Y. thank BASF (Ludwigshafen, Germany), the Department of Energy (Office of Basic Science), and the King Abdulaziz City for Science and Technology for financial support. F.G. acknowledges the Spanish Ministry of Economy and Competitiveness for funding through the "Juan de la Cierva" program. NR 49 TC 90 Z9 90 U1 186 U2 542 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 DEC PY 2015 VL 48 IS 12 BP 3053 EP 3063 DI 10.1021/acs.accounts.5b00369 PG 11 WC Chemistry, Multidisciplinary SC Chemistry GA CZ1NB UT WOS:000366871400008 PM 26580002 ER PT J AU Onses, MS Wan, L Liu, XY Kiremitler, NB Yilmaz, H Nealey, PF AF Onses, M. Serdar Wan, Lei Liu, Xiaoying Kiremitler, N. Burak Yilmaz, Hatice Nealey, Paul F. TI Self-Assembled Nanoparticle Arrays on Chemical Nanopatterns Prepared Using Block Copolymer Lithography SO ACS MACRO LETTERS LA English DT Article ID POLY(ETHYLENE GLYCOL) BRUSHES; AU NANOPARTICLES; GOLD NANOPARTICLES; POLYMER BRUSHES; FILMS; PATTERNS; SURFACES; FABRICATION; RESOLUTION; DOTS AB We present a high-throughput and inexpensive fabrication approach that uses self-assembled block copolymer (BCP) films as templates to generate dense nanoscale chemical patterns of polymer brushes for the selective immobilization of Au nanoparticles (NPs). A cross-linked random copolymer mat that contains styrene and methyl methacrylate units serves both as a base layer for perpendicular assembly of nanoscale domains of poly(styrene-block-methyl methacrylate) (PS-b-PMMA) films and as a nonadsorbing background layer that surrounds the chemical patterns. The selective removal of the PMMA block and the underlying mat via oxygen plasma etching generates binding sites which are then functionalized with poly(2-vinylpyridine) (P2VP) brushes. Au NPs with a diameter of 13 nm selectively immobilize on the patterned P2VP brushes. An essential aspect in fabricating high quality chemical patterns is the superior behavior of methyl methacrylate containing cross-linked mats in retaining their chemistry during the grafting of P2VP brushes. The use of BCPs with different molecular weights and volume fractions allows for preparation of chemical patterns with different geometries, sizes, and pitches for generating arrays of single particles that hold great promise for applications that range from molecular sensing to optical devices. C1 [Onses, M. Serdar; Kiremitler, N. Burak; Yilmaz, Hatice] Erciyes Univ, Nanotechnol Res Ctr ERNAM, Dept Mat Sci & Engn, TR-38039 Kayseri, Turkey. [Wan, Lei] HGST, San Jose Res Ctr, San Jose, CA 95135 USA. [Liu, Xiaoying; Nealey, Paul F.] Univ Chicago, Inst Mol Engn, Chicago, IL 60637 USA. [Nealey, Paul F.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Nealey, PF (reprint author), Univ Chicago, Inst Mol Engn, Chicago, IL 60637 USA. EM nealey@uchicago.edu FU Erciyes University [FBA-2014-5600]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences-Materials Science [DE-AC02-06CH11357] FX This work was supported by the Research Fund of the Erciyes University (Project Number: FBA-2014-5600) and the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences-Materials Science (Contract No. DE-AC02-06CH11357). NR 39 TC 3 Z9 3 U1 14 U2 68 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2161-1653 J9 ACS MACRO LETT JI ACS Macro Lett. PD DEC PY 2015 VL 4 IS 12 BP 1356 EP 1361 DI 10.1021/acsmacrolett.5b00644 PG 6 WC Polymer Science SC Polymer Science GA CZ1MI UT WOS:000366869500010 ER PT J AU Thelen, JL Wu, SL Jayier, AE Srinivasan, V Balsara, NP Patel, SN AF Thelen, Jacob L. Wu, Shao-Ling Jayier, Anna E. Srinivasan, Venkat Balsara, Nitash P. Patel, Shrayesh N. TI Relationship between Mobility and Lattice Strain in Electrochemically Doped Poly(3-hexylthiophene) SO ACS MACRO LETTERS LA English DT Article ID FIELD-EFFECT MOBILITY; X-RAY-DIFFRACTION; LITHIUM BATTERY ELECTRODES; CHARGE-TRANSPORT; MOLECULAR-WEIGHT; REGIOREGULAR POLY(3-HEXYLTHIOPHENE); CONJUGATED POLYMERS; SEMICONDUCTING POLYMERS; CARRIER MOBILITIES; EFFECT TRANSISTORS AB Conjugated semiconducting polymers, such as poly(3-hexylthiophene) (P3HT), are poised to play an integral role in the development of organic electronic devices; however, their performance is governed by factors that are intrinsically coupled: dopant concentration, carrier mobility, crystal structure, and mesoscale morphology. We utilize synchrotron X-ray scattering and electrochemical impedance spectroscopy to probe the crystal structure and electronic properties of P3HT in situ during electrochemical doping. We show that doping strains the crystalline domains, coincident with an exponential increase in hole mobility. We believe these observations provide guidance for the development of improved theoretical models for charge transport in semiconducting polymers. C1 [Thelen, Jacob L.; Balsara, Nitash P.; Patel, Shrayesh N.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. [Thelen, Jacob L.; Balsara, Nitash P.; Patel, Shrayesh N.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Thelen, Jacob L.; Wu, Shao-Ling; Jayier, Anna E.; Srinivasan, Venkat; Balsara, Nitash P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, JCESR, Berkeley, CA 94720 USA. [Wu, Shao-Ling; Jayier, Anna E.; Srinivasan, Venkat; Balsara, Nitash P.; Patel, Shrayesh N.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. RP Patel, SN (reprint author), Univ Calif Santa Barbara, Mat Res Lab, Santa Barbara, CA 93106 USA. EM shrayesh@berkeley.edu FU Joint Center for Energy Storage Research, an Energy Innovation Hub - U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences (BES); Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was primarily supported by the Joint Center for Energy Storage Research, an Energy Innovation Hub funded by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences (BES). X-ray scattering experiments were performed at Lawrence Berkeley National Laboratory's Advance Light Source, Beamline 7.3.3. Beamline 7.3.3 of the Advanced Light Source is supported by the Director of the Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 41 TC 1 Z9 1 U1 8 U2 13 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2161-1653 J9 ACS MACRO LETT JI ACS Macro Lett. PD DEC PY 2015 VL 4 IS 12 BP 1386 EP 1391 DI 10.1021/acsmacrolett.5b00827 PG 6 WC Polymer Science SC Polymer Science GA CZ1MI UT WOS:000366869500016 ER PT J AU Mitrofanov, O Brener, I Luk, TS Reno, JL AF Mitrofanov, Oleg Brener, Igal Luk, Ting Shan Reno, John L. TI Photoconductive Terahertz Near-Field Detector with a Hybrid Nanoantenna Array Cavity SO ACS PHOTONICS LA English DT Article DE nanoantenna; terahertz; near-field microscopy; light trapping; plasmons ID WAVE-GUIDE; OPTICAL-ABSORPTION; MIE RESONANCES; ENHANCEMENT; OPTOELECTRONICS; DIFFRACTION; PHOTOMIXER; GENERATION; APERTURES; EMISSION AB Nanoscale structuring of optical materials leads to modification of their properties and can be used for improving efficiencies of photonic devices and for enabling new functionalities. In ultrafast optoelectronic switches for generation and detection of terahertz (THz) radiation, incorporation of nanostructures allows us to overcome inherent limitations of photoconductive materials. We propose and demonstrate a nanostructured photoconductive THz detector for sampling highly localized THz fields, down to the level of lambda/150. The nanostructure that consists of an array of optical nanoantennas and a distributed Bragg reflector forms a hybrid cavity, which traps optical gate pulses within the photoconductive layer. The effect of photon trapping is observed as enhanced absorption at a designed wavelength. This optically thin photoconductive THz detector allows us to detect highly confined evanescent THz fields coupled through a deeply subwavelength aperture as small as 2 pm (lambda/150 at 1 THz). By monolithically integrating the THz detector with apertures ranging from 2 to 5 mu m we realize higher spatial resolution and higher sensitivity in aperture-type THz near-field microscopy and THz time-domain spectroscopy. C1 [Mitrofanov, Oleg] UCL, Elect & Elect Engn, London WC1E 7JE, England. [Mitrofanov, Oleg; Brener, Igal; Luk, Ting Shan; Reno, John L.] Sandia Natl Labs, Ctr Integrated Technol, Albuquerque, NM 87185 USA. [Brener, Igal; Luk, Ting Shan; Reno, John L.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Mitrofanov, O (reprint author), UCL, Elect & Elect Engn, London WC1E 7JE, England. EM o.mitrofanov@ucl.ac.uk RI Mitrofanov, Oleg/C-1938-2008 OI Mitrofanov, Oleg/0000-0003-3510-2675 FU Royal Society [UF 130493]; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work is supported by the Royal Society (Grant No. UF 130493), and it was performed at UCL and 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. NR 43 TC 10 Z9 10 U1 5 U2 29 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2330-4022 J9 ACS PHOTONICS JI ACS Photonics PD DEC PY 2015 VL 2 IS 12 BP 1763 EP 1768 DI 10.1021/acsphotonics.5b00475 PG 6 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Optics; Physics, Applied; Physics, Condensed Matter SC Science & Technology - Other Topics; Materials Science; Optics; Physics GA CZ1SC UT WOS:000366884600018 ER PT J AU Krishnamurthy, M Hennelly, SP Dale, T Starkenburg, SR Marti-Arbona, R Fox, DT Twary, SN Sanbonmatsu, KY Unkefer, CJ AF Krishnamurthy, Malathy Hennelly, Scott P. Dale, Taraka Starkenburg, Shawn R. Marti-Arbona, Ricardo Fox, David T. Twary, Scott N. Sanbonmatsu, Karissa Y. Unkefer, Clifford J. TI Tunable Riboregulator Switches for Post-transcriptional Control of Gene Expression SO ACS SYNTHETIC BIOLOGY LA English DT Article DE riboregulators; translational control; gene expression; synthetic biology; pathway engineering ID FLUORESCENT PROTEIN GENE; SYNTHETIC BIOLOGY; ESCHERICHIA-COLI; SINGLE-COPY; SMALL RNAS; TRANSLATION; REGULATORS; BACTERIA; PATHWAY; OPTIMIZATION AB Until recently, engineering strategies for altering gene expression have focused on transcription control using strong inducible promoters or one of several methods to knock down wasteful genes. Recently, synthetic riboregulators have been developed for translational regulation of gene expression. Here, we report a new modular synthetic riboregulator class that has the potential to finely tune protein expression and independently control the concentration of each enzyme in an engineered metabolic pathway. This development is important because the most straightforward approach to altering the flux through a particular metabolic step is to increase or decrease the concentration of the enzyme. Our design includes a cis-repressor at the 5' end of the mRNA that forms a stem-loop helix, occluding the ribosomal binding sequence and blocking translation. A trans-expressed activating-RNA frees the ribosomal-binding sequence, which turns on translation. The overall architecture of the riboregulators is designed using Watson Crick base-pairing stability. We describe here a cis-repressor that can completely shut off translation of antibiotic-resistance reporters and a trans-activator that restores translation. We have established that it is possible to use these riboregulators to achieve translational control of gene expression over a wide dynamic range. We have also found that a targeting sequence can be modified to develop riboregulators that can, in principle, independently regulate translation of many genes. In a selection experiment, we demonstrated that by subtly altering the sequence of the trans-activator it is possible to alter the ratio of the repressed and activated states and to achieve intermediate translational control. C1 [Krishnamurthy, Malathy; Dale, Taraka; Starkenburg, Shawn R.; Marti-Arbona, Ricardo; Fox, David T.; Twary, Scott N.; Unkefer, Clifford J.] Los Alamos Natl Lab, Biosci Div, Bioenergy & Biome Sci, Los Alamos, NM 87545 USA. [Hennelly, Scott P.; Sanbonmatsu, Karissa Y.] Los Alamos Natl Lab, Div Theoret, Theoret Biol & Biophys, Los Alamos, NM 87545 USA. RP Sanbonmatsu, KY (reprint author), Los Alamos Natl Lab, Biosci Div, Bioenergy & Biome Sci, Los Alamos, NM 87545 USA. EM kys@lanl.gov; cju@lanl.gov OI Twary, Scott/0000-0002-5074-6658 FU U.S. Department of Energy through the LANL/LDRD Program FX We gratefully acknowledge the support of the U.S. Department of Energy through the LANL/LDRD Program for this work. We thank Dr. Sathish Rajamani for providing the plasmid template for the LUX operon and scientific discussions. We also thank Lucas B. Harrington for providing plasmid pZ0 for the flow cytometry and subdoning studies and Dr. Donald A. Bryant for the yfp gene, which was generously donated as part of the pAQ1Ex-cpc plasmid. We thank Dr. Virginia A. Unkefer for editing this manuscript. NR 37 TC 2 Z9 3 U1 6 U2 18 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2161-5063 J9 ACS SYNTH BIOL JI ACS Synth. Biol. PD DEC PY 2015 VL 4 IS 12 BP 1326 EP 1334 DI 10.1021/acssynbio.5b00041 PG 9 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA CZ1SD UT WOS:000366884700008 PM 26165796 ER PT J AU Gadde, U Rathinam, T Lillehoj, HS AF Gadde, U. Rathinam, T. Lillehoj, Hyun S. TI Passive immunization with hyperimmune egg-yolk IgY as prophylaxis and therapy for poultry diseases - A review SO ANIMAL HEALTH RESEARCH REVIEWS LA English DT Article DE hyperimmune IgY; egg yolk antibodies; enteric infections; poultry ID ENTEROTOXIGENIC ESCHERICHIA-COLI; INFECTIOUS BURSAL DISEASE; CHICKEN EGG; SALMONELLA-ENTERITIDIS; CAMPYLOBACTER-JEJUNI; ANTIBODY IGY; IMMUNOGLOBULIN-Y; IN-VITRO; EIMERIA-ACERVULINA; BROILER-CHICKENS AB Passive immunization with pathogen-specific egg yolk antibodies (IgY) is emerging as a potential alternative to antibiotics for the treatment and prevention of various human and animal diseases. Laying hens are an excellent source of high-quality polyclonal antibodies, which can be collected noninvasively from egg yolks. The use of IgY offers several advantages in that it is environmentally friendly, nontoxic, and reduces the numbers of animals required for antibody production. This paper reviews the use of IgY antibodies in the treatment and prevention of enteric pathogen infections in poultry. Brief descriptions of the production, structure, and properties of IgY are also presented. Some limitations of the technology and future perspectives are discussed. C1 [Gadde, U.; Lillehoj, Hyun S.] USDA ARS, Beltsville Agr Res Ctr, Anim Biosci & Biotechnol Lab, Beltsville, MD 20705 USA. [Gadde, U.] USDA ARS, Beltsville Agr Res Ctr, ORISE Res Participat Program, Anim Biosci & Biotechnol Lab, Beltsville, MD 20705 USA. RP Lillehoj, HS (reprint author), USDA ARS, Beltsville Agr Res Ctr, Anim Biosci & Biotechnol Lab, Beltsville, MD 20705 USA. EM hyun.lillehoj@ars.usda.gov FU ARS-USDA CRIS in Animal Health (NP103) [8042-32000-097-00D] FX This project was supported by ARS-USDA CRIS in Animal Health (NP103) # 8042-32000-097-00D. NR 149 TC 0 Z9 0 U1 8 U2 21 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA EDINBURGH BLDG, SHAFTESBURY RD, CB2 8RU CAMBRIDGE, ENGLAND SN 1466-2523 EI 1475-2654 J9 ANIM HEALTH RES REV JI Anim. Health Res. Rev. PD DEC PY 2015 VL 16 IS 2 BP 163 EP 176 DI 10.1017/S1466252315000195 PG 14 WC Veterinary Sciences SC Veterinary Sciences GA CZ5YI UT WOS:000367177900006 PM 26568433 ER PT J AU Cavallin, JE Schroeder, AL Jensen, KM Villeneuve, DL Blackwell, BR Carlson, K Kahl, MD LaLone, CA Randolph, EC Ankley, GT AF Cavallin, J. E. Schroeder, A. L. Jensen, K. M. Villeneuve, D. L. Blackwell, B. R. Carlson, K. Kahl, M. D. LaLone, C. A. Randolph, E. C. Ankley, G. T. TI Evaluation of whole-mount in situ hybridization as a tool for pathway-based toxicological research with early-life stage fathead minnows SO AQUATIC TOXICOLOGY LA English DT Article DE Development; Adverse outcome pathway; Fathead minnow; Endocrine disruption ID ADVERSE OUTCOME PATHWAYS; WATER TREATMENT PLANTS; EARLY FISH DEVELOPMENT; PIMEPHALES-PROMELAS; GENE-EXPRESSION; WASTE-WATER; CONCEPTUAL-FRAMEWORK; ZEBRAFISH; ESTROGENS; 17-ALPHA-ETHYNYLESTRADIOL AB Early-life stage fish can be more sensitive to toxicants than adults, so delineating mechanisms of perturbation of biological pathways by chemicals during this life stage is crucial. Whole-mount in situ hybridization (WISH) paired with quantitative real-time polymerase chain reaction (QPCR) assays can enhance pathway-based analyses through determination of specific tissues where changes in gene expression are occurring. While WISH has frequently been used in zebrafish (Danio rerio), this technology has not previously been applied to fathead minnows (Pimephales promelas), another well-established small fish model species. The objective of the present study was to adapt WISH to fathead minnow embryos and larvae, and use the approach to evaluate the effects of estrone, an environmentally-relevant estrogen receptor (ER) agonist. Embryos were exposed via the water to 0, 18 or 1800 ng estrone/L (0, 0.067 and 6.7 nM) for 3 or 6 days in a solvent-free, flow-through test system. Relative transcript abundance of three estrogen-responsive genes, estrogen receptor-alpha (esr1), cytochrome P450-aromatase B (cyp19b), and vitellogenin (vtg) was examined in pooled whole embryos using QPCR, and the spatial distribution of up-regulated gene transcripts was examined in individual fish using WISH. After 3 days of exposure to 1800 ng estrone/L, esr1 and cyp19b were significantly up-regulated, while vtg mRNA expression was not affected. After 6 days of exposure to 1800 ng estrone/L, transcripts for all three genes were significantly up-regulated. Corresponding WISH assays revealed spatial distribution of esr1 and vtg in the liver region, an observation consistent with activation of the hepatic ER. This study clearly demonstrates the potential utility of WISH, in conjunction with QPCR, to examine the mechanistic basis of the effects of toxicants on early-life stage fathead minnows. (C) 2015 Elsevier B.V. All rights reserved. C1 [Cavallin, J. E.] Univ Minnesota, Integrated Biosci Grad Program, Duluth, MN 55812 USA. [Schroeder, A. L.] Univ Minnesota, Water Resources Ctr, US EPA, Midcontinent Ecol Div,Off Res & Dev,Natl Hlth & E, Duluth, MN 55804 USA. [Jensen, K. M.; Villeneuve, D. L.; Kahl, M. D.; LaLone, C. A.; Randolph, E. C.; Ankley, G. T.] US EPA, Off Res & Dev, Natl Hlth & Environm Effects Res Lab, Midcontinent Ecol Div, Duluth, MN 55804 USA. [Blackwell, B. R.] US EPA, ORISE Res Participat Program, Off Res & Dev, Natl Hlth & Environm Effects Res Lab,Midcontinent, Duluth, MN 55804 USA. [Carlson, K.] Univ St Thomas, Dept Biol, St Paul, MN 55105 USA. RP Cavallin, JE (reprint author), Univ Minnesota, Integrated Biosci Grad Program, 1035 Univ Dr, Duluth, MN 55812 USA. EM cavallin.jenna@epa.gov FU University of Minnesota-U.S. Environmental Protection Agency Cooperative Training Partnership FX We thank Krysta Nelson (EPA), Joe Korte (EPA), Kevin Lott (Badger Technical Services), and Dalma Martinovic-Weigelt (University of St. Thomas) for additional technical support and assistance. We also thank Jon Haselman for reviewing an earlier draft of this manuscript. J. Cavallin was supported in part by the University of Minnesota-U.S. Environmental Protection Agency Cooperative Training Partnership. This article has been reviewed in accordance with official U.S. EPA policy. Mention of products or trade names does not indicate endorsement or recommendation for use. Conclusions drawn in this study neither constitute nor reflect the view or policies of the U.S. EPA. NR 34 TC 1 Z9 1 U1 3 U2 13 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0166-445X EI 1879-1514 J9 AQUAT TOXICOL JI Aquat. Toxicol. PD DEC PY 2015 VL 169 BP 19 EP 26 DI 10.1016/j.aquatox.2015.10.002 PG 8 WC Marine & Freshwater Biology; Toxicology SC Marine & Freshwater Biology; Toxicology GA CZ3TV UT WOS:000367027800003 PM 26485527 ER PT J AU Shen, YW Jarboe, L Brown, R Wen, ZY AF Shen, Yanwen Jarboe, Laura Brown, Robert Wen, Zhiyou TI A thermochemical-biochemical hybrid processing of lignocellulosic biomass for producing fuels and chemicals SO BIOTECHNOLOGY ADVANCES LA English DT Review DE Hybrid process; Biomass; Fast pyrolysis; Pyrolytic substrates; bio-oil fractionation; Detoxification; Syngas fermentation; Mass transfer limitation; Commercialization ID COMPLETE GENOME SEQUENCE; ETHANOLOGENIC ESCHERICHIA-COLI; SYNTHESIS GAS FERMENTATION; HOLLOW-FIBER MEMBRANE; MONOXIDE MASS-TRANSFER; RHODOPSEUDOMONAS-PALUSTRIS P4; EUBACTERIUM-LIMOSUM KIST612; THERMOCOCCUS-ONNURINEUS NA1; IMPROVED BIOFUEL PRODUCTION; YEAST YARROWIA-LIPOLYTICA AB Thermochemical-biological hybrid processing uses thermochemical decomposition of lignocellulosic biomass to produce a variety of intermediate compounds that can be converted into fuels and chemicals through microbial fermentation. It represents a unique opportunity for biomass conversion as it mitigates some of the deficiencies of conventional biochemical (pretreatment-hydrolysis-fermentation) and thermochemical (pyrolysis or gasification) processing. Thermochemical-biological hybrid processing includes two pathways: (i) pyrolysis/pyrolytic substrate fermentation, and (ii) gasification/syngas fermentation. This paper provides a comprehensive review of these two hybrid processing pathways, including the characteristics of fermentative substrates produced in the thermochemical stage and microbial utilization of these compounds in the fermentation stage. The current challenges of these two biomass conversion pathways include toxicity of the crude pyrolytic substrates, the inhibition of raw syngas contaminants, and the mass-transfer limitations in syngas fermentation. Possible approaches for mitigating substrate toxicities are discussed. The review also provides a summary of the current efforts to commercialize hybrid processing. (C) 2015 Elsevier Inc. All rights reserved. C1 [Shen, Yanwen] Argonne Natl Lab, Div Energy Syst, Lemont, IL 60539 USA. [Jarboe, Laura] Iowa State Univ, Dept Chem & Biol Engn, Ames, IA 50011 USA. [Brown, Robert] Iowa State Univ, Ctr Sustainable & Environm Technol, Ames, IA 50011 USA. [Wen, Zhiyou] Iowa State Univ, Dept Food Sci & Human Nutr, Ames, IA 50011 USA. RP Wen, ZY (reprint author), Iowa State Univ, Dept Food Sci & Human Nutr, Ames, IA 50011 USA. EM wenz@iastate.edu FU NSF Process and Reaction Engineering [CBET-1438042]; NSF Energy for Sustainability [CBET-1133319]; NSF Iowa ESPCoR, Iowa Energy Center [11-02] FX The authors gratefully acknowledge the NSF Process and Reaction Engineering (CBET-1438042), NSF Energy for Sustainability (CBET-1133319), and NSF Iowa ESPCoR, Iowa Energy Center (#11-02) for the financial support of this project. NR 253 TC 9 Z9 9 U1 12 U2 54 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0734-9750 EI 1873-1899 J9 BIOTECHNOL ADV JI Biotechnol. Adv. PD DEC PY 2015 VL 33 IS 8 BP 1799 EP 1813 DI 10.1016/j.biotechadv.2015.10.006 PG 15 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA CZ3SJ UT WOS:000367024000019 PM 26492814 ER PT J AU Zhang, B Gao, MC Zhang, Y Guo, SM AF Zhang, B. Gao, M. C. Zhang, Y. Guo, S. M. TI Senary refractory high-entropy alloy CrxMoNbTaVW SO CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY LA English DT Article DE Alloy design; High entropy alloy; CALPHAD; Microstructure; Phase diagram ID WEAR-RESISTANCE; DESIGN AB This paper demonstrates that a senary refractory high-entropy alloy CrxMoNbTaVW can be tailored over a certain range of Cr content with the BCC structure for different microstructures and physical properties, assisted by CALPHAD simulations. Microstructure characterizations are performed using X-ray diffraction and scanning electron microscopy. Chemical micro-segregation during solidification predicted using the Scheil model generally agrees with the experimental results. The lattice constant, density, and Vickers' micro-hardness of the high-entropy alloy samples in the as-cast state are measured and discussed. For CrxMoNbTaVW, x=2.0 case appears exceeding the upper limit of maintaining a single BCC phase HEA, determined by the XRD patterns. The elemental dependence of the mixing thermodynamic properties (entropy, enthalpy and Gibbs energy) in BCC phase in the senary system is analyzed. The calculated entropy of mixing and enthalpy of mixing for CrMoNbTaVW are 14.7 J/K/mol and -662.5 J/mol respectively. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Zhang, B.; Zhang, Y.; Guo, S. M.] Louisiana State Univ, Baton Rouge, LA 70803 USA. [Gao, M. C.] Natl Energy Technol Lab, Albany, OR 97321 USA. [Gao, M. C.] AECOM, Albany, OR 97321 USA. RP Guo, SM (reprint author), Louisiana State Univ, Dept Mech & Ind Engn, Baton Rouge, LA 70803 USA. EM sguo2@lsu.edu FU NSF EPSCoR CIMM project [OIA-1541079]; US Department of Energy National Energy Technology Laboratory (NETL) [DE-FE0004734, DE-FE0011550, DE-FE0008382, DE-FE0007220]; Louisiana State University Economic Development Assistantship; Cross-Cutting Technologies Program of NETL under RES [DE-FE-0004000] FX This publication is based upon work supported by the NSF EPSCoR CIMM project under award #OIA-1541079, and the US Department of Energy National Energy Technology Laboratory (NETL) under Award numbers DE-FE0004734, DE-FE0011550, DE-FE0008382, and DE-FE0007220, Louisiana State University Economic Development Assistantship, and the Cross-Cutting Technologies Program of NETL under the RES contract DE-FE-0004000. NR 22 TC 8 Z9 8 U1 8 U2 28 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0364-5916 EI 1873-2984 J9 CALPHAD JI Calphad-Comput. Coupling Ph. Diagrams Thermochem. PD DEC PY 2015 VL 51 BP 193 EP 201 DI 10.1016/j.calphad.2015.09.007 PG 9 WC Thermodynamics; Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Thermodynamics; Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA CZ0JG UT WOS:000366790500019 ER PT J AU An, W Xu, F Stacchiola, D Liu, P AF An, Wei Xu, Fang Stacchiola, Dario Liu, Ping TI Potassium-Induced Effect on the Structure and Chemical Activity of the CuxO/Cu(111) (x <= 2) Surface: A Combined Scanning Tunneling Microscopy and Density Functional Theory Study SO CHEMCATCHEM LA English DT Article DE copper; density functional calculations; electronic structure; potassium; scanning probe microscopy ID OXYGEN-INDUCED RECONSTRUCTIONS; GAS SHIFT REACTION; AU-C INTERACTIONS; METHANOL SYNTHESIS; CO2 HYDROGENATION; CATALYTIC PROMOTION; CHARGE POLARIZATION; ALKALI PROMOTION; CARBON-MONOXIDE; ADSORPTION AB Potassium (K) plays an essential role to promote catalytic reactions in many established industrial catalytic processes. Here, we report a combined study using STM and DFT to understand the effect of the deposition of K on the atomic and electronic structures as well as chemical activities of CuxO/Cu(111) (x <= 2). The DFT calculations show a pseudomorphic growth of K on CuxO/Cu(111) up to 0.19 monolayer (ML) of coverage, in which K binds the surface by a strong ionic interaction with chemisorbed oxygen and relatively weak electrostatic interactions with Cu ions, the lower and upper oxygen atoms on the CuxO rings. The simulated STM pattern based on the DFT results agrees well with the experimental observations. The deposited K has a great impact on the surface electronic structure of u(x)O/Cu(111), which induces a significant reduction in the work function and leads to a strong electron polarization on the surface. The promotion of K on the surface binding properties is selective and varies depending on the nature of the adsorbates. According to our results, K has little effect on surface acidity but it enhances the surface basicity significantly. Consequently, the presence of K does not help CO adsorption on CuxO/Cu(111) but is able to accelerate the activation of CO2. Such a promotion depends strongly on the combinations from both geometric and electronic effects. Our results highlight the origin of the promoting effect of alkali metals in the design of catalysts for complex reactions. C1 [An, Wei; Stacchiola, Dario; Liu, Ping] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [An, Wei] Shanghai Univ Engn Sci, Coll Chem & Chem Engn, Shanghai 201620, Peoples R China. [Xu, Fang] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. RP Liu, P (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. EM pingliu3@bnl.gov RI Stacchiola, Dario/B-1918-2009 OI Stacchiola, Dario/0000-0001-5494-3205 FU US Department of Energy, Division of Chemical Sciences [DE-SC0012704]; Office of Science of the US Department of Energy [DE-AC02-05CH11231] FX The research was carried out at Brookhaven National Laboratory (BNL) under contract DE-SC0012704 with the US Department of Energy, Division of Chemical Sciences. The DFT calculations were performed using computational resources at the Center for Functional Nanomaterials, a US DOE user facility at BNL, the New York Center for Computational Sciences at BNL, and the National Energy Research Scientific Computing Center (NERSC) supported by the Office of Science of the US Department of Energy under Contract No. DE-AC02-05CH11231. NR 77 TC 4 Z9 4 U1 14 U2 35 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1867-3880 EI 1867-3899 J9 CHEMCATCHEM JI ChemCatChem PD DEC 1 PY 2015 VL 7 IS 23 BP 3865 EP 3872 DI 10.1002/cctc.201500719 PG 8 WC Chemistry, Physical SC Chemistry GA CZ1AC UT WOS:000366837000010 ER PT J AU Jiang, S Pan, AW Lin, TY Zhang, HY Malfatti, M Turteltaub, K Henderson, PT Pan, CX AF Jiang, Shuai Pan, Amy W. Lin, Tzu-yin Zhang, Hongyong Malfatti, Michael Turteltaub, Kenneth Henderson, Paul T. Pan, Chong-xian TI Paclitaxel Enhances Carboplatin-DNA Adduct Formation and Cytotoxicity SO CHEMICAL RESEARCH IN TOXICOLOGY LA English DT Article ID MASS-SPECTROMETRY; DRUG-COMBINATION; CANCER-PATIENTS; CELL-CYCLE; QUANTIFICATION; TAXOL; CISPLATIN AB This rapid report focuses on the pharmacodynamic mechanism of the carboplatin/paclitaxel. combination and correlates it with its cytotoxicity. Consistent with the synergistic to additive antitumor activity (the combination index ranging from 0.53 to 0.94), cells exposed to this combination had significantly increased carboplatin-DNA adduct formation when compared to that of carboplatin alone (450 +/- 30 versus 320 +/- 120 adducts per 10(8) nucleotides at 2 h, p = 0004). Removal of paclitaxel increased the repair of carboplatin-DNA adducts: 39.4 versus 33.1 adducts per 10(8) nucleotides per hour in carboplatin alone (p = 0.021). This rapid report provides the first pharmacodynamics data to support the use of carboplatin/paclitaxel combination in the clinic. C1 [Jiang, Shuai; Pan, Amy W.; Lin, Tzu-yin; Zhang, Hongyong; Henderson, Paul T.; Pan, Chong-xian] Univ Calif Davis, Dept Internal Med, Div Hematol & Oncol, Sacramento, CA 95817 USA. [Malfatti, Michael; Turteltaub, Kenneth] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Pan, Chong-xian] Univ Calif Davis, Dept Urol, Sacramento, CA 95817 USA. [Pan, Chong-xian] VA Northern Calif Hlth Care Syst, Hematol & Oncol, Mather, CA 95655 USA. RP Henderson, PT (reprint author), Univ Calif Davis, Dept Internal Med, Div Hematol & Oncol, 4501 X St,Room 3016, Sacramento, CA 95817 USA. EM henderson48@gmail.com; cxpan@ucdavis.edu FU VA Career Development Award-2; VA Merit [1I01BX001784]; NCI Cancer Center Support Grant [P30 CA 093373]; Research Resource for Biomedical AMS at Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; National Institute of General Medical Sciences [P41 GM103483-15] FX This study was supported by the VA Career Development Award-2 (PI: Pan), VA Merit (PI: Pan; grant # 1I01BX001784), the NCI Cancer Center Support Grant (PI: de Vere White; P30 CA 093373), and the Research Resource for Biomedical AMS at Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344 and supported by the National Institute of General Medical Sciences (PI; Turteltaub; P41 GM103483-15). NR 18 TC 2 Z9 2 U1 1 U2 9 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 DEC PY 2015 VL 28 IS 12 BP 2250 EP 2252 DI 10.1021/acs.chemrestox.5b00422 PG 3 WC Chemistry, Medicinal; Chemistry, Multidisciplinary; Toxicology SC Pharmacology & Pharmacy; Chemistry; Toxicology GA CZ5BT UT WOS:000367118000002 PM 26544157 ER PT J AU Bogart, JA Lippincott, CA Carroll, PJ Booth, CH Schelter, EJ AF Bogart, Justin A. Lippincott, Connor A. Carroll, Patrick J. Booth, Corwin H. Schelter, Eric J. TI Controlled Redox Chemistry at Cerium within a Tripodal Nitroxide Ligand Framework SO CHEMISTRY-A EUROPEAN JOURNAL LA English DT Article DE cerium; density functional calculations; electrochemistry; nitroxides; redox chemistry ID DENSITY-FUNCTIONAL THEORY; RARE-EARTH-ELEMENTS; TETRAVALENT CERIUM; AMMONIUM-NITRATE; WATER OXIDATION; BASIS-SETS; COMPLEXES; LANTHANIDE; REACTIVITY; STABILIZATION AB Ligand reorganization has been shown to have a profound effect on the outcome of cerium redox chemistry. Through the use of a tethered, tripodal, trianionic nitroxide ligand, [((2-tBuNOH) C6H4CH2) 3N](3-) (TriNO(x)(3-)), controlled redox chemistry at cerium was accomplished, and typically reactive complexes of tetravalent cerium were isolated. These included rare cationic complexes [Ce(TriNO(x))thf] [BAr4F], in which Ar-F = 3,5-(CF3)(2)-C6H3, and [Ce(TriNO(x))py]OTf]. A rare complete Ce-halide series, Ce(TriNO(x))X, in which X= F-, Cl-, Br-, I-, was also synthesized. The solution chemistry of these complexes was explored through detailed solution-phase electrochemistry and H-1 NMR experiments and showed a unique shift in the ratio of species with inner- and outer-sphere anions with size of the anionic X- group. DFT calculations on the series of calculations corroborated the experimental findings. C1 [Bogart, Justin A.; Lippincott, Connor A.; Carroll, Patrick J.; Schelter, Eric J.] Univ Penn, Dept Chem, P Roy & Diana T Vagelos Labs, Philadelphia, PA 19104 USA. [Booth, Corwin H.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Schelter, EJ (reprint author), Univ Penn, Dept Chem, P Roy & Diana T Vagelos Labs, 231 S 34th St, Philadelphia, PA 19104 USA. EM schelter@sas.upenn.edu FU U.S. Department of Energy, Office of Science, Early Career Research Program [DE-SC0006518]; Research Corporation for Science Advancement; University of Pennsylvania; National Science Foundation [ACI-1053575]; Office of Science (OS), Office of Basic Energy Sciences, of the U.S. Department of Energy (DOE) [DE-AC-02-05CH11231] FX E.J.S. acknowledges the U.S. Department of Energy, Office of Science, Early Career Research Program (Grant DE-SC0006518), the Research Corporation for Science Advancement (Cottrell Scholar Award to E.J.S.), and the University of Pennsylvania for financial support of this work. This work used the Extreme Science and Engineering Discovery Environment (XSEDE), which is supported by the National Science Foundation Grant ACI-1053575. Portions of this work were supported by the Director, Office of Science (OS), Office of Basic Energy Sciences, of the U.S. Department of Energy (DOE) under Contract No. DE-AC-02-05CH11231 and were carried out at SSRL, a Directorate of SLAC National Accelerator Laboratory and an OS user facility operated for the DOE OS by Stanford University. NR 66 TC 6 Z9 6 U1 7 U2 21 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 0947-6539 EI 1521-3765 J9 CHEM-EUR J JI Chem.-Eur. J. PD DEC 1 PY 2015 VL 21 IS 49 BP 17850 EP 17859 DI 10.1002/chem.201502952 PG 10 WC Chemistry, Multidisciplinary SC Chemistry GA CZ6BI UT WOS:000367185700041 PM 26503580 ER PT J AU Pei, YJ Som, S Pomraning, E Senecal, PK Skeen, SA Manin, J Pickett, LM AF Pei, Yuanjiang Som, Sibendu Pomraning, Eric Senecal, Peter K. Skeen, Scott A. Manin, Julien Pickett, Lyle M. TI Large eddy simulation of a reacting spray flame with multiple realizations under compression ignition engine conditions SO COMBUSTION AND FLAME LA English DT Article DE Spray A; Large eddy simulation; Engine Combustion Network; Diesel; Ignition; n-Dodecane ID TURBULENCE-CHEMISTRY INTERACTION; COMBUSTION CHARACTERISTICS; DIESEL COMBUSTION; SOOT FORMATION; MODEL AB An n-dodecane spray flame (Spray A from Engine Combustion Network) was simulated using a 3 function combustion model along with a dynamic structure large eddy simulation (LES) model to evaluate its performance at engine-relevant conditions and to understand the transient behavior of this turbulent flame. The liquid spray was treated with a traditional Lagrangian method and the gas-phase reaction was modeled using a 8 function combustion model. A 103-species skeletal mechanism was used for the n-dodecane chemical kinetic model. Significantly different flame structures and ignition processes are observed for the LES compared to those of Reynolds-averaged Navier-Stokes (RANS) predictions. The LES data suggests that the first ignition initiates in a lean mixture and propagates to a rich mixture, and the main ignition happens in the rich mixture, preferably less than 0.14 in mixture fraction space. LES was observed to have multiple ignition spots in the mixing layer simultaneously while the main ignition initiates in a clearly asymmetric fashion. The temporal flame development also indicates the flame stabilization mechanism is auto-ignition controlled. Soot predictions by LES present much better agreement with experiments compared to RANS, both qualitatively and quantitatively. Multiple realizations for LES were performed to understand the realization to realization variation and to establish best practices for ensemble-averaging diesel spray flames. The relevance index analysis suggests that an average of 5 and 6 realizations can reach 99% of similarity to the target average of 16 realizations on the mixture fraction and temperature fields, respectively. However, more realizations are necessary for the hydroxide (OH) and soot mass fractions due to their high fluctuations. (C) 2015 The Combustion Institute. Published by Elsevier Inc. All rights reserved. C1 [Pei, Yuanjiang; Som, Sibendu] Argonne Natl Lab, Transportat Technol Res & Dev Ctr, Argonne, IL 60439 USA. [Pomraning, Eric; Senecal, Peter K.] Convergent Sci Inc, Madison, WI 53719 USA. [Skeen, Scott A.; Manin, Julien; Pickett, Lyle M.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94550 USA. RP Pei, YJ (reprint author), Argonne Natl Lab, Transportat Technol Res & Dev Ctr, Argonne, IL 60439 USA. EM ypei@anl.gov FU U.S. Department of Energy Office of Science laboratory [DE-AC02-06CH11357]; U.S. DOE Office of Vehicle Technologies, Office of Energy Efficiency and Renewable Energy [DE-AC02-06CH11357] FX The submitted manuscript has been created by UChicago Argonne, LLC, Operator of Argonne National Laboratory (Argonne). Argonne, a U.S. Department of Energy Office of Science laboratory, is operated under Contract No. DE-AC02-06CH11357. The U.S. Government retains for itself, and others acting on its behalf, a paid-up nonexclusive, irrevocable worldwide license in said article to reproduce, prepare derivative works, distribute copies to the public, and perform publicly and display publicly, by or on behalf of the Government.; This research was funded by U.S. DOE Office of Vehicle Technologies, Office of Energy Efficiency and Renewable Energy under Contract No. DE-AC02-06CH11357. The authors wish to thank Gurpreet Singh and Leo Breton, program managers at U.S. DOE, for their support. NR 57 TC 9 Z9 9 U1 6 U2 14 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0010-2180 EI 1556-2921 J9 COMBUST FLAME JI Combust. Flame PD DEC PY 2015 VL 162 IS 12 BP 4442 EP 4455 DI 10.1016/j.combustflame.2015.08.010 PG 14 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA CZ6KY UT WOS:000367211400005 ER PT J AU Luketa, A Blanchat, T AF Luketa, Anay Blanchat, Thomas TI The phoenix series large-scale methane gas burner experiments and liquid methane pool fires experiments on water SO COMBUSTION AND FLAME LA English DT Article DE LNG; Methane; Gas burner; Pool fire; Heat flux; Flame height ID LAMINAR DIFFUSION FLAMES; 1 ATM; STEAM; STABILITY; HYDRATE AB This paper summarizes a series of large-scale outdoor and indoor LNG pool fire experiments conducted at Sandia National Laboratories in Albuquerque, New Mexico. Two outdoor LNG spills on water with resulting pool fires of 21 m and 56 m in diameter were conducted to improve hazard predictions by obtaining measurements of flame height, smoke production, and burn rate. The experimental data indicates that LNG pool fires on water display different behavior than those on land by producing less smoke. Surface emissive powers of up to 286 kW/m(2), flames heights of up to 146 m, and burn rates of about 0.147 kg/m(2) s were measured. Discussion is provided on the observed behavior of the two outdoor tests with regards to smoke production, wind effects, and hydrate production. The large-scale indoor experiments used a 3-m diameter gas burner with methane fuel to assess flame height to fire diameter ratios as a function of non-dimensional heat release rates for extrapolation to large-scale LNG fires. A flame height correlation was developed from this data. (C) 2015 The Combustion Institute. Published by Elsevier Inc. All rights reserved. C1 [Luketa, Anay; Blanchat, Thomas] Sandia Natl Labs, Fire Sci & Technol Dept, Albuquerque, NM 87185 USA. RP Luketa, A (reprint author), Sandia Natl Labs, Fire Sci & Technol Dept, POB 5800,MS-1132, Albuquerque, NM 87185 USA. EM aluketa@sandia.gov; tkblanc@sandia.gov FU United Stated Department of Energy [DE-AC04-94AL85000] FX Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United Stated Department of Energy under Contract DE-AC04-94AL85000. NR 37 TC 1 Z9 1 U1 2 U2 3 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0010-2180 EI 1556-2921 J9 COMBUST FLAME JI Combust. Flame PD DEC PY 2015 VL 162 IS 12 BP 4497 EP 4513 DI 10.1016/j.combustflame.2015.08.025 PG 17 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA CZ6KY UT WOS:000367211400010 ER PT J AU Amato, A Day, M Cheng, RK Bell, J Dasgupta, D Lieuwen, T AF Amato, Alberto Day, Marcus Cheng, Robert K. Bell, John Dasgupta, Debolina Lieuwen, Tim TI Topology and burning rates of turbulent, lean, H-2/air flames SO COMBUSTION AND FLAME LA English DT Article DE Premixed flames; Turbulent combustion; Leading points; Flame stretch ID DIRECT NUMERICAL-SIMULATION; METHANE-AIR FLAMES; REACTION ZONES REGIME; LEWIS NUMBER; PREMIXED FLAMES; STRAIN-RATE; SURFACE-DENSITY; REACTION CLOSURE; COMBUSTION; LAMINAR AB Improved understanding of turbulent flames characterized by negative consumption speed-based Markstein lengths is necessary to develop better models for turbulent lean combustion of high hydrogen content fuels. In this paper we investigate the topology and burning rates of turbulent, lean (phi = 0.31), H-2/air flames obtained from a recently published DNS database (Aspden et al., 2011). We calculate local flame front curvatures, strain rates, thicknesses, and burning velocities and compare these values to reference quantities obtained from stretched laminar flames computed numerically in three model geometrical configurations a counterflow twin flame, a tubular counterflow flame and an expanding cylindrical flame. We compare and contrast the DNS with these model laminar flame calculations, and show both where they closely correlate with each other, as well as where they do not. These results in the latter case are shown to result from non-flamelet behaviors, unsteady effects, and curvature-strain correlations. These insights are derived from comparisons conditioned on different topological features, such as portions of the flame front with a spherical/cylindrical shape, the leading edge of the flame, and portions of the flame front with low mean curvature. We also show that reference time scales vary appreciably over the flame, and characterizing the relative values of fluid mechanic and kinetic time scales by a single value leads to erroneous conclusions. For example, there is a two order of magnitude decrease in chemical time scales at the leading edge of the front relative to its unstretched value. For this reason, the leading edge of the front quite closely tracks quasi-steady calculations, even in the lowest Damkohler number case, Da(F)similar to 0.005. (C) 2015 The Combustion Institute. Published by Elsevier Inc. All rights reserved. C1 [Amato, Alberto; Dasgupta, Debolina; Lieuwen, Tim] Georgia Inst Technol, Sch Aerosp & Mech Engn, Atlanta, GA 30332 USA. [Day, Marcus; Bell, John] Lawrence Berkeley Natl Lab, Ctr Computat Sci & Engn, Berkeley, CA 94720 USA. [Cheng, Robert K.] Lawrence Berkeley Natl Lab, Environm & Energy Technol, Berkeley, CA 94720 USA. RP Lieuwen, T (reprint author), Georgia Inst Technol, Sch Aerosp Engn, 270 Ferst Dr,Montgomery Knight Bldg 0150, Atlanta, GA 30332 USA. EM tim.lieuwen@energy.gatech.edu FU University Turbine Systems Research program [DE-FC21-92MC29061]; Air Force Office of Scientific Research [FA9550-12-1-0107/RC657] FX This research was supported by the University Turbine Systems Research (contract #DE-FC21-92MC29061) program and the Air Force Office of Scientific Research (contract #FA9550-12-1-0107/RC657), contract monitors are Dr. Mark Freeman and Dr. Chiping Li, respectively. The authors gratefully acknowledge the help of Prof. C.J. Sung in making available the modified OPPDIF code used to simulate the counterflow tubular flame geometry. NR 58 TC 3 Z9 3 U1 2 U2 11 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0010-2180 EI 1556-2921 J9 COMBUST FLAME JI Combust. Flame PD DEC PY 2015 VL 162 IS 12 BP 4553 EP 4565 DI 10.1016/j.combustflame.2015.09.010 PG 13 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA CZ6KY UT WOS:000367211400014 ER PT J AU Bak, HS Lee, SR Chen, JH Yoo, CS AF Bak, Hyun Su Lee, Su Ryong Chen, Jacqueline H. Yoo, Chun Sang TI A numerical study of the diffusive-thermal instability of opposed nonpremixed tubular flames SO COMBUSTION AND FLAME LA English DT Article DE Diffusive-thermal instability; Nonpremixed tubular flame; Hydrogen; Linear stability analysis; Displacement speed ID EDGE-FLAMES; LEWIS NUMBERS; HEATED COFLOW; JET FLAME; HYDROGEN; DNS; IGNITION; AIR; STABILIZATION; COUNTERFLOW AB The diffusive-thermal (D-T) instability of opposed nonpremixed tubular flames near extinction is investigated using two-dimensional (2-D) direct numerical simulations together with the linear stability analysis. Two different initial conditions (IC), i.e. the perturbed IC and the C-shaped IC are adopted to elucidate the effects of small and large amplitude disturbances on the formation of flame cells, similar to conditions found in linear stability analysis and experiments, respectively. The characteristics of the D-T instability of tubular flames are identified by a critical Damkohler number, Da(C), at which the D-T instability first occurs and the corresponding number of flame cells for three different tubular flames with different flame radii. It is found that Da(C) predicted through linear stability analysis shows good agreement with that obtained from the 2-D simulations performed with two different ICs. The flame cell number, N-cell, from the 2-D simulations with the perturbed IC is also found to be equal to an integer close to the maximum wavenumber, k(max), obtained from the linear stability analysis. However, N-cell from the 2-D simulations with the C-shaped IC is smaller than k(max) and N-cell found from the simulations with the perturbed IC. This is primarily because the strong reaction at the edges of the horseshoe-shaped cellular flame developed from the C-shaped IC is more likely to produce larger flame cells and reduce N-cell. It is also found that for cases with the C-shaped IC, once the cellular instability occurs, the number of flame cells remains constant until global extinction occurs by incomplete reaction manifested by small Da. It is also verified through the displacement speed, S-d, analysis that the two edges of the horseshoe-shaped cellular flame are stationary and therefore do not merge due to the diffusionreaction balance at the edges. Moreover, large negative S-d is observed at the local extinction points while small positive or negative S-d features in the movement of flame cells as they adjust their location and size towards steady state. (C) 2015 The Combustion Institute. Published by Elsevier Inc. All rights reserved. C1 [Bak, Hyun Su; Yoo, Chun Sang] Ulsan Natl Inst Sci & Technol, Dept Mech Engn, Ulsan 689798, South Korea. [Lee, Su Ryong] Seoul Natl Univ Sci & Technol, Dept Mech & Automot Engn, Seoul 139743, South Korea. [Chen, Jacqueline H.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. [Yoo, Chun Sang] Ulsan Natl Inst Sci & Technol, Sch Mech & Nucl Engn, Ulsan 689798, South Korea. RP Yoo, CS (reprint author), Ulsan Natl Inst Sci & Technol, Dept Mech Engn, Ulsan 689798, South Korea. EM csyoo@unist.ac.kr RI Yoo, Chun Sang/E-5900-2010 OI Yoo, Chun Sang/0000-0003-1094-4016 FU Space Core Technology Development Program through National Research Foundation of Korea - Ministry of Science, ICT and Future Planning [2015M1A3A3A02027319]; Basic Science Research Program through National Research Foundation of Korea - Ministry of Science, ICT and Future Planning [2015R1A2A2A01007378]; US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences; United States Department of Energy [DE-AC04-94AL85000] FX This work was supported by the Space Core Technology Development Program (No. 2015M1A3A3A02027319) and Basic Science Research Program (No. 2015R1A2A2A01007378) through the National Research Foundation of Korea grant funded by the Ministry of Science, ICT and Future Planning. The work at Sandia National Laboratories was sponsored by the US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. 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. This research used the resources of the UNIST Supercomputing Center. NR 35 TC 0 Z9 0 U1 1 U2 9 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0010-2180 EI 1556-2921 J9 COMBUST FLAME JI Combust. Flame PD DEC PY 2015 VL 162 IS 12 BP 4612 EP 4621 DI 10.1016/j.combustflame.2015.09.019 PG 10 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA CZ6KY UT WOS:000367211400018 ER PT J AU Yang, ZQ Wang, TP AF Yang, Zhaoqing Wang, Taiping TI Responses of estuarine circulation and salinity to the loss of intertidal flats - A modeling study SO CONTINENTAL SHELF RESEARCH LA English DT Article DE Intertidal flats; Salinity intrusion; Stratification; Estuarine circulation; Numerical modeling; Anthropogenic impact ID SEA-LEVEL RISE; COORDINATE OCEAN MODELS; GULF-OF-MEXICO; TIDAL FLATS; RIVER ESTUARY; DAM REMOVAL; STORM-SURGE; ELWHA RIVER; COASTAL; BAY AB Intertidal flats in estuaries are coastal wetlands that provide critical marine habitats to support wide ranges of marine species. Over the last century many estuarine systems have experienced significant loss of intertidal flats due to anthropogenic impacts. This paper presents a modeling study conducted to investigate the responses of estuarine hydrodynamics to the loss of intertidal flats in Whidbey Basin of Puget Sound on the northwest coast of North America. Changes in salinity intrusion limits in the estuaries, salinity stratification, and circulation in intertidal flats and estuaries were evaluated by comparing model results under the existing baseline condition and the no-flat condition. Model results showed that loss of intertidal flats results in an increase in salinity intrusion, stronger mixing, and a phase shift in salinity and velocity fields in the bay front areas. Model results also indicated that loss of intertidal flats enhances two-layer circulation, especially the bottom water intrusion. Loss of intertidal flats increases the mean salinity but reduces the salinity range in the subtidal flats over a tidal cycle because of increased mixing. Salinity intrusion limits extend upstream in all three major rivers discharging into Whidbey Basin when no intertidal flats are present. Changes in salinity intrusion and estuarine circulation patterns due to loss of intertidal flats affect the nearshore habitat and water quality in estuaries and potentially increase risk of coastal hazards, such as storm surge and coastal flooding. Lastly, model results suggested the importance of including intertidal flats and the wetting-and-drying process in hydrodynamic simulations when intertidal flats are present in the model domain. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Yang, Zhaoqing; Wang, Taiping] 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. EM zhaoqing.yang@pnnl.gov; taiping.wang@pnnl.gov NR 75 TC 1 Z9 1 U1 10 U2 18 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0278-4343 EI 1873-6955 J9 CONT SHELF RES JI Cont. Shelf Res. PD DEC 1 PY 2015 VL 111 SI SI BP 159 EP 173 DI 10.1016/j.csr.2015.08.011 PN B PG 15 WC Oceanography SC Oceanography GA CZ5CD UT WOS:000367119100006 ER PT J AU Henard, CA Freed, EF Guarnieri, MT AF Henard, Calvin Andrew Freed, Emily Frances Guarnieri, Michael Thomas TI Phosphoketolase pathway engineering for carbon-efficient biocatalysis SO CURRENT OPINION IN BIOTECHNOLOGY LA English DT Review ID 2-COMPONENT RESPONSE REGULATORS; SACCHAROMYCES-CEREVISIAE; ACETYL PHOSPHATE; ESCHERICHIA-COLI; LIQUID FUELS; METABOLISM; ACTIVATION; EXPRESSION; METHANE; ENZYME AB Recent advances in metabolic engineering have facilitated the development of microbial biocatalysts capable of producing an array of bio-products, ranging from fuels to drug molecules. These bio-products are commonly generated through an acetyl-CoA intermediate, which serves as a key precursor in the biological conversion of carbon substrates. Conventional biocatalytic upgrading strategies proceeding through this route are limited by low carbon efficiencies, in large part due to carbon losses associated with pyruvate decarboxylation to acetyl-CoA. Bypass of pyruvate decarboxylation offers a means to dramatically enhance carbon yields and, in turn, bioprocess economics. Herein, we discuss recent advances and prospects for employing the phosphoketolase pathway for direct biosynthesis of acetyl-CoA from carbon substrates, and phosphoketolase-based metabolic engineering strategies for carbon efficient biocatalysis. C1 [Henard, Calvin Andrew; Freed, Emily Frances; Guarnieri, Michael Thomas] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA. RP Guarnieri, MT (reprint author), Natl Renewable Energy Lab, Natl Bioenergy Ctr, 15013 Denver West Pkwy, Golden, CO 80401 USA. EM Michael.Guarnieri@nrel.gov FU Office of Energy Efficiency and Renewable Energy, United States Department of Energy; Bioenergy Technologies Office, WBS, United States Department of Energy [2.3.2.102]; Office of Science, Office of Biological & Environmental Research, United States Department of Energy [DE-SC-0012658]; Office of Science FX Work in our lab is supported by the Office of Energy Efficiency and Renewable Energy, Bioenergy Technologies Office, WBS # 2.3.2.102, and Office of Science, Office of Biological & Environmental Research under Award Number DE-SC-0012658, United States Department of Energy and Office of Science. NR 37 TC 3 Z9 3 U1 0 U2 7 PU CURRENT BIOLOGY LTD PI LONDON PA 84 THEOBALDS RD, LONDON WC1X 8RR, ENGLAND SN 0958-1669 EI 1879-0429 J9 CURR OPIN BIOTECH JI Curr. Opin. Biotechnol. PD DEC PY 2015 VL 36 BP 183 EP 188 DI 10.1016/j.copbio.2015.08.018 PG 6 WC Biochemical Research Methods; Biotechnology & Applied Microbiology SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology GA CZ5BI UT WOS:000367116700024 PM 26360872 ER PT J AU Bugg, TDH Resch, MG AF Bugg, Timothy D. H. Resch, Michael G. TI Editorial overview: Energy: Prospects for fuels and chemicals from a biomass-based biorefinery using post-genomic chemical biology tools SO CURRENT OPINION IN CHEMICAL BIOLOGY LA English DT Editorial Material C1 [Bugg, Timothy D. H.] Univ Warwick, Dept Chem, Coventry CV4 7AL, W Midlands, England. [Resch, Michael G.] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO USA. RP Bugg, TDH (reprint author), Univ Warwick, Dept Chem, Coventry CV4 7AL, W Midlands, England. EM T.D.Bugg@warwick.ac.uk; Michael.Resch@nrel.gov NR 0 TC 0 Z9 0 U1 1 U2 4 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1367-5931 EI 1879-0402 J9 CURR OPIN CHEM BIOL JI Curr. Opin. Chem. Biol. PD DEC PY 2015 VL 29 BP V EP VII DI 10.1016/j.cbpa.2015.10.031 PG 3 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA CZ5BP UT WOS:000367117500001 PM 26574194 ER PT J AU d'Espaux, L Mendez-Perez, D Li, R Keasling, JD AF d'Espaux, Leo Mendez-Perez, Daniel Li, Rachel Keasling, Jay D. TI Synthetic biology for microbial production of lipid-based biofuels SO CURRENT OPINION IN CHEMICAL BIOLOGY LA English DT Review ID ACID-DERIVED FUELS; SACCHAROMYCES-CEREVISIAE; ESCHERICHIA-COLI; FATTY-ACIDS; E. COLI; BIODIESEL PRODUCTION; CHAIN ALKANES; BIOSYNTHESIS; EXPRESSION; CHEMICALS AB The risks of maintaining current CO2 emission trends have led to interest in producing biofuels using engineered microbes. Microbial biofuels reduce emissions because CO2 produced by fuel combustion is offset by CO2 captured by growing biomass, which is later used as feedstock for biofuel fermentation. Hydrocarbons found in petroleum fuels share striking similarity with biological lipids. Here we review synthetic metabolic pathways based on fatty acid and isoprenoid metabolism to produce alkanes and other molecules suitable as biofuels. We further discuss engineering strategies to optimize engineered biosynthetic routes, as well as the potential of synthetic biology for sustainable manufacturing. C1 [d'Espaux, Leo; Mendez-Perez, Daniel; Li, Rachel; Keasling, Jay D.] Lawrence Berkeley Natl Lab, Joint BioEnergy Inst, Emeryville, CA 94608 USA. [Li, Rachel; Keasling, Jay D.] Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94270 USA. [Keasling, Jay D.] Univ Calif Berkeley, Dept Bioengn, Inst QB3, Berkeley, CA 94270 USA. [Keasling, Jay D.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Inst QB3, Berkeley, CA 94270 USA. RP Keasling, JD (reprint author), Lawrence Berkeley Natl Lab, Joint BioEnergy Inst, Emeryville, CA 94608 USA. EM jdkeasling@lbl.gov FU Joint BioEnergy Institute (JBEI) - U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research [DE-AC02-05CH11231]; National Science Foundation [MCB-1341894] FX We thank Nicholas Clements, Victor Chubukov, and Maren Wehrs for suggestions while preparing this manuscript. This work was funded by the Joint BioEnergy Institute (JBEI), which is funded by the U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research, under Contract DE-AC02-05CH11231, and by the National Science Foundation under award MCB-1341894. NR 71 TC 7 Z9 7 U1 12 U2 54 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1367-5931 EI 1879-0402 J9 CURR OPIN CHEM BIOL JI Curr. Opin. Chem. Biol. PD DEC PY 2015 VL 29 BP 58 EP 65 DI 10.1016/j.cbpa.2015.09.009 PG 8 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA CZ5BP UT WOS:000367117500010 PM 26479184 ER PT J AU Donohoe, BS Resch, MG AF Donohoe, Bryon S. Resch, Michael G. TI Mechanisms employed by cellulase systems to gain access through the complex architecture of lignocellulosic substrates SO CURRENT OPINION IN CHEMICAL BIOLOGY LA English DT Review ID CARBOHYDRATE-BINDING MODULE; ENZYMATIC-HYDROLYSIS; THERMOCHEMICAL PRETREATMENT; FUNGAL CELLULASES; LIGNIN; DEGRADATION; ENZYMES; BIOMASS; SACCHARIFICATION; ADSORPTION AB To improve the deconstruction of biomass, the most abundant terrestrial source of carbon polymers, en route to renewable fuels, chemicals, and materials more knowledge is needed into the mechanistic interplay between thermochemical pretreatment and enzymatic hydrolysis. In this review we highlight recent progress in advanced imaging techniques that have been used to elucidate the effects of thermochemical pretreatment on plant cell walls across a range of spatial scales and the relationship between the substrate structure and the function of various glycoside hydrolase components. The details of substrate and enzyme interactions are not yet fully understood and the challenges of characterizing plant cell wall architecture, how it dictates recalcitrance, and how it relates to enzyme-substrate interactions is the focus for many research groups in the field. Better understanding of how to match pretreatments with improved enzyme mixtures will lead to lower costs for industrial biorefining. C1 [Donohoe, Bryon S.] Natl Renewable Energy Lab, Biosci Ctr, Golden, CO 80401 USA. [Resch, Michael G.] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA. RP Donohoe, BS (reprint author), Natl Renewable Energy Lab, Biosci Ctr, 15013 Denver West Pkwy, Golden, CO 80401 USA. EM bryon.donohoe@nrel.gov FU U.S. Department of Energy (DOE) Office of Science, Office of Biological and Environmental Research through the BioEnergy Science Center (BESC), a DOE Bioenergy Research Center; DOE Office of Energy Efficiency and Renewable Energy, Bioenergy Technologies Office [DE-AC36-08GO28308DOE]; National Renewable Energy Laboratory FX The authors acknowledge funding support from the U.S. Department of Energy (DOE) Office of Science, Office of Biological and Environmental Research through the BioEnergy Science Center (BESC), a DOE Bioenergy Research Center and the DOE Office of Energy Efficiency and Renewable Energy, Bioenergy Technologies Office under Contract No. DE-AC36-08GO28308DOE with the National Renewable Energy Laboratory. The authors also thank Peter Ciesielski for cell wall micrographs and Yannick Bomb le for enzyme models used in the figures. NR 54 TC 5 Z9 6 U1 8 U2 43 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1367-5931 EI 1879-0402 J9 CURR OPIN CHEM BIOL JI Curr. Opin. Chem. Biol. PD DEC PY 2015 VL 29 BP 100 EP 107 DI 10.1016/j.cbpa.2015.08.014 PG 8 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA CZ5BP UT WOS:000367117500016 PM 26529490 ER PT J AU Cragg, SM Beckham, GT Bruce, NC Bugg, TDH Distel, DL Dupree, P Etxabe, AG Goodell, BS Jellison, J McGeehan, JE McQueen-Mason, SJ Schnorr, K Walton, PH Watts, JEM Zimmer, M AF Cragg, Simon M. Beckham, Gregg T. Bruce, Neil C. Bugg, Timothy D. H. Distel, Daniel L. Dupree, Paul Etxabe, Amaia Green Goodell, Barry S. Jellison, Jody McGeehan, John E. McQueen-Mason, Simon J. Schnorr, Kirk Walton, Paul H. Watts, Joy E. M. Zimmer, Martin TI Lignocellulose degradation mechanisms across the Tree of Life SO CURRENT OPINION IN CHEMICAL BIOLOGY LA English DT Review ID CARBOHYDRATE-ACTIVE ENZYMES; CELL WALL POLYSACCHARIDES; ENDOGENOUS CELLULASE; LIGNIN DEGRADATION; FUNGAL CELLULASES; DEGRADING ENZYMES; TERMITE; GUT; DIGESTION; MONOOXYGENASES AB Organisms use diverse mechanisms involving multiple complementary enzymes, particularly glycoside hydrolases (GHs), to deconstruct lignocellulose. Lytic polysaccharide monooxygenases (LPMOs) produced by bacteria and fungi facilitate deconstruction as does the Fenton chemistry of brown-rot fungi. Lignin depolymerisation is achieved by white-rot fungi and certain bacteria, using peroxidases and laccases. Meta-omics is now revealing the complexity of prokaryotic degradative activity in lignocellulose-rich environments. Protists from termite guts and some oomycetes produce multiple lignocellulolytic enzymes. Lignocellulose-consuming animals secrete some GHs, but most harbour a diverse enzyme-secreting gut microflora in a mutualism that is particularly complex in termites. Shipworms however, house GH-secreting and LPMO-secreting bacteria separate from the site of digestion and the isopod Limnoria relies on endogenous enzymes alone. The omics revolution is identifying many novel enzymes and paradigms for biomass deconstruction, but more emphasis on function is required, particularly for enzyme cocktails, in which LPMOs may play an important role. C1 [Cragg, Simon M.; Etxabe, Amaia Green; McGeehan, John E.; Watts, Joy E. M.] Univ Portsmouth, Sch Biol Sci, Portsmouth PO1 2DY, Hants, England. [Beckham, Gregg T.] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA. [Bruce, Neil C.; McQueen-Mason, Simon J.] Univ York, Dept Biol Sci, Ctr Novel Agr Prod, York YO10 5DD, N Yorkshire, England. [Bugg, Timothy D. H.] Univ Warwick, Dept Chem, Coventry CV4 7AL, W Midlands, England. [Distel, Daniel L.] Northeastern Univ, Ctr Marine Sci, Ocean Genome Legacy, Boston, MA 02115 USA. [Dupree, Paul] Univ Cambridge, Dept Biochem, Cambridge CB2 1QW, England. [Goodell, Barry S.] Virginia Polytech Inst & State Univ, Virginia Tech, Dept Sustainable Biomat, Blacksburg, VA 24061 USA. [Jellison, Jody] Virginia Polytech Inst & State Univ, Virginia Tech, Dept Plant Pathol Physiol & Weed Sci, Blacksburg, VA 24061 USA. [Schnorr, Kirk] Novozymes AS, DK-2880 Bagsvaerd, Denmark. [Walton, Paul H.] Univ York, Dept Chem, York YO10 5DD, N Yorkshire, England. [Zimmer, Martin] Leibniz Ctr Trop Marine Ecol ZMT GmbH, D-28359 Bremen, Germany. RP Cragg, SM (reprint author), Univ Portsmouth, Sch Biol Sci, King Henry Bldg,King Henry 1st St, Portsmouth PO1 2DY, Hants, England. EM simon.cragg@port.ac.uk RI Cragg, Simon/C-8463-2011; Distel, Daniel/A-8047-2017; OI Cragg, Simon/0000-0003-1082-7653; Distel, Daniel/0000-0002-3860-194X; McGeehan, John/0000-0002-6750-1462 FU BBSRC [BB/H531543/1, BB/L001926/1, BB/1018492/1, BB/K020358/1]; US Partnering grant from BBSRC [BB/G016208/1]; BBSRC/FAPESP grant [BB/1018492/1]; Marie Curie [FP7-RG 276948]; USDA Hatch Project [S-1041 VA-136288]; NSF Award [IOS1442759]; NIH Award [U19 TW008163]; US Department of Energy Bioenergy Technologies Office FX The work of the teams at York, Portsmouth and Cambridge on development of ideas expressed in this review was supported by grants from BBSRC (BB/H531543/1, BB/L001926/1, BB/1018492/1, BB/K020358/1). The workshop was supported by a US Partnering grant from BBSRC (BB/G016208/1) to Cragg and a BBSRC/FAPESP grant to Bruce (BB/1018492/1). Watts was supported by Marie Curie FP7-RG 276948. Goodell acknowledges support from USDA Hatch Project S-1041 VA-136288. Distel acknowledges support from NSF Award IOS1442759 and NIH Award Number U19 TW008163. Beckham thanks the US Department of Energy Bioenergy Technologies Office for funding. We appreciated the hospitality of the Linnean Society in allowing us to meet in inspirational surroundings under portraits of Linnaeus, Darwin and Wallace. NR 74 TC 19 Z9 19 U1 40 U2 131 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1367-5931 EI 1879-0402 J9 CURR OPIN CHEM BIOL JI Curr. Opin. Chem. Biol. PD DEC PY 2015 VL 29 BP 108 EP 119 DI 10.1016/j.cbpa.2015.10.018 PG 12 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA CZ5BP UT WOS:000367117500017 PM 26583519 ER PT J AU Gibbons, SM Gilbert, JA AF Gibbons, Sean M. Gilbert, Jack A. TI Microbial diversity - exploration of natural ecosystems and microbiomes SO CURRENT OPINION IN GENETICS & DEVELOPMENT LA English DT Article ID BACTERIAL COMMUNITY STRUCTURE; POPULATION GENOMICS; GLOBAL PATTERNS; SEED BANK; ECOLOGY; BIOSPHERE; OCEAN; DIFFERENTIATION; BIOGEOGRAPHY; MAINTENANCE AB Microorganisms are the pillars of life on Earth. Over billions of years, they have evolved into every conceivable niche on the planet. Microbes reshaped the oceans and atmosphere and gave rise to conditions conducive to multicellular organisms. Only in the past decade have we started to peer deeply into the microbial cosmos, and what we have found is amazing. Microbial ecosystems behave, in many ways, like large-scale ecosystems, although there are important exceptions. We review recent advances in our understanding of how microbial diversity is distributed across environments, how microbes influence the ecosystems in which they live, and how these nano-machines might be harnessed to advance our understanding of the natural world. C1 [Gibbons, Sean M.] Univ Chicago, Grad Program Biophys Sci, Chicago, IL 60637 USA. [Gibbons, Sean M.; Gilbert, Jack A.] Argonne Natl Lab, Inst Genom & Syst Biol, Argonne, IL 60439 USA. [Gibbons, Sean M.] MIT, Dept Biol Engn, Cambridge, MA 02139 USA. [Gilbert, Jack A.] Univ Chicago, Dept Ecol & Evolut, Chicago, IL 60637 USA. [Gilbert, Jack A.] Univ Chicago, Dept Surg, Chicago, IL 60637 USA. [Gilbert, Jack A.] Marine Biol Lab, Woods Hole, MA 02543 USA. [Gilbert, Jack A.] Zhejiang Univ, Coll Environm & Resource Sci, Hangzhou 310058, Zhejiang, Peoples R China. RP Gibbons, SM (reprint author), Univ Chicago, Grad Program Biophys Sci, Chicago, IL 60637 USA. EM sgibbons@mit.edu; gilbert@mcs.anl.gov FU EPA STAR Graduate Fellowship; NIH [5T-32EB-009412] FX S.M.G. was supported by an EPA STAR Graduate Fellowship and by NIH training grant 5T-32EB-009412. NR 68 TC 2 Z9 2 U1 8 U2 38 PU CURRENT BIOLOGY LTD PI LONDON PA 84 THEOBALDS RD, LONDON WC1X 8RR, ENGLAND SN 0959-437X EI 1879-0380 J9 CURR OPIN GENET DEV JI Curr. Opin. Genet. Dev. PD DEC PY 2015 VL 35 BP 66 EP 72 DI 10.1016/j.gde.2015.10.003 PG 7 WC Cell Biology; Genetics & Heredity SC Cell Biology; Genetics & Heredity GA CZ1XZ UT WOS:000366900600010 PM 26598941 ER PT J AU Hittinger, CT Rokas, A Bai, FY Boekhout, T Goncalves, P Jeffries, TW Kominek, J Lachance, MA Libkind, D Rosa, CA Sampaio, JP Kurtzman, CP AF Hittinger, Chris Todd Rokas, Antonis Bai, Feng-Yan Boekhout, Teun Goncalves, Paula Jeffries, Thomas W. Kominek, Jacek Lachance, Marc-Andre Libkind, Diego Rosa, Carlos A. Sampaio, Jose Paulo Kurtzman, Cletus P. TI Genomics and the making of yeast biodiversity SO CURRENT OPINION IN GENETICS & DEVELOPMENT LA English DT Article ID HORIZONTAL GENE-TRANSFER; SACCHAROMYCES-CEREVISIAE GENOME; LAGER-BREWING YEAST; POPULATION GENOMICS; DRAFT GENOME; INTERSPECIES HYBRID; CANDIDA-ALBICANS; SEQUENCE; EVOLUTION; REVEALS AB Yeasts are unicellular fungi that do not form fruiting bodies. Although the yeast lifestyle has evolved multiple times, most known species belong to the subphylum Saccharomycotina (syn. Hemiascomycota, hereafter yeasts). This diverse group includes the premier eukaryotic model system, Saccharomyces cerevisiae; the common human commensal and opportunistic pathogen, Candida albicans; and over 1000 other known species (with more continuing to be discovered). Yeasts are found in every biome and continent and are more genetically diverse than angiosperms or chordates. Ease of culture, simple life cycles, and small genomes (similar to 10-20 Mbp) have made yeasts exceptional models for molecular genetics, biotechnology, and evolutionary genomics. Here we discuss recent developments in understanding the genomic underpinnings of the making of yeast biodiversity, comparing and contrasting natural and human-associated evolutionary processes. Only a tiny fraction of yeast biodiversity and metabolic capabilities has been tapped by industry and science. Expanding the taxonomic breadth of deep genomic investigations will further illuminate how genome function evolves to encode their diverse metabolisms and ecologies. C1 [Hittinger, Chris Todd; Kominek, Jacek] Univ Wisconsin, Genet Lab, Genome Ctr Wisconsin, Wisconsin Energy Inst,JF Crow Inst Study Evolut, Madison, WI 53706 USA. [Hittinger, Chris Todd] Univ Wisconsin, DOE Great Lakes Bioenergy Res Ctr, Madison, WI 53706 USA. [Rokas, Antonis] Vanderbilt Univ, Dept Biol Sci, Nashville, TN 37235 USA. [Bai, Feng-Yan; Boekhout, Teun] Chinese Acad Sci, Inst Microbiol, State Key Lab Mycol, Beijing 100101, Peoples R China. [Boekhout, Teun] CBS KNAW Fungal Biodivers Ctr, Utrecht, Netherlands. [Boekhout, Teun] Second Mil Med Univ, Shanghai Key Lab Mol Med Mycol, Changzheng Hosp, Shanghai, Peoples R China. [Goncalves, Paula; Sampaio, Jose Paulo] Univ Nova Lisboa, Fac Ciencias & Tecnol, Dept Ciencias Vida, UCIBIO REQUIMTE, P-2829516 Caparica, Portugal. [Jeffries, Thomas W.] Univ Wisconsin, Dept Bacteriol, Madison, WI 53706 USA. [Lachance, Marc-Andre] Univ Western Ontario, Dept Biol, London, ON N6A 5B7, Canada. [Libkind, Diego] Consejo Nacl Invest Cient & Tecn, UNComahue, Inst Invest Biodiversidad & Medioambiente INIBIOM, Lab Microbiol Aplicada & Biotecnol, San Carlos De Bariloche, Rio Negro, Argentina. [Rosa, Carlos A.] Univ Fed Minas Gerais, ICB, Dept Microbiol, BR-31270901 Belo Horizonte, MG, Brazil. [Kurtzman, Cletus P.] ARS, Bacterial Foodborne Pathogens & Mycol Res Unit, Natl Ctr Agr Utilizat Res, USDA, Peoria, IL USA. RP Hittinger, CT (reprint author), Univ Wisconsin, Genet Lab, Genome Ctr Wisconsin, Wisconsin Energy Inst,JF Crow Inst Study Evolut, Madison, WI 53706 USA. EM cthittinger@wisc.edu RI Sampaio, Jose Paulo/C-5532-2011; Goncalves, Paula/B-4016-2010; OI Goncalves, Paula/0000-0003-2103-1060; Kominek, Jacek/0000-0002-1916-0122; Sampaio, Jose/0000-0001-8145-5274; Rokas, Antonis/0000-0002-7248-6551 FU National Science Foundation [DEB-1442148, DEB-1253634, DEB-1442113]; DOE Great Lakes Bioenergy Research Center (DOE Office of Science BER) [DE-FC02-07ER64494]; USDA National Institute of Food and Agriculture [1003258]; Alexander von Humboldt Foundation; Pew Charitable Trusts; National Institutes of Health (NIAID) [AI105619]; March of Dimes; Natural Science and Engineering Research Council of Canada; CONICET; Universidad Nacional del Comahue [B171]; FONCyT [PICT 2014-2542]; Conselho Nacional de Desenvolvimento Cientifico e Tecnologico (CNPq)-Brazil FX We thank the many colleagues who alerted us to relevant literature and apologize to those whose work was excluded due to space limitations or oversight. Mention of trade names or commercial products in this publication is solely for the purpose of providing specific information and does not imply recommendation or endorsement by the U.S. Department of Agriculture. USDA is an equal opportunity provider and employer. Research in the Hittinger Lab is supported by the National Science Foundation (Grant Nos. DEB-1442148 to CTH and CPK, DEB-1253634 to CTH); the DOE Great Lakes Bioenergy Research Center (DOE Office of Science BER DE-FC02-07ER64494); the USDA National Institute of Food and Agriculture (Hatch project 1003258); the Alexander von Humboldt Foundation (CTH is an Alfred Toepfer Faculty Fellow); and the Pew Charitable Trusts (CTH is a Pew Scholar in the Biomedical Sciences). Research in the Rokas Lab is supported by the National Science Foundation (DEB-1442113); the National Institutes of Health (NIAID, AI105619); and the March of Dimes. Research in the Lachance Lab is supported by the Natural Science and Engineering Research Council of Canada. Research in the Libkind Lab is supported by CONICET, Universidad Nacional del Comahue (B171), and FONCyT (PICT 2014-2542). Research in the Rosa Lab is supported by the Conselho Nacional de Desenvolvimento Cientifico e Tecnologico (CNPq)-Brazil. NR 105 TC 13 Z9 13 U1 10 U2 33 PU CURRENT BIOLOGY LTD PI LONDON PA 84 THEOBALDS RD, LONDON WC1X 8RR, ENGLAND SN 0959-437X EI 1879-0380 J9 CURR OPIN GENET DEV JI Curr. Opin. Genet. Dev. PD DEC PY 2015 VL 35 BP 100 EP 109 DI 10.1016/j.gde.2015.10.008 PG 10 WC Cell Biology; Genetics & Heredity SC Cell Biology; Genetics & Heredity GA CZ1XZ UT WOS:000366900600015 PM 26649756 ER PT J AU Ali, AA Xu, CG Rogers, A McDowell, NG Medlyn, BE Fisher, RA Wullschleger, SD Reich, PB Vrugt, JA Bauerle, WL Santiago, LS Wilson, CJ AF Ali, Ashehad A. Xu, Chonggang Rogers, Alistair McDowell, Nathan G. Medlyn, Belinda E. Fisher, Rosie A. Wullschleger, Stan D. Reich, Peter B. Vrugt, Jasper A. Bauerle, William L. Santiago, Louis S. Wilson, Cathy J. TI Global-scale environmental control of plant photosynthetic capacity SO ECOLOGICAL APPLICATIONS LA English DT Article DE climate change; climate variables; Earth System Models; leaf nitrogen content; photosynthetic capacity; plant traits ID ELEVATED CARBON-DIOXIDE; NITROGEN-USE EFFICIENCY; SIMULATED AUTUMN CONDITIONS; BIOCHEMICALLY BASED MODEL; INCREASED AIR-TEMPERATURE; LEAF LIFE-SPAN; DECIDUOUS FOREST; STOMATAL CONDUCTANCE; CLIMATE-CHANGE; TERRESTRIAL BIOSPHERE AB Photosynthetic capacity, determined by light harvesting and carboxylation reactions, is a key plant trait that determines the rate of photosynthesis; however, in Earth System Models (ESMs) at a reference temperature, it is either a fixed value for a given plant functional type or derived from a linear function of leaf nitrogen content. In this study, we conducted a comprehensive analysis that considered correlations of environmental factors with photosynthetic capacity as determined by maximum carboxylation (V-c,V-m) rate scaled to 25 degrees C (i.e., V-c,V-25; mu mol CO2.m(-2).s(-1)) and maximum electron transport rate (Jmax) scaled to 25 degrees C (i.e., J(25); mu mol electron m(-2).s(-1)) at the global scale. Our results showed that the percentage of variation in observed Vc,25 and J25 explained jointly by the environmental factors (i.e., day length, radiation, temperature, and humidity) were 2-2.5 times and 6-9 times of that explained by area-based leaf nitrogen content, respectively. Environmental factors influenced photosynthetic capacity mainly through photosynthetic nitrogen use efficiency, rather than through leaf nitrogen content. The combination of leaf nitrogen content and environmental factors was able to explain similar to 56% and similar to 66% of the variation in V-c,V-25 and J(25) at the global scale, respectively. Our analyses suggest that model projections of plant photosynthetic capacity and hence land atmosphere exchange under changing climatic conditions could be substantially improved if environmental factors are incorporated into algorithms used to parameterize photosynthetic capacity in ESMs. C1 [Ali, Ashehad A.; Xu, Chonggang; McDowell, Nathan G.; Wilson, Cathy J.] Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA. [Ali, Ashehad A.; Vrugt, Jasper A.] Univ Calif Irvine, Dept Civil & Environm Engn, Irvine, CA 92697 USA. [Rogers, Alistair] Brookhaven Natl Lab, Biol Environm & Climate Sci Dept, Upton, NY 11973 USA. [Medlyn, Belinda E.] Univ Western Sydney, Hawaii Inst Environm, Hawkesbury, NSW, Australia. [Fisher, Rosie A.] Natl Ctr Atmospher Res, Climate & Global Dynam, Boulder, CO 80305 USA. [Wullschleger, Stan D.] Oak Ridge Natl Lab, Div Environm Sci, Climate Change Sci Inst, Oak Ridge, TN 37831 USA. [Reich, Peter B.] Univ Minnesota, Dept Forest Resources, Minneapolis, MN 55455 USA. [Reich, Peter B.] Univ Western Sydney, Hawkesbury Inst Environm, Penrith, NSW 1797, Australia. [Vrugt, Jasper A.] Univ Calif Irvine, Dept Earth Syst Sci, Irvine, CA 92697 USA. [Bauerle, William L.] Colorado State Univ, Dept Hort & Landscape Architecture, Ft Collins, CO 80523 USA. [Bauerle, William L.] Colorado State Univ, Dept Ecol, Ft Collins, CO 80523 USA. [Santiago, Louis S.] Univ Calif Riverside, Dept Bot & Plant Sci, Riverside, CA 92521 USA. RP Ali, AA (reprint author), Harvard Univ, Dept Organism & Evolutionary Biol, Cambridge, MA 02138 USA. EM ali.ashehad@gmail.com RI Santiago, Louis/E-3185-2016; Rogers, Alistair/E-1177-2011; Wullschleger, Stan/B-8297-2012; OI Santiago, Louis/0000-0001-5994-6122; Rogers, Alistair/0000-0001-9262-7430; Wullschleger, Stan/0000-0002-9869-0446; Xu, Chonggang/0000-0002-0937-5744 FU UC Laboratory Fees Research Program [237285]; NGEE-Tropics program at office of Biological and Environmental Research, DOE Office of Science FX This work is funded by the UC Laboratory Fees Research Program (Grant ID: 237285) and the NGEE-Tropics program at the office of Biological and Environmental Research, DOE Office of Science. This submission is under public release with the approved LA-UR-13-27167. Conflict of interest: none declared. NR 115 TC 10 Z9 10 U1 13 U2 56 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1051-0761 EI 1939-5582 J9 ECOL APPL JI Ecol. Appl. PD DEC PY 2015 VL 25 IS 8 BP 2349 EP 2365 DI 10.1890/14-2111.1.sm PG 17 WC Ecology; Environmental Sciences SC Environmental Sciences & Ecology GA CZ6KR UT WOS:000367210700022 PM 26910960 ER PT J AU French, RJ Black, SK Myers, M Stunkel, J Gjersing, E Iisa, K AF French, Richard J. Black, Stuart K. Myers, Michele Stunkel, James Gjersing, Erica Iisa, Kristiina TI Hydrotreating the Organic Fraction of Biomass Pyrolysis Oil to a Refinery Intermediate SO ENERGY & FUELS LA English DT Article ID BIO-OIL; CATALYTIC HYDRODEOXYGENATION; ADVANCED BIOFUELS; LIGNIN; IMPACT; FUELS; UNITS AB The effect of the catalyst type, hydroprocessing conditions, and feed preparation on the mild hydrotreating of biomass pyrolytic lignin was examined. Pyrolytic lignin oils were produced by water separation at 1:1 and 3:1 water/oil mass ratios. Hydrotreating was performed in a semi-batch reactor at three severities using sulfided NiMo/Al2O3, Pd/C, and Pt/C catalysts. Over half of the carbon in the pyrolytic lignin could be converted to a low-oxygen (<5%), low-acid, volatile, hydrocarbon-miscible liquid product. This was achieved with all three catalysts at the most severe condition (400 degrees C and 2450 psig) and with Pt/C at somewhat less severe conditions. Nuclear magnetic resonance (NMR) analyses indicated that the remaining oxygen is largely phenolic in character. Hydrotreating of the organic fraction (pyrolytic lignin) gave oil with better properties, lower 0 and lower acidity, than hydrotreating of the whole oil at equivalent conditions. C1 [French, Richard J.; Black, Stuart K.; Myers, Michele; Stunkel, James; Gjersing, Erica; Iisa, Kristiina] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA. RP French, RJ (reprint author), Natl Renewable Energy Lab, Natl Bioenergy Ctr, 15013 Denver West Parkwy, Golden, CO 80401 USA. EM richard.french@nrel.gov FU Bioenergy Technologies Office, Office of Energy Efficiency and Renewable Energy, United States Department of Energy (DOE) [DE-AC36-08GO28308]; National Renewable Energy Laboratory (NREL) [15590, 25579] FX This work was supported by the Bioenergy Technologies Office, Office of Energy Efficiency and Renewable Energy, United States Department of Energy (DOE), under Contract DE-AC36-08GO28308 with the National Renewable Energy Laboratory (NREL), Agreements 15590 and 25579. The U.S. Government retains and the publisher, by accepting the article for publication, acknowledges that the U.S. Government retains a nonexclusive, paid up, irrevocable, world-wide license to publish or reproduce the published form of this work or allow others to do so, for U.S. Government purposes. NR 29 TC 3 Z9 3 U1 3 U2 11 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0887-0624 EI 1520-5029 J9 ENERG FUEL JI Energy Fuels PD DEC PY 2015 VL 29 IS 12 BP 7985 EP 7992 DI 10.1021/acs.energyfuels.5b01440 PG 8 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA CZ1PO UT WOS:000366878000025 ER PT J AU Howe, D Taasevigen, D Gerber, M Gray, M Fernandez, C Saraf, L Garcia-Perez, M Wolcott, M AF Howe, Daniel Taasevigen, Danny Gerber, Mark Gray, Michel Fernandez, Carlos Saraf, Laxmikant Garcia-Perez, Manuel Wolcott, Michael TI Bed Agglomeration during the Steam Gasification of a High-Lignin Corn Stover Simultaneous Saccharification and Fermentation (SSF) Digester Residue SO ENERGY & FUELS LA English DT Article ID BIOMASS GASIFICATION; TAR FORMATION; WHEAT-STRAW; FUELS; COMBUSTION; WOOD; TEMPERATURE; PYROLYSIS; GAS; OIL AB This research investigates the bed agglomeration phenomena during the steam gasification of a high-lignin residue produced from the simultaneous saccharification and fermentation (SSF) of corn stover in a bubbling fluidized bed. The studies were conducted at 895 degrees C using alumina as bed material. Biomass was fed at 1.5 kg/h, while steam was fed to give a velocity equal to 2.5 times the minimum fluidization velocity, with a steam/carbon ratio of 0.9. The pelletized feedstock was co-fed with a cooling nitrogen stream to mitigate feed line plugging issues. Tar production was high at 50.3 g/Nm(3), and the fraction of C10+ compounds was greater than that observed in the gasification of traditional lignocellulosic feedstocks. Carbon closures over 94% were achieved for all experiments. Bed agglomeration was found to be problematic, indicated by pressure drop increases observed below the bed and upstream of the feed line. Two size categories of solids were recovered from the reactor: +0.25 mm and -0.25 mm. After 2.75 h of experiment, 61.7 wt % was recovered as -0.25 mm particles and 38.2 wt % of the recovered reactor solids were +0.25 mm. A sizable percentage (31.8 wt %) was +0.841 mm. The -0.25 mm particles were mainly formed by the initial bed material (Al2O3). Almost 50 wt % of the +0.841 mm particles was found to be formed by organics. The unreacted carbon remaining in the reactor resulted in a low conversion rate to product gas. Inductively coupled plasma atomic emission spectroscopy (ICP-AES), scanning electron microscopy-energy-dispersive spectroscopy (SEM-EDS), and X-ray diffraction (XRD) confirmed that the large agglomerates (+0.841 mm) were not encapsulated bed material but rather ungasified feedstock pellets with sand particles attached to it. C1 [Howe, Daniel; Taasevigen, Danny; Gerber, Mark; Gray, Michel; Fernandez, Carlos; Saraf, Laxmikant] Pacific NW Natl Lab, Richland, WA 99352 USA. [Garcia-Perez, Manuel; Wolcott, Michael] Washington State Univ, Pullman, WA 99164 USA. RP Howe, D (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99352 USA. EM howe@pnnl.gov FU U.S. Department of Energy [DE-AC05-76RL01830] FX This manuscript has been authored by Battelle Memorial Institute, under Contract No. DE-AC05-76RL01830 with the U.S. Department of Energy. The U.S. 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 U.S. Government purposes. NR 49 TC 2 Z9 2 U1 2 U2 5 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0887-0624 EI 1520-5029 J9 ENERG FUEL JI Energy Fuels PD DEC PY 2015 VL 29 IS 12 BP 8035 EP 8046 DI 10.1021/acs.energyfuels.5b01808 PG 12 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA CZ1PO UT WOS:000366878000031 ER PT J AU Jones, K Ramakrishnan, G Uchimiya, M Orlov, A Castaldi, MJ LeBlanc, J Hiradate, S AF Jones, Keith Ramakrishnan, Girish Uchimiya, Minori Orlov, Alexander Castaldi, Marco J. LeBlanc, Jeffrey Hiradate, Syuntaro TI Fate of Higher-Mass Elements and Surface Functional Groups during the Pyrolysis of Waste Pecan Shell SO ENERGY & FUELS LA English DT Article ID CARBON-DIOXIDE; ORGANIC-COMPOUNDS; BIOCHAR; SOIL; MICROTOMOGRAPHY; SEQUESTRATION; SPECTROSCOPY; TEMPERATURE; FEEDSTOCK; CHAR AB Thermochemical conversion of agricultural wastes to bioenergy has a potential to play forefront roles within the context of the food, energy, and water nexus. The biochar solid product of pyrolysis is a promising tool to manage food crop production and water resources by means of soil amendment. The goal of this study was to understand the fate of surface functional groups and higher-atomic-mass elements during the pyrolysis of pecan shell, which is known to accumulate calcium oxalate. Pecan shell feedstock and biochars were analyzed ex situ using X-ray computed microtomography and solid-state C-13 cross-polarization and magic-angle-spinning NMR spectroscopy; the pyrolysis kinetics was monitored in situ by thermogravimetric analysis gas chromatography (TGA-GC). The NMR spectra indicated the greatest (i) reduction in O/N alkyl functionality and (ii) increase in the aromatic peak between 300 and 500 degrees C. Primary physical transformation was observed near 400 degrees C in the tomography slice images and corresponding attenuation coefficients. Key changes in physical structure (microtomography) as well as chemical constituents (solid-state NMR) of pecan shell at 300-500 degrees C coincided with the evolution of gaseous products (hydrogen, methane, carbon monoxide, carbon dioxide, ethylene, and ethane, as monitored in situ by TGA-GC) occurring at 200-500 degrees C. These observations followed the reported (0 formation and removal of carboxyl surface functional groups of biochar and (ii) conversion of calcium oxalate to carbonate, both occurring at the key transition temperature near 400 degrees C. Combined with the mass balance (99.7%) obtained for gas-, liquid-, and solid-phase products, these findings will facilitate reactor design to optimize syngas and bio-oil yields and manipulate the surface reactivity of biochar soil amendment. C1 [Jones, Keith; Ramakrishnan, Girish; Uchimiya, Minori; Orlov, Alexander] SUNY Stony Brook, Dept Mat Sci & Engn, Stony Brook, NY 11794 USA. [Jones, Keith] Brookhaven Natl Lab, Biol Environm & Climate Sci Dept, Upton, NY 11973 USA. [Uchimiya, Minori] USDA ARS, So Reg Res Ctr, New Orleans, LA 70124 USA. [Castaldi, Marco J.; LeBlanc, Jeffrey] CUNY City Coll, Dept Chem Engn, New York, NY 10031 USA. [Hiradate, Syuntaro] Natl Inst Agroenvironm Sci, Tsukuba, Ibaraki 3058604, Japan. RP Uchimiya, M (reprint author), SUNY Stony Brook, Dept Mat Sci & Engn, Room 314 Old Engn, Stony Brook, NY 11794 USA. EM sophie.uchimiya@ars.usda.gov NR 40 TC 2 Z9 2 U1 7 U2 23 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0887-0624 EI 1520-5029 J9 ENERG FUEL JI Energy Fuels PD DEC PY 2015 VL 29 IS 12 BP 8095 EP 8101 DI 10.1021/acs.energyfuels.5b02428 PG 7 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA CZ1PO UT WOS:000366878000039 ER PT J AU Macchiavelli, AO AF Macchiavelli, Augusto O. TI How to Study Efimov States in Exotic Nuclei? SO FEW-BODY SYSTEMS LA English DT Article ID LIGHT HALO NUCLEI; UNIVERSAL ASPECTS AB The existence of Efimov states in atomic nuclei has been predicted by several authors considering 3-body systems of the form Core-neutron-neutron. While these states appear elusive and very challenging experimentally, we discuss possible reactions that can be used to produce and study them in exotic (weakly-bound) nuclei. Following simple arguments, we show that cross-sections relative to the ground states should scale with the parameter lambda(0), which is the same scale factor for binding energies and radii. We derive back of the envelope estimates for: one-and two-neutron transfer reactions, and inelastic scattering. The (d, p) reaction appears as the most promising approach and we discuss in more detail some experimental considerations using the example of C-19(d, p)C-20. These initial estimates could serve as a starting point for more refined and realistic calculations, which will be required for careful experimental planning and further analysis. C1 [Macchiavelli, Augusto O.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA. RP Macchiavelli, AO (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Nucl Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM aom@lbl.gov FU U.S. Department of Energy, Office of Science, Office of Nuclear Physics [DE-AC02-05CH11231] FX I would like to thank the members of the LBNL Nuclear Structure Group for fruitful discussions and H.L. Crawford for her careful reading of the manuscript. I would also like to thank Prof. Tobias Frederico for encouraging me to publish these ideas and for comments on the manuscript. This material is based upon work supported by the U.S. Department of Energy, Office of Science, Office of Nuclear Physics under Contract No. DE-AC02-05CH11231. NR 23 TC 2 Z9 2 U1 1 U2 1 PU SPRINGER WIEN PI WIEN PA SACHSENPLATZ 4-6, PO BOX 89, A-1201 WIEN, AUSTRIA SN 0177-7963 EI 1432-5411 J9 FEW-BODY SYST JI Few-Body Syst. PD DEC PY 2015 VL 56 IS 11-12 SI SI BP 773 EP 778 DI 10.1007/s00601-015-0998-4 PG 6 WC Physics, Multidisciplinary SC Physics GA CZ3KC UT WOS:000367002000008 ER PT J AU Forssen, C Lundmark, R Rotureau, J Larsson, J Lidberg, D AF Forssen, Christian Lundmark, Rikard Rotureau, Jimmy Larsson, Jonathan Lidberg, David TI Strongly Interacting Few-Fermion Systems in a Trap SO FEW-BODY SYSTEMS LA English DT Article ID SCATTERING AB Few- and many-fermion systems on the verge of stability, and consisting of strongly interacting particles, appear in many areas of physics. The theoretical modeling of such systems is a very difficult problem. In this work we present a theoretical framework that is based on the rigged Hilbert space formulation. The few-body problem is solved by exact diagonalization using a basis in which bound, resonant, and non-resonant scattering states are included on an equal footing. Current experiments with ultracold atoms offer a fascinating opportunity to study universal properties of few-body systems with a high degree of control over parameters such as the external trap geometry, the number of particles, and even the interaction strength. In particular, particles can be allowed to tunnel out of the trap by applying a magnetic-field gradient that effectively lowers the potential barrier. The result is a tunable open quantum system that allows detailed studies of the tunneling mechanism. In this Paper we introduce our method and present results for the decay rate of two distinguishable fermions in a one-dimensional trap as a function of the interaction strength. In particular, we present for the first time several technical and numerical details of our approach, recently published in Lundmark et al. (Phys Rev A 91:041601, 2015). We also show results from a careful analysis of the numerical convergence. C1 [Forssen, Christian; Lundmark, Rikard; Rotureau, Jimmy; Larsson, Jonathan; Lidberg, David] Chalmers, Dept Fundamental Phys, SE-41296 Gothenburg, Sweden. [Forssen, Christian] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Forssen, Christian] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. RP Forssen, C (reprint author), Chalmers, Dept Fundamental Phys, SE-41296 Gothenburg, Sweden. EM christian.forssen@chalmers.se RI Forssen, Christian/C-6093-2008; rotureau, jimmy/B-2365-2013 OI Forssen, Christian/0000-0003-3458-0480; FU European Research Council under the European Community's Seventh Framework Programme (FP7) / ERC [240603]; Swedish Foundation for International Cooperation in Research and Higher Education (STINT) [IG2012-5158]; European Centre for Theoretical Studies in Nuclear physics and Related Areas (ECT*) in Trento; Institute for Nuclear Theory at the University of Washington FX The first author wishes to acknowledge the organizers and participiants of the 7th International Workshop on the "Dynamics of Critically Stable Quantum Few-Body Systems" in Santos, Brazil. The cross-disciplinary theme of the meeting provided a very stimulating environment and triggeredmany interesting discussions. The research leading to these results has received funding from the European Research Council under the European Community's Seventh Framework Programme (FP7/2007-2013) / ERC Grant Agreement No. 240603, and the Swedish Foundation for International Cooperation in Research and Higher Education (STINT, IG2012-5158). The computations were performed on resources provided by the Swedish National Infrastructure for Computing (SNIC) at High-Performance Computing Center North (HPC2N) and at Chalmers Centre for Computational Science and Engineering (C3SE). We thank the European Centre for Theoretical Studies in Nuclear physics and Related Areas (ECT*) in Trento, and the Institute for Nuclear Theory at the University of Washington, for their hospitality and partial support during the completion of this work. We are much indebted to D. Blume, M. Zhukov, N. Zinner, and G. Zurn for stimulating discussions. NR 20 TC 0 Z9 0 U1 1 U2 2 PU SPRINGER WIEN PI WIEN PA SACHSENPLATZ 4-6, PO BOX 89, A-1201 WIEN, AUSTRIA SN 0177-7963 EI 1432-5411 J9 FEW-BODY SYST JI Few-Body Syst. PD DEC PY 2015 VL 56 IS 11-12 SI SI BP 837 EP 844 DI 10.1007/s00601-015-0989-5 PG 8 WC Physics, Multidisciplinary SC Physics GA CZ3KC UT WOS:000367002000016 ER PT J AU Lau, GK Benhamou, Y Chen, GF Li, J Shao, Q Ji, D Li, F Li, B Liu, JL Hou, JL Sun, J Wang, C Chen, J Wu, V Wong, A Po, L Wong, C Tsang, STY Wang, YD Ke, RA Perelson, AS Schinazi, RF AF Lau, George K. Benhamou, Yves Chen, Guofeng Li, Jin Shao, Qing Ji, Dong Li, Fan Li, Bing Liu, Jialiang Hou, Jinlin Sun, Jian Wang, Cheng Chen, Jing Wu, Vanessa Wong, April Po, Lei Wong, Chris Tsang, Stella Tsui Ying Wang Yudong Ke, Ruian Perelson, Alan S. Schinazi, Raymond F. TI Complete cure after three weeks of all-oral triple-direct acting antiviral (DAA) regimens in non-cirrhotic chronic hepatitis C genotype 1b Chinese subjects (SODAPI STUDY) SO HEPATOLOGY LA English DT Meeting Abstract C1 [Schinazi, Raymond F.] Emory Univ, Pediat, Atlanta, GA 30322 USA. [Schinazi, Raymond F.] Vet Affairs Med Ctr, Atlanta, GA 30033 USA. [Lau, George K.; Wang, Cheng; Chen, Jing; Wu, Vanessa; Wong, April; Wang Yudong] Humanity & Hlth Med Ctr, Div Gastroenterol & Hepatol, Hong Kong, Hong Kong, Peoples R China. [Benhamou, Yves] Hop La Pitie Salpetriere, Serv Hepatol, Paris, France. [Lau, George K.; Chen, Guofeng; Shao, Qing; Ji, Dong; Li, Fan; Li, Bing; Liu, Jialiang] 302 Hosp, Liver Cirrhosis Diag & Treatment Ctr 2, Beijing, Peoples R China. [Li, Jin] 302 Hosp, Inst Infect Dis, Beijing, Peoples R China. [Hou, Jinlin; Sun, Jian; Wang, Cheng] Southern Med Univ, State Key Lab Organ Failure Res, Guangdong Prov Key Lab Viral Hepatitis Res, Dept Infect Dis,Nanfang Hosp, Guangzhou, Guangdong, Peoples R China. [Wong, Chris; Tsang, Stella Tsui Ying] Hong Kong Mol Pathol Diagnost Ctr, Hong Kong, Hong Kong, Peoples R China. [Ke, Ruian; Perelson, Alan S.] Los Alamos Natl Lab, Theoret Biol & Biophys, Los Alamos, NM USA. RI Schinazi, Raymond/B-6777-2017 NR 0 TC 3 Z9 3 U1 0 U2 0 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0270-9139 EI 1527-3350 J9 HEPATOLOGY JI Hepatology PD DEC PY 2015 VL 62 IS 6 MA LB-23 BP 1394A EP 1394A PG 1 WC Gastroenterology & Hepatology SC Gastroenterology & Hepatology GA CZ3OF UT WOS:000367013200024 ER PT J AU Zhang, ZF White, SK White, MD AF Zhang, Z. Fred White, Signe K. White, Mark D. TI Delineating the horizontal plume extent and CO2 distribution at geologic sequestration sites SO INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL LA English DT Article DE Area of Review; Carbon sequestration; Reservoir simulation ID STORAGE AB Geologic carbon sequestration is the process of injecting carbon dioxide captured from an industrial source into the subsurface for long-term storage. An Area of Review (AoR) evaluation is one of the requirements for obtaining a Class VI permit under the Underground Injection Control Program of the U.S. Environmental Protection Agency. The Class VI rule requires that multi-phase computational modeling be used to delineate the Area of Review, based on the horizontal extent of the separate-phase CO2 plume. A new approach is presented to quantify the plume extent of CO2 based on the vertically integrated mass per area (VIMPA). The distribution of CO2 mass in a horizontal plane is described as VIMPA contour lines. The plume extent can be defined by either a contour line of a pre-defined VIMPA value or a contour line within which a certain percentage of CO2 mass is contained. The method was demonstrated by a hypothetical injection of CO2 into a deep saline aquifer. The results indicate that the VIMPA decreases with distance in an exponential manner and hence, most of the injected CO2 resides in a much smaller area near the injection wells. The VIMPA approach for determining the plume extent applies to all injection scenarios regardless of the spatial variability of the properties of the injection zone and allows for the calculation of the CO2 plume extent to be standardized for injection permit applications. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Zhang, Z. Fred; White, Signe K.; White, Mark D.] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA. RP Zhang, ZF (reprint author), Pacific NW Natl Lab, Energy & Environm Directorate, Hydrol Grp, 902 Battelle Blvd, Richland, WA 99352 USA. EM fred.zhang@pnnl.gov OI Zhang, Fred/0000-0001-8676-6426 FU Department of Energy [DE-FE0001882, DE-FE0005054] FX This material is based upon work supported by the Department of Energy under Award Number DE-FE0001882 and Award Number DE-FE0005054. For more information on FutureGen 2.0, please visit www.futuregenalliance.org. NR 17 TC 2 Z9 2 U1 1 U2 1 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1750-5836 EI 1878-0148 J9 INT J GREENH GAS CON JI Int. J. Greenh. Gas Control PD DEC PY 2015 VL 43 BP 141 EP 148 DI 10.1016/j.ijggc.2015.10.018 PG 8 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering, Environmental SC Science & Technology - Other Topics; Energy & Fuels; Engineering GA CZ4YX UT WOS:000367110200014 ER PT J AU Hallenbeck, AP Egbebi, A Resnik, KP Hopkinson, D Anna, SL Kitchin, JR AF Hallenbeck, Alexander P. Egbebi, Adefemi Resnik, Kevin P. Hopkinson, David Anna, Shelley L. Kitchin, John R. TI Comparative microfluidic screening of amino acid salt solutions for post-combustion CO2 capture SO INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL LA English DT Article DE Lysine; Segmented flow; Raman; Microfluidic ID CARBON-DIOXIDE ABSORPTION; AQUEOUS POTASSIUM-SALT; MASS-TRANSFER; FLUE-GAS; SOLVENTS; MICROCHANNEL; DEGRADATION; BICARBONATE; DISSOLUTION; SOLUBILITY AB The CO2 absorption capacity and rate of aqueous solutions of MEA and the potassium salts of glycine, taurine, proline, and lysine were compared in a microfluidic device. These properties were measured by tracking the volume change of an entrained CO2 gas plug as it traveled through a microfluidic channel. The potassium salt of lysine, which contains two primary amine functional groups, exhibited the highest rich CO2 loading, >50% higher than MEA. The salts of glycine, and taurine exhibited similar absorption capacity to MEA, and the salt of proline exhibited the lowest absorption capacity. The trend in absorption capacities of the potassium salt of lysine and MEA was also observed in a set of breakthrough CSTR experiments. Raman spectroscopy was used to analyze the absorbent solutions before exposure to CO2 as well as the reactor effluent. Spectral features of carbamate, carbonate, and bicarbonate were identified in the effluent spectra. The effectiveness of the microfluidic reactor as a solvent volume and time efficient screening tool is demonstrated. The results suggest further work should be done to evaluate the efficacy of the alkali salt of lysine as a post-combustion CO2 capture absorbent as it has potential to match or possibly improve upon the CO2 loading of MEA while offering advantages such as low toxicity and lower volatility. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Hallenbeck, Alexander P.; Egbebi, Adefemi; Resnik, Kevin P.; Hopkinson, David; Kitchin, John R.] Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. [Hallenbeck, Alexander P.; Anna, Shelley L.; Kitchin, John R.] Carnegie Mellon Univ, Dept Chem Engn, Pittsburgh, PA 15213 USA. [Egbebi, Adefemi; Resnik, Kevin P.] AECOM, Pittsburgh, PA 15236 USA. RP Kitchin, JR (reprint author), Carnegie Mellon Univ, Dept Chem Engn, Pittsburgh, PA 15213 USA. EM jkitchin@andrew.cmu.edu OI EGBEBI, ADEFEMI/0000-0002-0734-053X FU agency of the United States Government FX "This report was prepared as an account of work sponsored by an agency of the United States Government. Neither the United States Government nor any agency thereof, nor any of their employees, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise does not necessarily constitute or imply its endorsement, recommendation, or favoring by the United States Government or any agency thereof. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States Government or any agency thereof." NR 38 TC 0 Z9 0 U1 8 U2 17 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1750-5836 EI 1878-0148 J9 INT J GREENH GAS CON JI Int. J. Greenh. Gas Control PD DEC PY 2015 VL 43 BP 189 EP 197 DI 10.1016/j.ijggc.2015.10.026 PG 9 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering, Environmental SC Science & Technology - Other Topics; Energy & Fuels; Engineering GA CZ4YX UT WOS:000367110200019 ER PT J AU van Marrewijk, N Mirzaei, B Hayton, D Gao, JR Kao, TY Hu, Q Reno, JL AF van Marrewijk, N. Mirzaei, B. Hayton, D. Gao, J. R. Kao, T. Y. Hu, Q. Reno, J. L. TI Frequency Locking and Monitoring Based on Bi-directional Terahertz Radiation of a 3rd-Order Distributed Feedback Quantum Cascade Laser SO JOURNAL OF INFRARED MILLIMETER AND TERAHERTZ WAVES LA English DT Article DE Terahertz; Quantum cascade lasers (QCLs); Frequency locking; Third-order distributed feedback ID PHASE-LOCKING; WIRE LASER AB We have performed frequency locking of a dual, forward reverse emitting third-order distributed feedback quantum cascade laser (QCL) at 3.5 THz. By using both directions of THz emission in combination with two gas cells and two power detectors, we can for the first time perform frequency stabilization, while monitor the frequency locking quality independently. We also characterize how the use of a less sensitive pyroelectric detector can influence the quality of frequency locking, illustrating experimentally that the sensitivity of the detectors is crucial. Using both directions of terahertz (THz) radiation has a particular advantage for the application of a QCL as a local oscillator, where radiation from one side can be used for frequency/phase stabilization, leaving the other side to be fully utilized as a local oscillator to pump a mixer. C1 [van Marrewijk, N.; Mirzaei, B.; Gao, J. R.] Delft Univ Technol, Kavli Inst Nanosci, NL-2628 CJ Delft, Netherlands. [Hayton, D.; Gao, J. R.] SRON Netherlands Inst Space Res, NL-3584 CA Utrecht, Netherlands. [Kao, T. Y.; Hu, Q.] MIT, Dept Elect Engn & Comp Sci, Cambridge, MA 02139 USA. [Reno, J. L.] Sandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA. RP Mirzaei, B (reprint author), Delft Univ Technol, Kavli Inst Nanosci, Lorentzweg 1, NL-2628 CJ Delft, Netherlands. EM b.mirzaei@tudelft.nl FU Leo Kouwenhoven; NWO; NATO SFP; NASA; NSF; US Department of Energy National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors (B.M. and J.R.G.) acknowledge the support and encouragement from Leo Kouwenhoven. We also would like to thank Jerome Faist's group at ETH to help with making wire bonding to the laser for this experiment and Y. Ren for his advice on the use of the FTS. The work in the Netherlands is supported by NWO and NATO SFP. The work at MIT is supported by NASA and NSF. The work at Sandia was performed, in part, at the Center for Integrated Nanotechnologies, a US Department of Energy, Office of Basic Energy Sciences, user facility. 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 National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 23 TC 1 Z9 1 U1 4 U2 11 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1866-6892 EI 1866-6906 J9 J INFRARED MILLIM TE JI J. Infrared Millim. Terahertz Waves PD DEC PY 2015 VL 36 IS 12 BP 1210 EP 1220 DI 10.1007/s10762-015-0210-4 PG 11 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA CZ6GA UT WOS:000367198000008 ER PT J AU Yun, D Mo, K Mohamed, W Ye, B Kirk, MA Baldo, P Xu, RQ Yacout, AM AF Yun, Di Mo, Kun Mohamed, Walid Ye, Bei Kirk, Marquis A. Baldo, Peter Xu, Ruqing Yacout, Abdellatif M. TI In situ TEM and synchrotron characterization of U-10Mo thin specimen annealed at the fast reactor temperature regime SO MATERIALS CHARACTERIZATION LA English DT Article DE Transmission electron microscopy; Synchrotron radiation; Recrystallization; U-Mo alloy fuel ID U-MO FUEL; DISPERSION FUEL; DIFFUSION BARRIER; RECRYSTALLIZATION; IRRADIATION; MICROSCOPY AB U-Mo metallic alloys have been extensively used for the Reduced Enrichment for Research and Test Reactors (RERTR) program, which is now known as the Office of Material Management and Minimization under the Conversion Program. This fuel form has also recently been proposed as fast reactor metallic fuels in the recent DOE Ultra-high Burnup Fast Reactor project. In order to better understand the behavior of U-10Mo fuels within the fast reactor temperature regime, a series of annealing and characterization experiments have been performed. Annealing experiments were performed in situ at the Intermediate Voltage Electron Microscope (IVEM-Tandem) facility at Argonne National Laboratory (ANL). An electro-polished U-10Mo alloy fuel specimen was annealed in situ up to 700 degrees C. At an elevated temperature of about 540 degrees C, the U-10Mo specimen underwent a relatively slow microstructure transition. Nano-sized grains were observed to emerge near the surface. At the end temperature of 700 degrees C, the near-surface microstructure had evolved to a nano-crystalline state. In order to clarify the nature of the observed microstructure, Laue diffraction and powder diffraction experiments were carried out at beam line 34-ID of the Advanced Photon Source (APS) at ANL Phases present in the as-annealed specimen were identified with both Laue diffraction and powder diffraction techniques. The U-10Mo was found to recrystallize due to thermally-induced recrystallization driven by a high density of pre-existing dislocations. A separate in situ annealing experiment was carried out with a Focused Ion Beam processed (FIB) specimen. A similar microstructure transition occurred at a lower temperature of about 460 degrees C with a much faster transition rate compared to the electro-polished specimen. (C) 2015 Elsevier Inc. All rights reserved. C1 [Yun, Di; Mo, Kun; Mohamed, Walid; Ye, Bei; Kirk, Marquis A.; Baldo, Peter; Xu, Ruqing; Yacout, Abdellatif M.] Argonne Natl Lab, Argonne, IL 60439 USA. [Yun, Di] Xi An Jiao Tong Univ, Xian 710049, Peoples R China. RP Yun, D (reprint author), Xi An Jiao Tong Univ, 28 Xian Ning West Rd, Xian 710049, Peoples R China. EM diyun1979@xjtu.edu.cn RI Yun, Di/K-6441-2013 OI Yun, Di/0000-0002-9767-3214 FU US Department of Energy [DE-AC02-06CH11357] FX The authors would like to thank Javier Figueroa from ANL for providing the original materials for this work, and Dr. Bo Yao for preparing the FIB-processed specimen. The authors are also grateful for the many useful discussions with Dr. G. L. Hofman and Dr. J. Rest from ANL regarding the scientific observations. The authors are particularly grateful for Dr. Jian Can for his comments on this work. This work was supported under the US Department of Energy Contract DE-AC02-06CH11357. NR 17 TC 0 Z9 0 U1 2 U2 4 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 1044-5803 EI 1873-4189 J9 MATER CHARACT JI Mater. Charact. PD DEC PY 2015 VL 110 BP 208 EP 214 DI 10.1016/j.matchar.2015.10.031 PG 7 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Materials Science, Characterization & Testing SC Materials Science; Metallurgy & Metallurgical Engineering GA CZ5AT UT WOS:000367115200026 ER PT J AU Sun, P Fang, ZZ Koopman, M Xia, Y Paramore, J Chandran, KSR Ren, Y Lu, J AF Sun, Pei Fang, Zhigang Zak Koopman, Mark Xia, Yang Paramore, James Chandran, K. S. Ravi Ren, Yang Lu, Jun TI Phase Transformations and Formation of Ultra-Fine Microstructure During Hydrogen Sintering and Phase Transformation (HSPT) Processing of Ti-6Al-4V SO METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE LA English DT Article ID TEMPORARY ALLOYING ELEMENT; POWDER-METALLURGY TITANIUM; MECHANICAL-PROPERTIES; FABRICATION; FEATURES AB The hydrogen sintering and phase transformation (HSPT) process is a novel powder metallurgy method for producing Ti alloys, particularly the Ti-6Al-4V alloy, with ultra-fine microstructure in the as-sintered state. The ultra-fine microstructure is obtained as a direct result of the use of H-2 gas during sintering. The refinement of the microstructure during HSPT is similar to that of thermal hydrogen processing (THP) of bulk Ti alloys. For both THP and HSPT of Ti-6Al-4V alloy, the mechanisms of the grain refinement depend on the phase equilibria and phase transformations in the presence of hydrogen, which are surprisingly still not well established to date and are still subjected to research and debate. In recent work by the present authors, a pseudo-binary phase diagram of (Ti-6Al-4V)-H has been determined by using in situ synchrotron XRD and TGA/DSC techniques. Aided by this phase diagram, the current paper focuses on the series of phase transformations during sintering and cooling of Ti-6Al-4V in a hydrogen atmosphere and the mechanisms for the formation of the ultra-fine microstructures obtained. Using experimental techniques, including in situ synchrotron XRD, SEM, EBSD, and TEM, the microstructural refinement was found to be the result of (1) the precipitation of ultra-fine alpha/alpha(2) within coarse beta grains during an isothermal hold at intermediate temperatures, and (2) the eutectoid transformation of beta -> alpha + delta d at approximately 473 K (200 degrees C). (C) The Minerals, Metals & Materials Society and ASM International 2015 C1 [Sun, Pei; Fang, Zhigang Zak; Koopman, Mark; Paramore, James; Chandran, K. S. Ravi] Univ Utah, Dept Met Engn, Salt Lake City, UT 84112 USA. [Ren, Yang] Argonne Natl Lab, Xray Sci Div, Adv Photon Source, Lemont, IL 60439 USA. [Lu, Jun] Argonne Natl Lab, Chem Sci & Engn Div, Lemont, IL 60439 USA. RP Fang, ZZ (reprint author), Univ Utah, Dept Met Engn, Salt Lake City, UT 84112 USA. EM zak.fang@utah.edu OI Sun, Pei/0000-0002-1686-8037 FU U.S. Department of Energy, Innovative Manufacturing Initiative, through the Advanced Manufacturing Office [DEEE0005761]; Office of Energy Efficiency and Renewable Energy; U.S. DOE [DE-AC02-06CH11357] FX The authors acknowledge funding support by the U.S. Department of Energy, Innovative Manufacturing Initiative (DEEE0005761), through the Advanced Manufacturing Office and the Office of Energy Efficiency and Renewable Energy. Use of the Advanced Photon Source, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science by Argonne National Laboratory, was supported by the U.S. DOE under Contract No. DE-AC02-06CH11357. The first author acknowledges the valuable assistance of Dr. Xiangyi Luo, Mr. Chun Yu, and Mr. Rick Spence for synchrotron X-ray experiments at Argonne National Lab, and the help of Dr. Paulo Perez and Dr. Matt Nowell for collecting EBSD data. NR 47 TC 2 Z9 2 U1 1 U2 7 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1073-5623 EI 1543-1940 J9 METALL MATER TRANS A JI Metall. Mater. Trans. A-Phys. Metall. Mater. Sci. PD DEC PY 2015 VL 46A IS 12 BP 5546 EP 5560 DI 10.1007/s11661-015-3141-8 PG 15 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA CZ1YU UT WOS:000366902900010 ER PT J AU Carson, CG Haljasmaa, IV AF Carson, Cantwell G. Haljasmaa, Igor V. TI Proper calculation of a modulation half cycle from the Allan deviation SO METROLOGIA LA English DT Article DE Allan deviation; frequency modulation; time-keeping ID STANDARDS AB The Allan deviation is commonly used to determine the long term stability and precision of oscillators or otherwise continuous measurements. When periodic, fixed frequency modulation is present, it has been previously stated that the resulting peak in the estimate coincides with the half cycle of the modulation period. However, this peak is located at similar to 74.2% of the actual half cycle. In this work, we provide a generalized derivation of the modulation half cycle time constant from the Allan deviation estimate. Furthermore, the peak locations for the Hadamard, Modified Allan, and time deviations are shown to be approximately 84.2, 61.0, and 84.2%, respectively of the modulation half cycle time constants. C1 [Carson, Cantwell G.; Haljasmaa, Igor V.] Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. RP Carson, CG (reprint author), Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. EM carsonc@netl.doe.gov FU National Energy Technology Laboratory Research Participation Program; US Department of Energy FX This research was supported in part by an appointment to the National Energy Technology Laboratory Research Participation Program, sponsored by the US Department of Energy and administered by the Oak Ridge Institute for Science and Education. NR 7 TC 0 Z9 0 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0026-1394 EI 1681-7575 J9 METROLOGIA JI Metrologia PD DEC PY 2015 VL 52 IS 6 BP L31 EP L33 DI 10.1088/0026-1394/52/6/L31 PG 3 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA CZ1WW UT WOS:000366897600002 ER PT J AU Sykulev, Y Anikeeva, N Blanchatte, C Fischer, N AF Sykulev, Yuri Anikeeva, Nadia Blanchatte, Craig Fischer, Nick TI Nanolipoprotein discoidal bilayers as membrane mimetics of MHC clustering SO MOLECULAR IMMUNOLOGY LA English DT Meeting Abstract CT 8th International Workshop on Antigen Processing and Presentation CY JUN 10-13, 2014 CL Philadelphia, PA C1 [Sykulev, Yuri; Anikeeva, Nadia] Thomas Jefferson Univ, Dept Microbiol & Immunol, Philadelphia, PA 19107 USA. [Sykulev, Yuri; Anikeeva, Nadia] Thomas Jefferson Univ, Kimmel Canc Ctr, Philadelphia, PA 19107 USA. [Blanchatte, Craig; Fischer, Nick] Lawrence Livermore Natl Lab, Livermore, CA USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0161-5890 J9 MOL IMMUNOL JI Mol. Immunol. PD DEC PY 2015 VL 68 IS 2 BP 138 EP 138 PN A PG 1 WC Biochemistry & Molecular Biology; Immunology SC Biochemistry & Molecular Biology; Immunology GA CZ0AO UT WOS:000366767700034 ER PT J AU Wieder, WR Cleveland, CC Smith, WK Todd-Brown, K AF Wieder, William R. Cleveland, Cory C. Smith, W. Kolby Todd-Brown, Katherine TI Reply to 'Land unlikely to become large carbon source' SO NATURE GEOSCIENCE LA English DT Letter C1 [Wieder, William R.] Natl Ctr Atmospher Res, Climate & Global Dynam Div, Boulder, CO 80307 USA. [Wieder, William R.] Univ Colorado, Inst Arct & Alpine Res, Boulder, CO 80309 USA. [Cleveland, Cory C.] Univ Montana, Dept Ecosyst & Conservat Sci, Missoula, MT 59812 USA. [Smith, W. Kolby] Univ Minnesota, Inst Environm, St Paul, MN 55108 USA. [Todd-Brown, Katherine] Pacific NW Natl Lab, Biol Sci Div, Richland, WA 99354 USA. RP Wieder, WR (reprint author), Natl Ctr Atmospher Res, Climate & Global Dynam Div, POB 3000, Boulder, CO 80307 USA. EM wwieder@ucar.edu OI WIEDER, WILLIAM/0000-0001-7116-1985 NR 4 TC 0 Z9 0 U1 2 U2 9 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 1752-0894 EI 1752-0908 J9 NAT GEOSCI JI Nat. Geosci. PD DEC PY 2015 VL 8 IS 12 BP 893 EP 894 PG 2 WC Geosciences, Multidisciplinary SC Geology GA CZ6GW UT WOS:000367200200003 ER PT J AU Liu, XJ Han, Y Evans, JW Engstfeld, AK Behm, RJ Tringides, MC Hupalo, M Lin, HQ Huang, L Ho, KM Appy, D Thiel, PA Wang, CZ AF Liu, Xiaojie Han, Yong Evans, James W. Engstfeld, Albert K. Behm, R. Juergen Tringides, Michael C. Hupalo, Myron Lin, Hai-Qing Huang, Li Ho, Kai-Ming Appy, David Thiel, Patricia A. Wang, Cai-Zhuang TI Growth morphology and properties of metals on graphene SO PROGRESS IN SURFACE SCIENCE LA English DT Review DE Graphene; Metal adsorption on graphene; Growth morphology; Metal-graphene interaction; Metal nanoclusters; Thermal stability ID FEW-LAYER GRAPHENE; CHEMICAL-VAPOR-DEPOSITION; LITHIUM-ION BATTERIES; DEPENDENT MORPHOLOGIES; INTERCALATION COMPOUNDS; ELECTRONIC-PROPERTIES; CATALYTIC-PROPERTIES; UNDERNEATH GRAPHENE; BIMETALLIC CLUSTERS; EPITAXIAL GRAPHENE AB Graphene, a single atomic layer of graphite, has been the focus of recent intensive studies due to its novel electronic and structural properties. Metals grown on graphene also have been of interest because of their potential use as metal contacts in graphene devices, for spintronics applications, and for catalysis. All of these applications require good understanding and control of the metal growth morphology, which in part reflects the strength of the metal graphene bond. Also of importance is whether the interaction between graphene and metal is sufficiently strong to modify the electronic structure of graphene. In this review, we will discuss recent experimental and computational studies related to deposition of metals on graphene supported on various substrates (SiC, SiO2, and hexagonal close-packed metal surfaces). Of specific interest are the metal graphene interactions (adsorption energies and diffusion barriers of metal adatoms), and the crystal structures and thermal stability of the metal nanoclusters. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Liu, Xiaojie] NE Normal Univ, Ctr Quantum Sci, Changchun 130117, Peoples R China. [Liu, Xiaojie] NE Normal Univ, Sch Phys, Changchun 130117, Peoples R China. [Han, Yong; Evans, James W.; Tringides, Michael C.; Ho, Kai-Ming] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Han, Yong; Evans, James W.; Tringides, Michael C.; Hupalo, Myron; Ho, Kai-Ming; Appy, David; Thiel, Patricia A.; Wang, Cai-Zhuang] Iowa State Univ, Ames Lab, US DOE, Ames, IA 50011 USA. [Engstfeld, Albert K.; Behm, R. Juergen] Univ Ulm, Inst Surface Chem & Catalysis, D-89069 Ulm, Germany. [Lin, Hai-Qing] Beijing Computat Sci Res Ctr, Beijing 100084, Peoples R China. [Huang, Li] South Univ Sci & Technol China, Dept Phys, Shenzhen 518055, Peoples R China. [Appy, David; Thiel, Patricia A.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. [Thiel, Patricia A.] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA. RP Wang, CZ (reprint author), Iowa State Univ, Ames Lab, US DOE, Ames, IA 50011 USA. FU US Department of Energy, Basic Energy Sciences, Division of Materials Science and Engineering; NSF Grant [CHE-1111500, DMR-1504593]; Baden-Wurttemburg-Stiftung via Competence Network "Functional Nanostructures"; DFG [Be 1201/18-1]; "Fond national de la recherche" Luxembourg [PHD09-13]; National Natural Science Foundation of China [11204013]; China Postdoctoral Science Foundation [2013T60056] FX Work at Ames Laboratory was supported by the US Department of Energy, Basic Energy Sciences, Division of Materials Science and Engineering, including a grant of computer time at the National Energy Research Scientific Computing Centre (NERSC) in Berkeley, CA under Contract No. DE-AC02-07CH11358. YH and JE were supported for the analysis of metal NCs on metal-supported graphene by NSF Grant CHE-1111500 and DMR-1504593. AKE and RJB were supported by the Baden-Wurttemburg-Stiftung via the Competence Network "Functional Nanostructures" and by the DFG via the Research Group 1376 (Be 1201/18-1). AKE acknowledges a fellowship from the "Fond national de la recherche" Luxembourg (PHD09-13). XL also acknowledges the support by the National Natural Science Foundation of China under Grant No. 11204013 and the China Postdoctoral Science Foundation under Grant No. 2013T60056. NR 214 TC 15 Z9 15 U1 52 U2 148 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0079-6816 J9 PROG SURF SCI JI Prog. Surf. Sci. PD DEC PY 2015 VL 90 IS 4 BP 397 EP 443 DI 10.1016/j.progsurf.2015.07.001 PG 47 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA CZ2UA UT WOS:000366958900001 ER PT J AU Coventry, J Andraka, C Pye, J Blanco, M Fisher, J AF Coventry, J. Andraka, C. Pye, J. Blanco, M. Fisher, J. TI A review of sodium receiver technologies for central receiver solar power plants SO SOLAR ENERGY LA English DT Review DE Sodium; Receiver; CSP; Central receiver; Solar; Review ID HEAT-TRANSFER FLUIDS; FAST-REACTOR; TEMPERATURE; OPERATION; DESIGN; SYSTEMS; METAL AB This paper examines the potential of sodium receivers to increase the overall solar-to-electricity efficiency of central receiver solar power plants, also known as solar tower systems. It re-visits some of the key outcomes and conclusions from past sodium receiver experiments, in particular those at Sandia National Laboratories and Plataforma Solar de Almeria in the 1980s, and discusses some current development activities in the area. It also discusses research in sodium receivers with a liquid vapour phase change (heat pipes and pool boilers), to explore whether technologies developed for dish-Stirling systems have applicability for solar tower systems. Lessons learnt from experience in the nuclear industry with liquid sodium systems are discussed in the context of safety risks. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Coventry, J.; Pye, J.] Australian Natl Univ, Res Sch Engn, Canberra, ACT 0200, Australia. [Andraka, C.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Blanco, M.] CSIRO Energy Flagship, Mayfield West, NSW 2304, Australia. [Fisher, J.] Vast Solar, Sydney, NSW 2000, Australia. RP Coventry, J (reprint author), Australian Natl Univ, Res Sch Engn, GPO Box 4, Canberra, ACT 0200, Australia. EM joe.coventry@anu.edu.au RI Blanco Muriel, Manuel/K-7648-2013 OI Blanco Muriel, Manuel/0000-0003-2800-9886 FU Australian Government, through the Australian Renewable Energy Agency (ARENA); U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This review was performed as part of the Australian Solar Thermal Research Initiative (ASTRI), a project supported by the Australian Government, through the Australian Renewable Energy Agency (ARENA). Responsibility for the views, information or advice expressed herein is not accepted by the Australian Government. 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 66 TC 4 Z9 4 U1 1 U2 9 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0038-092X J9 SOL ENERGY JI Sol. Energy PD DEC PY 2015 VL 122 BP 749 EP 762 DI 10.1016/j.solener.2015.09.023 PG 14 WC Energy & Fuels SC Energy & Fuels GA CZ4XX UT WOS:000367107500067 ER PT J AU Dussault, JM Kohler, C Goudey, H Hart, R Gosselin, L Selkowitz, SE AF Dussault, Jean-Michel Kohler, Christian Goudey, Howdy Hart, Robert Gosselin, Louis Selkowitz, Stephen E. TI Development and assessment of a low cost sensor for solar heat flux measurements in buildings SO SOLAR ENERGY LA English DT Article DE Solar irradiance; Solar heat flux; Heat transfer; Solar sensor; Smart window ID OF-THE-ART AB This paper presents a new type of low cost solar sensor, i.e. a black and white sensor (BWS). The BWS uses the difference in temperature of a white surface (solar energy highly reflected) and a black surface (solar energy highly absorbed) to estimate the solar heat flux through building openings. Results are obtained through a correlation based on a thermal model of the sensor. The correlation contains calibration factors determined from an initial on-site calibration. Results of estimated solar heat flux with two designs of the BWS over two different periods of time were compared with solar measurements of a high precision pyranometer. The two designs of BWS have shown mean weighted relative errors over the sampling periods under 4% for the daily integrated solar energy measured. Finally, a sensitivity analysis of the calibration period was conducted and it was observed that ideal calibration period should consider at least half a day of measurements, including solar peak time, and should be done during clear sky conditions. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Dussault, Jean-Michel; Gosselin, Louis] Univ Laval, Dept Mech Engn, Quebec City, PQ, Canada. [Dussault, Jean-Michel; Kohler, Christian; Goudey, Howdy; Hart, Robert; Selkowitz, Stephen E.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Windows & Envelope Mat Grp, Berkeley, CA 94720 USA. RP Gosselin, L (reprint author), Pavillon Adrien Pouliot,Local 1508-D,1065 Ave Med, Quebec City, PQ G1V 0A9, Canada. EM Louis.Gosselin@gmc.ulaval.ca FU Natural Sciences and Engineering Research Council of Canada (NSERC); Assistant Secretary for Energy Efficiency and Renewable Energy, Building Technologies Program, of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by the Natural Sciences and Engineering Research Council of Canada (NSERC) and by the Assistant Secretary for Energy Efficiency and Renewable Energy, Building Technologies Program, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 19 TC 1 Z9 1 U1 5 U2 9 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0038-092X J9 SOL ENERGY JI Sol. Energy PD DEC PY 2015 VL 122 BP 795 EP 803 DI 10.1016/j.solener.2015.09.033 PG 9 WC Energy & Fuels SC Energy & Fuels GA CZ4XX UT WOS:000367107500071 ER PT J AU Zhang, J Hodge, BM Lu, SY Hamann, HF Lehman, B Simmons, J Campos, E Banunarayanan, V Black, J Tedesco, J AF Zhang, Jie Hodge, Bri-Mathias Lu, Siyuan Hamann, Hendrik F. Lehman, Brad Simmons, Joseph Campos, Edwin Banunarayanan, Venkat Black, Jon Tedesco, John TI Baseline and target values for regional and point PV power forecasts: Toward improved solar forecasting SO SOLAR ENERGY LA English DT Article DE Numerical weather prediction; Operating reserve; Ramp forecasting; PV power forecasting ID IRRADIANCE FORECASTS; GRID INTEGRATION; PREDICTION; RADIATION; US AB Accurate solar photovoltaic (PV) power forecasting allows utilities to reliably utilize solar resources on their systems. However, to truly measure the improvements that any new solar forecasting methods provide, it is important to develop a methodology for determining baseline and target values for the accuracy of solar forecasting at different spatial and temporal scales. This paper aims at developing a framework to derive baseline and target values for a suite of generally applicable, value-based, and custom-designed solar forecasting metrics. The work was informed by close collaboration with utility and independent system operator partners. The baseline values are established based on state-of-the-art numerical weather prediction models and persistence models in combination with a radiative transfer model. The target values are determined based on the reduction in the amount of reserves that must be held to accommodate the uncertainty of PV power output. The proposed reserve-based methodology is a reasonable and practical approach that can be used to assess the economic benefits gained from improvements in accuracy of solar forecasting. The financial baseline and targets can be translated back to forecasting accuracy metrics and requirements, which will guide research on solar forecasting improvements toward the areas that are most beneficial to power systems operations. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Zhang, Jie; Hodge, Bri-Mathias] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Lu, Siyuan; Hamann, Hendrik F.] IBM TJ Watson Res Ctr, Yorktown Hts, NY 10598 USA. [Lehman, Brad] Northeastern Univ, Boston, MA 02115 USA. [Simmons, Joseph] Univ Arizona, Tucson, AZ 85721 USA. [Campos, Edwin] Argonne Natl Lab, Argonne, IL 60439 USA. [Banunarayanan, Venkat] US DOE, Washington, DC 20585 USA. [Black, Jon] ISO New England, Holyoke, MA 01040 USA. [Tedesco, John] Green Mt Power, Colchester, VT 05446 USA. RP Zhang, J (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM jie.zhang@nrel.gov OI Campos, Edwin/0000-0003-3766-7485 FU U.S. Department of Energy [DE-AC36-08-GO28308]; National Renewable Energy Laboratory FX This work was supported by the U.S. Department of Energy under Contract No. DE-AC36-08-GO28308 with the National Renewable Energy Laboratory, as part of the project work performed under the SunShot Initiative's Improving the Accuracy of Solar Forecasting program. Valuable comments from the utility partners (California-ISO and Tucson Electric Power) are gratefully acknowledged. NR 38 TC 4 Z9 4 U1 3 U2 7 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0038-092X J9 SOL ENERGY JI Sol. Energy PD DEC PY 2015 VL 122 BP 804 EP 819 DI 10.1016/j.solener.2015.09.047 PG 16 WC Energy & Fuels SC Energy & Fuels GA CZ4XX UT WOS:000367107500072 ER PT J AU Marion, B AF Marion, Bill TI A model for deriving the direct normal and diffuse horizontal irradiance from the global tilted irradiance SO SOLAR ENERGY LA English DT Article DE Direct and diffuse irradiance; Global tilted irradiance; Model ID SOLAR-RADIATION AB A separation model was developed for deriving the direct normal irradiance (DNI) and the diffuse horizontal irradiance (DHI) from the global tilted irradiance (GTI). The model is based on the DIRINT model, but substitutes the use of the GTI in place of the global horizontal irradiance (GHI) for determining the global clearness index (K-t). Additionally, an iterative method is used to adjust K-t to improve the derived values of the DNI and the DHI. The model is referred to as the GTI-DIRINT model. When using for model input the GTI measured with a pyranometer tilted at a small angle from the horizontal (10 degrees), the deviations between the measured DNI and DHI and the GTI-DIRINT-modeled DNI and DHI were essentially the same as those for the DIRINT model when using the GHI for model input. Increasing the tilt angle from horizontal (as great as 44 degrees for Eugene, Oregon) increased the deviations between the modeled and measured DNI and DHI, but the results were still reasonable. The GTI-DIRINT model provides reasonable values of DNI and DHI from the GTI, and if they are subsequently used with the Perez tilted surface model to model the GTI for orientations within 30 degrees of the azimuth and tilt of the GTI used for model input, the result is as good or better than may be obtained when using a measured DNI and DHI, and without their significant instrumentation cost. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Marion, Bill] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Marion, B (reprint author), 15013 Denver West Pkwy, Golden, CO 80401 USA. EM bill.marion@nrel.gov FU U.S. Department of Energy [DE-AC36-08-GO28308]; National Renewable Energy Laboratory (NREL) FX This work was supported by the U.S. Department of Energy under Contract No. DE-AC36-08-GO28308 with the National Renewable Energy Laboratory (NREL). The author is thankful for the efforts of Stephen Barkaszi and Mark Jacobs (Florida Solar Energy Center) who performed the irradiance measurements in Cocoa, Florida; Frank Vignola, Rich Kessler, and Josh Peterson (University of Oregon) who performed the irradiance measurements in Eugene, Oregon; and Bill Sekulic, Jose Rodriguez, and Greg Perrin (NREL) who performed the irradiance measurements in Golden, Colorado. NR 20 TC 3 Z9 3 U1 2 U2 7 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0038-092X J9 SOL ENERGY JI Sol. Energy PD DEC PY 2015 VL 122 BP 1037 EP 1046 DI 10.1016/j.solener.2015.10.024 PG 10 WC Energy & Fuels SC Energy & Fuels GA CZ4XX UT WOS:000367107500091 ER PT J AU Lee, ES Gehbauer, C Coffey, BE McNeil, A Stadler, M Marnay, C AF Lee, Eleanor S. Gehbauer, Christoph Coffey, Brian E. McNeil, Andrew Stadler, Michael Marnay, Chris TI Integrated control of dynamic facades and distributed energy resources for energy cost minimization in commercial buildings SO SOLAR ENERGY LA English DT Article DE Distributed energy resources; Demand side management; Zero net energy buildings; Dynamic windows; Control optimization ID OPTIMIZATION AB Controllable window, shading, and daylighting technologies provide an interesting opportunity to manage end use demands on distributed energy resources (DER) in ways that both complements the peak output profile of solar photovoltaic (PV) electricity generation and counteracts the peak demands on the utility grid produced by daytime commercial activities. The objective of this study is to explore whether dynamic facade technologies can play an enabling role in supporting a desired level of electricity service at either minimum operating cost or minimum carbon footprint through optimized integrated control with distributed energy resources. A proof-of-concept control system was developed by approximating non-linearities as piecewise-linear and determining the control state of both the demand and supply side components through global optimization. Annual simulations of a south-facing office zone with switchable electrochromic windows, solar photovoltaic electricity generation, and battery storage indicated that with optimized integrated demand supply side controls, the utility grid load profile could be lowered to nearly zero demand (5 W/m(2)) during the daytime when energy costs are highest. A full-scale outdoor field test in Berkeley, California verified this performance, demonstrating that during a week of sunny winter weather, electricity bills could be reduced by 63% compared to heuristic control of electrochromic windows without the photovoltaics and electrical storage. In both the simulated and measured cases, the photovoltaic system was sized to meet the peak perimeter zone load and the electrical storage was sized to be fully discharged by the end of the peak day. Technical and market challenges for achieving reliable optimal control for widespread applications are discussed. Published by Elsevier Ltd. C1 [Lee, Eleanor S.; Gehbauer, Christoph; Coffey, Brian E.; McNeil, Andrew] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Bldg Technol & Urban Syst Div, Energy Technol Area, Berkeley, CA 94720 USA. [Stadler, Michael] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Energy Technol Area, Energy Storage & Distributed Resources Div, Berkeley, CA 94720 USA. [Marnay, Chris] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Energy Technol Area, Energy Anal & Environm Impacts Div, Berkeley, CA 94720 USA. RP Lee, ES (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mailstop 90-3111,1 Cyclotron Rd, Berkeley, CA 94720 USA. EM eslee@lbl.gov FU Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Building Technology, State and Community Programs, Office of Building Research and Standards of the U.S. Department of Energy [DE-AC02-05CH11231]; California Energy Commission through its Public Interest Energy Research (PIER) Program on behalf of the citizens of California FX This work was supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Building Technology, State and Community Programs, Office of Building Research and Standards of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231 and by the California Energy Commission through its Public Interest Energy Research (PIER) Program on behalf of the citizens of California. NR 19 TC 0 Z9 0 U1 5 U2 17 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0038-092X J9 SOL ENERGY JI Sol. Energy PD DEC PY 2015 VL 122 BP 1384 EP 1397 DI 10.1016/j.solener.2015.11.003 PG 14 WC Energy & Fuels SC Energy & Fuels GA CZ4XX UT WOS:000367107500122 ER PT J AU Zhu, XJ Su, M Manickam, K Zhang, WJ AF Zhu, Xuejun Su, Michael Manickam, Kadhirvel Zhang, Wenjun TI Bacterial Genome Mining of Enzymatic Tools for Alkyne Biosynthesis SO ACS CHEMICAL BIOLOGY LA English DT Article ID CYANOBACTERIUM LYNGBYA-MAJUSCULA; III POLYKETIDE SYNTHASE; ESCHERICHIA-COLI; NATURAL-PRODUCTS; CLICK CHEMISTRY; ACID SYNTHESIS; SYSTEMS; STRAIN; GENES AB The alkyne is an important functionality widely used in material science, pharmaceutical science, and chemical biology, but the importance of this functionality is contrasted by the-very limited number of enzymes known to be involved in alkyne biosynthesis. We recently reported the first known carrier protein-dependent pathway for terminal alkyne formation, and in silk analysis suggested that this mechanism could be widespread in bacteria. In this paper, we screened additional homologous gene cassettes presumed to be involved in alkyne biosynthesis using both in vitro biochemical study and an E. coli-polyketide synthase (PKS) reporting system for in vivo analysis. We discovered and characterized a new terminal alkyne biosynthetic pathway comprised of TtuA, -B, and -C from Teredinibacter turnerae T7901. While the acyl-CoA ligase homologue (TtuA) demonstrated promiscuity in the activation and loading of medium-chain fatty acids onto the carrier protein (TtuC), the desaturase homologue (TtuB) showed stringent substrate specificity toward C-10 fatty acyl moieties. In addition, TtuB was demonstrated to be a bifunctional desaturase/acetylenase that efficiently catalyzed two sequential O-2-dependent dehydrogenation reactions. A novel terminal-alkyne bearing polyketide was further produced upon coexpression of ttuABC and a PKS gene in E. coli. The discovery and characterization of TtuA, -B, and -C provides us with a new bifunctional desaturase/acetylenase for mechanistic and structural study and expands the scarce enzyme inventory for the biosynthesis of the alkyne functionality, which has important applications in synthetic and chemical biology. C1 [Zhu, Xuejun; Su, Michael; Zhang, Wenjun] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. [Manickam, Kadhirvel] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. [Zhang, Wenjun] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Zhang, WJ (reprint author), Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. EM wjzhang@berkeley.edu FU Pew Scholars Program; National Institutes of Health [DP2AT009148] FX This research was financially supported by the Pew Scholars Program and the National Institutes of Health (DP2AT009148). We thank I. Abe (the University of Tokyo) for providing hspks1, J. Zhan (Utah State University) for providing csyA, H. Zhao (the University of Illinois, Urbana-Champaign) for providing oras, and M. Chang (UC Berkeley) for providing pSV272.1. We also thank S. Bauer (UC Berkeley) for assisting with LC-HRMS analysis, J. Pelton (UC Berkeley) for helping with NMR spectroscopic analysis, and J. Liu (UC Berkeley) for valuable suggestions in the preparation of the manuscript. NR 28 TC 5 Z9 5 U1 5 U2 34 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1554-8929 EI 1554-8937 J9 ACS CHEM BIOL JI ACS Chem. Biol. PD DEC PY 2015 VL 10 IS 12 BP 2785 EP 2793 DI 10.1021/acschembio.5b00641 PG 9 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA CZ1OO UT WOS:000366875400014 PM 26441143 ER PT J AU Kerfeld, CA AF Kerfeld, Cheryl A. TI Plug-and-play for improving primary productivity SO AMERICAN JOURNAL OF BOTANY LA English DT Editorial Material DE modularity; synthetic biology; carboxysome; RuBisCO; photorespiration ID RUBISCO; BIOLOGY C1 [Kerfeld, Cheryl A.] Michigan State Univ, MSU DOE Plant Res Lab, E Lansing, MI 48824 USA. [Kerfeld, Cheryl A.] Michigan State Univ, Dept Biochem & Mol Biol, E Lansing, MI 48824 USA. [Kerfeld, Cheryl A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Kerfeld, Cheryl A.] Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA. [Kerfeld, Cheryl A.] Berkeley Synthet Biol Inst, Berkeley, CA 94720 USA. RP Kerfeld, CA (reprint author), Michigan State Univ, MSU DOE Plant Res Lab, E Lansing, MI 48824 USA. EM ckerfeld@lbl.gov NR 9 TC 2 Z9 2 U1 1 U2 4 PU BOTANICAL SOC AMER INC PI ST LOUIS PA PO BOX 299, ST LOUIS, MO 63166-0299 USA SN 0002-9122 EI 1537-2197 J9 AM J BOT JI Am. J. Bot. PD DEC PY 2015 VL 102 IS 12 BP 1949 EP 1950 DI 10.3732/ajb.1500409 PG 2 WC Plant Sciences SC Plant Sciences GA CY8WG UT WOS:000366688800001 PM 26656128 ER PT J AU Gartman, BN Qafoku, NP Szecsody, JE Kukkadapu, RK Wang, ZM Wellman, DM Truex, MJ AF Gartman, Brandy N. Qafoku, Nikolla P. Szecsody, James E. Kukkadapu, Ravi K. Wang, Zheming Wellman, Dawn M. Truex, Michael J. TI Uranium fate in Hanford sediment altered by simulated acid waste solutions SO APPLIED GEOCHEMISTRY LA English DT Article DE Uranium; Uranium contamination; Uranium sorption; Acid conditions; Hanford sediments ID VADOSE ZONE SEDIMENTS; HUMIC-ACID; OPALINUS CLAY; MOSSBAUER-SPECTROSCOPY; SUBSURFACE SEDIMENT; ADSORPTION; SORPTION; URANYL; COMPLEXATION; GOETHITE AB Infiltration of aqueous acidic waste to the subsurface may induce conditions that alter contaminant transport. Experiments were conducted to examine the effects of low pore water pH and associated changes to sediment properties on U(VI) behavior in sediments. Macroscopic batch experiments were combined with a variety of bulk characterization studies (Mossbauer and laser spectroscopy), micron-scale inspections (m-XRF), and molecular scale interrogations (XANES) with the objectives to: 1) determine the extent of U(VI) partitioning to Hanford sediments exposed to acidic waste simulants and held at pH = 2, pH = 5, or under neutral conditions (pH = 8) at varying ionic strength, and in the presence of air [bench-top (BT) experiments] or in the absence of air [glove-box (GB) experiments]; and 2) determine the uranium micron-scale solid phase and associated valence state resulting from the experimental conditions. The investigation showed minimal overall changes in Fe mineralogy as a result of sediment exposure to acid solutions, but an increase in the highly reactive nano Fe fraction of the sediment. Greater uranium partitioning was observed at pH = 5 than at pH = 2 and 8. The mu-XRF inspections and XANES analyses confirmed that high concentration areas on sediment surfaces were rich in U(VI) in the BT experiments, and both U(IV) and U(VI) in the GB experiments. The laser spectroscopy data showed that uranyl phosphates {e.g., metaautunite [Ca(UO2)(2)(PO4)(2)center dot 10-12H(2)O] and phosphuranylite [KCa(H3O)(3)(UO2)(7)(PO4)(4)O-4 center dot 8H(2)O]} may have formed in the BT experiments. In the GB experiments, in addition to U(IV) phases, U(VI) phases may have also formed similar to those that are naturally present in the sediment, but at higher concentrations. The results provide insights about U(VI) mobility beneath acidic waste disposal sites. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Gartman, Brandy N.; Qafoku, Nikolla P.; Szecsody, James E.; Kukkadapu, Ravi K.; Wang, Zheming; Wellman, Dawn M.; Truex, Michael J.] Pacific NW Natl Lab, Richland, WA 99354 USA. [Gartman, Brandy N.] ViZn Energy Syst Inc, Columbia Falls, MT 59912 USA. RP Qafoku, NP (reprint author), Pacific NW Natl Lab, POB 999,MSIN P7-54, Richland, WA 99354 USA. EM Nik.Qafoku@pnnl.gov RI Wang, Zheming/E-8244-2010; OI Wang, Zheming/0000-0002-1986-4357; Qafoku, Nikolla P./0000-0002-3258-5379 FU U.S. Department of Energy (DOE) Office of Environmental Management; Department of Energy (DOE) [DE-AC05-76RL01830]; U.S. DOE Office of Biological and Environmental Research; U.S. DOE Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; Richland Operations Office FX Funding for this work was provided by the U.S. Department of Energy (DOE) Office of Environmental Management and Richland Operations Office. The Pacific Northwest National Laboratory (PNNL) is operated by Battelle Memorial Institute for the Department of Energy (DOE) under Contract DE-AC05-76RL01830. The research presented in the paper was conducted in part in the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the U.S. DOE Office of Biological and Environmental Research and located at PNNL in Richland, WA, USA. Use of the Advanced Photon Source (APS) at the Argonne National Laboratory (ANL) is supported by the U.S. DOE Office of Science, Office of Basic Energy Sciences under contract DE-AC02-06CH11357. The authors appreciate the support and help of Dr. Steve Heald at APS/ANL during collection of the mu-XRF and XANES data. NR 61 TC 2 Z9 2 U1 4 U2 17 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0883-2927 J9 APPL GEOCHEM JI Appl. Geochem. PD DEC PY 2015 VL 63 BP 1 EP 9 DI 10.1016/j.apgeochem.2015.07.010 PG 9 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA CY2DU UT WOS:000366219800001 ER PT J AU Izbicki, JA Wright, MT Seymour, WA McCleskey, RB Fram, MS Belitz, K Esser, BK AF Izbicki, John A. Wright, Michael T. Seymour, Whitney A. McCleskey, R. Blaine Fram, Miranda S. Belitz, Kenneth Esser, Bradley K. TI Cr(VI) occurrence and geochemistry in water from public-supply wells in California SO APPLIED GEOCHEMISTRY LA English DT Article DE Groundwater; Chromium; Trace elements; Drinking water; California ID WESTERN MOJAVE DESERT; IN-GROUND WATER; HEXAVALENT CHROMIUM; NOBLE-GASES; ARTIFICIAL RECHARGE; SOUTHERN CALIFORNIA; SERPENTINE SOILS; DRINKING-WATER; NATURAL-WATERS; AQUIFER AB Hexavalent chromium, Cr(VI), in 918 wells sampled throughout California between 2004 and 2012 by the Groundwater Ambient Monitoring and Assessment-Priority Basin Project (GAMA-PBP) ranged from less than the study reporting limit of 1 microgram per liter (mg/L) to 32 mg/L. Statewide, Cr(VI) was reported in 31 percent of wells and equaled or exceeded the recently established (2014) California Maximum Contaminant Level (MCL) for Cr(VI) of 10 mg/L in 4 percent of wells. Cr(VI) data collected for regulatory purposes overestimated Cr(VI) occurrence compared to spatially-distributed GAMA-PBP data. Ninety percent of chromium was present as Cr(VI), which was detected more frequently and at higher concentrations in alkaline (pH >= 8), oxic water; and more frequently in agricultural and urban land uses compared to native land uses. Chemical, isotopic (tritium and carbon-14), and noble-gas data show high Cr(VI) in water from wells in alluvial aquifers in the southern California deserts result from long groundwater-residence times and geochemical reactions such as silicate weathering that increase pH, while oxic conditions persist. High Cr(VI) in water from wells in alluvial aquifers along the west-side of the Central Valley results from high-chromium in source rock eroded to form those aquifers, and areal recharge processes (including irrigation return) that can mobilize chromium from the unsaturated zone. Cr(VI) co-occurred with oxyanions having similar chemistry, including vanadium, selenium, and uranium. Cr(VI) was positively correlated with nitrate, consistent with increased concentrations in areas of agricultural land use and mobilization of chromium from the unsaturated zone by irrigation return. Published by Elsevier Ltd. C1 [Izbicki, John A.; Wright, Michael T.; Seymour, Whitney A.; McCleskey, R. Blaine; Fram, Miranda S.; Belitz, Kenneth] US Geol Survey, Reston, VA 20192 USA. [Esser, Bradley K.] Lawrence Livermore Natl Lab, Livermore, CA USA. RP Izbicki, JA (reprint author), US Geol Survey, Reston, VA 20192 USA. EM jaizbick@usgs.gov OI Fram, Miranda/0000-0002-6337-059X; McCleskey, Richard/0000-0002-2521-8052 FU California State Water Resources Control Board Groundwater Ambient Monitoring and Assessment-Priority Basin Project (GAMA-PBP) FX This study was funded as part of the California State Water Resources Control Board Groundwater Ambient Monitoring and Assessment-Priority Basin Project (GAMA-PBP). The authors thank the large number of participating well owners across the state that provided access to wells for sample collection. NR 89 TC 2 Z9 2 U1 7 U2 27 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0883-2927 J9 APPL GEOCHEM JI Appl. Geochem. PD DEC PY 2015 VL 63 BP 203 EP 217 DI 10.1016/j.apgeochem.2015.08.007 PG 15 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA CY2DU UT WOS:000366219800017 ER PT J AU Gallegos, TJ Campbell, KM Zielinski, RA Reimus, PW Clay, JT Janot, N Bargar, JR Benzel, WM AF Gallegos, T. J. Campbell, K. M. Zielinski, R. A. Reimus, P. W. Clay, J. T. Janot, N. Bargar, John R. Benzel, William M. TI Persistent U(IV) and U(VI) following in-situ recovery (ISR) mining of a sandstone uranium deposit, Wyoming, USA SO APPLIED GEOCHEMISTRY LA English DT Article DE Uranium; In-situ recovery; ISR; Uranium mining; Sandstone-hosted uranium deposit; Groundwater restoration ID RAY-ABSORPTION SPECTROSCOPY; MACKINAWITE; ADSORPTION; MINE; FERRIHYDRITE; REDUCTION; SORPTION; MODEL AB Drill-core samples from a sandstone-hosted uranium (U) deposit in Wyoming were characterized to determine the abundance and distribution of uranium following in-situ recovery (ISR) mining with oxygen-and carbon dioxide-enriched water. Concentrations of uranium, collected from ten depth intervals, ranged from 5 to 1920 ppm. A composite sample contained 750 ppm uranium with an average oxidation state of 54% U(VI) and 46% U(IV). Scanning electron microscopy (SEM) indicated rare high uranium (similar to 1000 ppm U) in spatial association with P/Ca and Si/O attributed to relict uranium minerals, possibly coffinite, uraninite, and autunite, trapped within low permeability layers bypassed during ISR mining. Fission track analysis revealed lower but still elevated concentrations of U in the clay/silica matrix and organic matter (several 10 s ppm) and yet higher concentrations associated with Fe-rich/S-poor sites, likely iron oxides, on altered chlorite or euhedral pyrite surfaces (but not on framboidal pyrite). Organic C (<1.62%), total S (<0.31%), and P (<0.03%) were in low abundance relative to the overall bulk composition. Microbial community analysis showed a diverse group of bacteria present with a wide range of putative metabolisms, and provides evidence for a variety of redox microenvironments coexisting in core samples. Although the uranium minerals persisting in low permeability areas in association with organic carbon were less affected by oxidizing solutions during mining, the likely sequestration of uranium within labile iron oxides following mining and sensitivity to changes in redox conditions requires careful attention during groundwater restoration. Published by Elsevier Ltd. C1 [Gallegos, T. J.] US Geol Survey, Reston, VA 20192 USA. [Campbell, K. M.] US Geol Survey, Boulder, CO 80303 USA. [Zielinski, R. A.; Benzel, William M.] US Geol Survey, Denver Fed Ctr, Denver, CO 80225 USA. [Reimus, P. W.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Clay, J. T.] Cameco Resources, Casper, WY 82601 USA. [Janot, N.; Bargar, John R.] Stanford Synchrotron Radiat Lightsource, Menlo Pk, CA 94025 USA. RP Gallegos, TJ (reprint author), US Geol Survey, 12201 Sunrise Valley Dr,Mail Stop 956, Reston, VA 20192 USA. EM tgallegos@usgs.gov; kcampbell@usgs.gov; rzielinski@usgs.gov; preimus@lanl.gov; James_Clay@cameco.com; noemie.janot@univ-lorraine.fr; bargar@slac.stanford.edu; wbenzel@usgs.gov FU Energy Resources Program; Toxic Substance Hydrology Program; National Research Program at the U.S. Geological Survey; DOE Office of Biological and Environmental Research, Subsurface Biogeochemistry Research (SBR) program via the SLAC SFA program [DE-AC02-76SF00515] FX Financial support for this research was provided by Energy Resources Program, the Toxic Substance Hydrology Program, and the National Research Program at the U.S. Geological Survey. Thanks to collaborators at Cameco/Power Resources for providing access to drill core and water quality information especially Larry Reimann, Christopher Stanbury and Katelynd Faler. Whole rock digests and XRD were performed at the USGS Crustal Geochemical Labs in Denver, CO. Thanks to Heather Lowers for assistance with SEM and EMP analyses. X-ray absorption was performed at the Stanford Synchrotron Radiation Lightsource, a facility operated by the Department of Energy Office of Basic Energy Sciences. Funding for Janot and Bargar was provided by the DOE Office of Biological and Environmental Research, Subsurface Biogeochemistry Research (SBR) program via the SLAC SFA program, under contract DE-AC02-76SF00515. Any use of trade, firm, or product names was for descriptive purposes only and does not imply endorsement by the U.S. Government. Neither the United States Government nor any agency thereof, nor any of its employees, make any warranty, expressed or implied, or assume any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed in this article, or represent that its use would not infringe privately owned rights. NR 43 TC 1 Z9 1 U1 9 U2 25 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0883-2927 J9 APPL GEOCHEM JI Appl. Geochem. PD DEC PY 2015 VL 63 BP 222 EP 234 DI 10.1016/j.apgeochem.2015.08.017 PG 13 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA CY2DU UT WOS:000366219800019 ER PT J AU Kessler, R Marriner, J Childress, M Covarrubias, R D'Andrea, CB Finley, DA Fischer, J Foley, RJ Goldstein, D Gupta, RR Kuehn, K Marcha, M Nichol, RC Papadopoulos, A Sako, M Scolnic, D Smith, M Sullivan, M Wester, W Yuan, F Abbott, T Abdalla, FB Allam, S Benoit-Levy, A Bernstein, GM Bertin, E Brooks, D Rosell, AC Kind, MC Castander, FJ Crocce, M Da Costa, LN Desai, S Diehl, HT Eifler, TF Neto, AF Flaugher, B Frieman, J Gerdes, DW Gruen, D Gruendl, RA Honscheid, K James, DJ Kuropatkin, N Li, TS Maia, MAG Marshall, JL Martini, P Miller, CJ Miquel, R Nord, B Ogando, R Plazas, AA Reil, K Romer, AK Roodman, A Sanchez, E Sevilla-Noarbe, I Smith, RC Soares-Santos, M Sobreira, F Tarle, G Thaler, J Thomas, RC Tucker, D Walker, AR AF Kessler, R. Marriner, J. Childress, M. Covarrubias, R. D'Andrea, C. B. Finley, D. A. Fischer, J. Foley, R. J. Goldstein, D. Gupta, R. R. Kuehn, K. Marcha, M. Nichol, R. C. Papadopoulos, A. Sako, M. Scolnic, D. Smith, M. Sullivan, M. Wester, W. Yuan, F. Abbott, T. Abdalla, F. B. Allam, S. Benoit-Levy, A. Bernstein, G. M. Bertin, E. Brooks, D. Rosell, A. Carnero Kind, M. Carrasco Castander, F. J. Crocce, M. Da Costa, L. N. Desai, S. Diehl, H. T. Eifler, T. F. Neto, A. Fausti Flaugher, B. Frieman, J. Gerdes, D. W. Gruen, D. Gruendl, R. A. Honscheid, K. James, D. J. Kuropatkin, N. Li, T. S. Maia, M. A. G. Marshall, J. L. Martini, P. Miller, C. J. Miquel, R. Nord, B. Ogando, R. Plazas, A. A. Reil, K. Romer, A. K. Roodman, A. Sanchez, E. Sevilla-Noarbe, I. Smith, R. C. Soares-Santos, M. Sobreira, F. Tarle, G. Thaler, J. Thomas, R. C. Tucker, D. Walker, A. R. CA DES Collaboration TI THE DIFFERENCE IMAGING PIPELINE FOR THE TRANSIENT SEARCH IN THE DARK ENERGY SURVEY SO ASTRONOMICAL JOURNAL LA English DT Article DE supernovae: general; techniques: image processing ID SUPERNOVA LEGACY SURVEY; IA SUPERNOVAE; COSMOLOGICAL CONSTRAINTS; PHOTOMETRIC REDSHIFTS; LIGHT CURVES; CALIBRATION; SEXTRACTOR; ALGORITHM; SOFTWARE; CATALOG AB We describe the operation and performance of the difference imaging pipeline (DiffImg) used to detect transients in deep images from the Dark Energy Survey Supernova program (DES-SN) in its first observing season from 2013 August through 2014 February. DES-SN is a search for transients in which ten 3 deg(2) fields are repeatedly observed in the g, r, i, z passbands with a cadence of about 1 week. The observing strategy has been optimized to measure high-quality light curves and redshifts for thousands of Type Ia supernovae (SNe Ia) with the goal of measuring dark energy parameters. The essential DiffImg functions are to align each search image to a deep reference image, do a pixel-by-pixel subtraction, and then examine the subtracted image for significant positive detections of point-source objects. The vast majority of detections are subtraction artifacts, but after selection requirements and image filtering with an automated scanning program, there are similar to 130 detections per deg(2) per observation in each band, of which only similar to 25% are artifacts. Of the similar to 7500 transients discovered by DES-SN in its first observing season, each requiring a detection on at least two separate nights, Monte Carlo (MC) simulations predict that 27% are expected to be SNe Ia or core-collapse SNe. Another similar to 30% of the transients are artifacts in which a small number of observations satisfy the selection criteria for a single-epoch detection. Spectroscopic analysis shows that most of the remaining transients are AGNs and variable stars. Fake SNe Ia are overlaid onto the images to rigorously evaluate detection efficiencies and to understand the DiffImg performance. The DiffImg efficiency measured with fake SNe agrees well with expectations from a MC simulation that uses analytical calculations of the fluxes and their uncertainties. In our 8 "shallow" fields with single-epoch 50% completeness depth similar to 23.5, the SN Ia efficiency falls to 1/2 at redshift z approximate to 0.7; in our 2 "deep" fields with mag-depth similar to 24.5, the efficiency falls to 1/2 at z approximate to 1.1. A remaining performance issue is that the measured fluxes have additional scatter (beyond Poisson fluctuations) that increases with the host galaxy surface brightness at the transient location. This bright-galaxy issue has minimal impact on the SNe Ia program, but it may lower the efficiency for finding fainter transients on bright galaxies. C1 [Kessler, R.; Scolnic, D.; Frieman, J.] Univ Chicago, Kavli Inst Cosmol Phys, Chicago, IL 60637 USA. [Kessler, R.; Frieman, J.] Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. [Marriner, J.; Finley, D. A.; Wester, W.; Allam, S.; Diehl, H. T.; Flaugher, B.; Frieman, J.; Kuropatkin, N.; Nord, B.; Soares-Santos, M.; Sobreira, F.; Tucker, D.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Childress, M.; Yuan, F.] Australian Natl Univ, ARC Ctr Excellence All sky Astrophys CAASTRO, Canberra, ACT 2611, Australia. [Childress, M.; Yuan, F.] Australian Natl Univ, Res Sch Astron & Astrophys, Canberra, ACT 2601, Australia. [Covarrubias, R.; Kind, M. Carrasco; Gruendl, R. A.] Univ Illinois, Natl Ctr Supercomp Applicat, Urbana, IL 61801 USA. [D'Andrea, C. B.; Nichol, R. C.; Papadopoulos, A.] Univ Portsmouth, Inst Cosmol & Gravitat, Portsmouth PO1 3FX, Hants, England. [Fischer, J.; Sako, M.; Bernstein, G. M.; Eifler, T. F.] Univ Penn, Dept Phys & Astron, Philadelphia, PA 19104 USA. [Foley, R. J.; Kind, M. Carrasco; Gruendl, R. A.; Sevilla-Noarbe, I.] Univ Illinois, Dept Astron, Urbana, IL 61801 USA. [Foley, R. J.; Thaler, J.] Univ Illinois, Dept Phys, Urbana, IL 61801 USA. [Goldstein, D.] Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. [Goldstein, D.; Thomas, R. C.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Gupta, R. R.] Argonne Natl Lab, Lemont, IL 60439 USA. [Kuehn, K.] Australian Astron Observ, N Ryde, NSW 2113, Australia. [Marcha, M.; Abdalla, F. B.; Benoit-Levy, A.; Brooks, D.] Univ London Univ Coll, Dept Phys & Astron, London WC1E 6BT, England. [Smith, M.; Sullivan, M.] Univ Southampton, Sch Phys & Astron, Southampton SO17 1BJ, Hants, England. [Abbott, T.; James, D. J.; Smith, R. C.; Walker, A. R.] Natl Opt Astron Observ, Cerro Tololo Inter Amer Observ, La Serena, Chile. [Abdalla, F. B.] Rhodes Univ, Dept Phys & Elect, ZA-6140 Grahamstown, South Africa. [Bertin, E.] Univ Paris 06, Sorbonne Univ, Inst Astrophys Paris, UMR 7095, F-75014 Paris, France. [Bertin, E.] Inst Astrophys, CNRS, UMR 7095, F-75014 Paris, France. [Rosell, A. Carnero; Da Costa, L. N.; Neto, A. Fausti; Maia, M. A. G.; Ogando, R.; Sobreira, F.] Lab Interinstituc E Astron LIneA, BR-20921400 Rio De Janeiro, RJ, Brazil. [Rosell, A. Carnero; Da Costa, L. N.; Maia, M. A. G.; Ogando, R.] Observatorio Nacl, BR-20921400 Rio De Janeiro, RJ, Brazil. [Castander, F. J.; Crocce, M.] IEEC CSIC, Fac Ciencias, Inst Ciencies Espai, E-08193 Barcelona, Spain. [Desai, S.] Univ Munich, Dept Phys, D-81679 Munich, Germany. [Desai, S.] Excellence Cluster Universe, D-85748 Garching, Germany. [Eifler, T. F.; Plazas, A. A.] CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. [Gerdes, D. W.; Miller, C. J.; Tarle, G.] Univ Michigan, Dept Phys, Ann Arbor, MI 48109 USA. [Gruen, D.] Max Planck Inst Extraterr Phys, D-85748 Garching, Germany. [Gruen, D.] Univ Munich, Univ Sternwarte, Fak Phys, D-81679 Munich, Germany. [Honscheid, K.; Martini, P.] Ohio State Univ, Ctr Cosmol & Astroparticle Phys, Columbus, OH 43210 USA. [Honscheid, K.] Ohio State Univ, Dept Phys, Columbus, OH 43210 USA. [Li, T. S.; Marshall, J. L.] Texas A&M Univ, George P & Cynthia Woods Mitchell Inst Fundamenta, College Stn, TX 77843 USA. [Li, T. S.; Marshall, J. L.] Texas A&M Univ, Dept Phys & Astron, College Stn, TX 77843 USA. [Martini, P.] Ohio State Univ, Dept Astron, Columbus, OH 43210 USA. [Miller, C. J.] Univ Michigan, Dept Astron, Ann Arbor, MI 48109 USA. [Miquel, R.] Univ Autonoma Barcelona, Inst Fis Altes Energies, E-08193 Barcelona, Spain. [Reil, K.; Roodman, A.] SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA. [Romer, A. K.] Univ Sussex, Dept Phys & Astron, Brighton BN1 9QH, E Sussex, England. [Roodman, A.] Stanford Univ, Kavli Inst Particle Astrophys & Cosmol, Stanford, CA 94305 USA. [Sanchez, E.; Sevilla-Noarbe, I.] CIEMAT, E-28040 Madrid, Spain. RP Kessler, R (reprint author), Univ Chicago, Kavli Inst Cosmol Phys, Chicago, IL 60637 USA. EM kessler@kicp.uchicago.edu RI Ogando, Ricardo/A-1747-2010; Sanchez, Eusebio/H-5228-2015; Sobreira, Flavia/F-4168-2015; OI Ogando, Ricardo/0000-0003-2120-1154; Sanchez, Eusebio/0000-0002-9646-8198; Sobreira, Flavia/0000-0002-7822-0658; Carrasco Kind, Matias/0000-0002-4802-3194; Goldstein, Daniel/0000-0003-3461-8661; Abdalla, Filipe/0000-0003-2063-4345; Sullivan, Mark/0000-0001-9053-4820; Tucker, Douglas/0000-0001-7211-5729 FU National Energy Research Scientific Computing Center (NERSC); Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231]; Australian Research Council Centre of Excellence for All-sky Astrophysics (CAASTRO) [CE110001020]; U.S. Department of Energy; U.S. National Science Foundation; Ministry of Science and Education of Spain; Science and Technology Facilities Council of the United Kingdom; Higher Education Funding Council for England; National Center for Supercomputing Applications at the University of Illinois at Urbana-Champaign; Kavli Institute of Cosmological Physics at the University of Chicago; Center for Cosmology and Astro-Particle Physics at the Ohio State University; Mitchell Institute for Fundamental Physics and Astronomy at Texas AM University; Financiadora de Estudos e Projetos; Fundacao Carlos Chagas Filho de Amparo a Pesquisa do Estado do Rio de Janeiro; Conselho Nacional de Desenvolvimento Cientifico e Tecnologico; Ministerio da Ciencia, Tecnologia e Inovacao; Deutsche Forschungsgemeinschaft; Collaborating Institutions in the Dark Energy Survey; National Science Foundation [AST-1138766]; MINECO [AYA2012-39559, ESP2013-48274, FPA2013-47986]; Centro de Excelencia Severo Ochoa [SEV-2012-0234]; European Union FX This research used resources of the National Energy Research Scientific Computing Center (NERSC), 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. Part of this research was conducted by the Australian Research Council Centre of Excellence for All-sky Astrophysics (CAASTRO), through project number CE110001020. Funding for the DES Projects has been provided by the U.S. Department of Energy, the U.S. National Science Foundation, the Ministry of Science and Education of Spain, the Science and Technology Facilities Council of the United Kingdom, the Higher Education Funding Council for England, the National Center for Supercomputing Applications at the University of Illinois at Urbana-Champaign, the Kavli Institute of Cosmological Physics at the University of Chicago, the Center for Cosmology and Astro-Particle Physics at the Ohio State University, the Mitchell Institute for Fundamental Physics and Astronomy at Texas A&M University, Financiadora de Estudos e Projetos, Fundacao Carlos Chagas Filho de Amparo a Pesquisa do Estado do Rio de Janeiro, Conselho Nacional de Desenvolvimento Cientifico e Tecnologico and the Ministerio da Ciencia, Tecnologia e Inovacao, the Deutsche Forschungsgemeinschaft and the Collaborating Institutions in the Dark Energy Survey. The DES data management system is supported by the National Science Foundation under Grant Number AST-1138766. The DES participants from Spanish institutions are partially supported by MINECO under grants AYA2012-39559, ESP2013-48274, FPA2013-47986, and Centro de Excelencia Severo Ochoa SEV-2012-0234, some of which include ERDF funds from the European Union. The Collaborating Institutions are Argonne National Laboratory, the University of California at Santa Cruz, the University of Cambridge, Centro de Investigaciones Energeticas, Medioambientales y Tecnologicas-Madrid, the University of Chicago, University College London, the DES-Brazil Consortium, the University of Edinburgh, the Eidgenossische Technische Hochschule (ETH) Zurich, Fermi National Accelerator Laboratory, the University of Illinois at Urbana-Champaign, the Institut de Ciencies de l'Espai (IEEC/CSIC), the Institut de Fisica d'Altes Energies, Lawrence Berkeley National Laboratory, the Ludwig-Maximilians Universitat Munchen and theassociated Excellence Cluster Universe, the University of Michigan, the National Optical Astronomy Observatory, the University of Nottingham, The Ohio State University, the University of Pennsylvania, the University of Portsmouth, SLAC National Accelerator Laboratory, Stanford University, the University of Sussex, and Texas A&M University. We are grateful for the extraordinary contributions of our CTIO colleagues and the DECam Construction, Commissioning and Science Verification teams in achieving the excellent instrument and telescope conditions that have made this work possible. The success of this project also relies critically on the expertise and dedication of the DES Data Management group. NR 47 TC 10 Z9 9 U1 0 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-6256 EI 1538-3881 J9 ASTRON J JI Astron. J. PD DEC PY 2015 VL 150 IS 6 AR 172 DI 10.1088/0004-6256/150/6/172 PG 18 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA CY7KZ UT WOS:000366588600007 ER PT J AU Myers, AD Palanque-Delabrouille, N Prakash, A Paris, I Yeche, C Dawson, KS Bovy, J Lang, D Schlegel, DJ Newman, JA Petitjean, P Kneib, JP Laurent, P Percival, WJ Ross, AJ Seo, HJ Tinker, JL Armengaud, E Brownstein, J Burtin, E Cai, Z Comparat, J Kasliwal, M Kulkarni, SR Laher, R Levitan, D McBride, CK McGreer, ID Miller, AA Nugent, P Ofek, E Rossi, G Ruan, J Schneider, DP Sesar, B Streblyanska, F Surace, J AF Myers, Adam D. Palanque-Delabrouille, Nathalie Prakash, Abhishek Paris, Isabelle Yeche, Christophe Dawson, Kyle S. Bovy, Jo Lang, Dustin Schlegel, David J. Newman, Jeffrey A. Petitjean, Patrick Kneib, Jean-Paul Laurent, Pierre Percival, Will J. Ross, Ashley J. Seo, Hee-Jong Tinker, Jeremy L. Armengaud, Eric Brownstein, Joel Burtin, Etienne Cai, Zheng Comparat, Johan Kasliwal, Mansi Kulkarni, Shrinivas R. Laher, Russ Levitan, David McBride, Cameron K. McGreer, Ian D. Miller, Adam A. Nugent, Peter Ofek, Eran Rossi, Graziano Ruan, John Schneider, Donald P. Sesar, Branimir Streblyanska, Fklina Surace, Jason TI THE SDSS-IV EXTENDED BARYON OSCILLATION SPECTROSCOPIC SURVEY: QUASAR TARGET SELECTION SO ASTROPHYSICAL JOURNAL SUPPLEMENT SERIES LA English DT Article DE catalogs; cosmology: observations; galaxies: distances and redshifts; galaxies: photometry; methods: data analysis; quasars: general ID DIGITAL-SKY-SURVEY; ACTIVE GALACTIC NUCLEI; INTERMEDIATE-REDSHIFT QUASARS; SURVEY PHOTOMETRIC SYSTEM; FAINT BLUE OBJECTS; BLACK-HOLE MASSES; 7TH DATA RELEASE; LY-ALPHA FOREST; LUMINOSITY FUNCTION; STELLAR OBJECTS AB As part of the Sloan Digital Sky Survey (SDSS) IV the extended Baryon Oscillation Spectroscopic Survey (eBOSS) will improve measurements of the cosmological distance scale by applying the Baryon Acoustic Oscillation (BAO) method to quasar samples. eBOSS will adopt two approaches to target quasars over 7500 deg(2). First, a "CORE" quasar sample will combine the optical selection in ugriz using a likelihood-based routine called XDQSOz, with a mid-IR-optical color cut. eBOSS CORE selection (to g < 22 or r < 22) should return similar to 70 deg(-2) quasars at redshifts 0.9 < z < 2.2 and similar to 7 deg(-2)z > 2.1 quasars. Second, a selection based on variability in multi-epoch imaging from the Palomar Transient Factory should recover an additional similar to 3-4 deg(-2)z > 2.1 quasars to g < 22.5 A linear model of how imaging systematics affect target density recovers the angular distribution of eBOSS CORE quasars over 96.7% (76.7%) of the SDSS north (south) Galactic Cap area. The eBOSS CORE quasar sample should thus be sufficiently dense and homogeneous over 0.9. <. z. <. 2.2 to yield the first few-percent-level BAO constraint near <(z)over bar> similar to 1.5. eBOSS quasars at z > 2.1 will be used to improve BAO measurements in the Ly alpha Forest. Beyond its key cosmological goals, eBOSS should be the next-generation quasar survey, comprising > 500,000 new quasars and >500,000 uniformly selected spectroscopically confirmed 0.9 < z < 2.2 quasars. At the conclusion of eBOSS, the SDSS will have provided unique spectra for more than 800,000 quasars. C1 [Myers, Adam D.] Univ Wyoming, Dept Phys & Astron, Laramie, WY 82071 USA. [Palanque-Delabrouille, Nathalie; Yeche, Christophe; Laurent, Pierre; Armengaud, Eric; Burtin, Etienne] CEA, Irfu SPP, Ctr Saclay, F-91191 Gif Sur Yvette, France. [Prakash, Abhishek; Newman, Jeffrey A.] Univ Pittsburgh, Dept Phys & Astron, Pittsburgh, PA 15260 USA. [Prakash, Abhishek; Newman, Jeffrey A.] Univ Pittsburgh, PITT PACC, Pittsburgh, PA 15260 USA. [Paris, Isabelle] Osserv Astron Trieste, INAF, I-34131 Trieste, IT, Italy. [Dawson, Kyle S.; Brownstein, Joel] Univ Utah, Dept Phys & Astron, Salt Lake City, UT 84112 USA. [Bovy, Jo] Univ Toronto, Dept Astron & Astrophys, Toronto, ON M5S 3H4, Canada. [Lang, Dustin] Carnegie Mellon Univ, Bruce & Astrid McWilliams Ctr Cosmol, Dept Phys, Pittsburgh, PA 15213 USA. [Schlegel, David J.; Nugent, Peter] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Petitjean, Patrick] UPMC, CNRS, Inst Astrophys Paris, UMR 7095, F-75014 Paris, France. [Kneib, Jean-Paul] Ecole Polytech Fed Lausanne, Observ Sauverny, Astrophys Lab, CH-1290 Versoix, Switzerland. [Kneib, Jean-Paul] Aix Marseille Univ, CNRS, LAM, UMR 7326, F-13388 Marseille, France. [Percival, Will J.; Ross, Ashley J.] Univ Portsmouth, Inst Cosmol & Gravitat, Portsmouth PO1 3FX, Hants, England. [Ross, Ashley J.] Ohio State Univ, Ctr Cosmol & AstroParticle Phys, Columbus, OH 43210 USA. [Seo, Hee-Jong] Ohio Univ, Dept Phys & Astron, Athens, OH 45701 USA. [Tinker, Jeremy L.] NYU, Ctr Cosmol & Particle Phys, Dept Phys, New York, NY 10003 USA. [Cai, Zheng; McGreer, Ian D.] Univ Arizona, Steward Observ, Tucson, AZ 85721 USA. [Comparat, Johan] Univ Autonoma Madrid, CSIC, Inst Fis Teor, E-28049 Madrid, Spain. [Kasliwal, Mansi] Carnegie Inst Sci, Observ, Pasadena, CA 91101 USA. [Kulkarni, Shrinivas R.; Miller, Adam A.] CALTECH, Pasadena, CA 91125 USA. [Laher, Russ; Surace, Jason] CALTECH, Spitzer Sci Ctr, Pasadena, CA 91125 USA. [Levitan, David] CALTECH, Div Phys Math & Astron, Pasadena, CA 91125 USA. [McBride, Cameron K.] Harvard Univ, Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. [Miller, Adam A.] CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. [Nugent, Peter] Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. [Ofek, Eran] Weizmann Inst Sci, Dept Particle Phys & Astrophys, IL-76100 Rehovot, Israel. [Rossi, Graziano] Sejong Univ, Dept Astron & Space Sci, Seoul 143747, South Korea. [Ruan, John] Univ Washington, Dept Astron, Seattle, WA 98195 USA. [Schneider, Donald P.] Penn State Univ, Dept Astron & Astrophys, Davey Lab 525, University Pk, PA USA. [Schneider, Donald P.] Penn State Univ, Inst Gravitat & Cosmos, University Pk, PA 16802 USA. [Sesar, Branimir] Max Planck Inst Astron, D-69117 Heidelberg, Germany. [Streblyanska, Fklina] IAC, E-38200 San Cristobal la Laguna, Tenerife, Spain. [Streblyanska, Fklina] Univ La Laguna, Dept Astrofis, E-38206 San Cristobal la Laguna, Tenerife, Spain. RP Myers, AD (reprint author), Univ Wyoming, Dept Phys & Astron, Laramie, WY 82071 USA. EM amyers14@uwyo.edu RI EPFL, Physics/O-6514-2016 FU Alexander von Humboldt Foundation at the Max-Planck-Institut fur Astronomie; NASA-ADAP awards [NNX12AI49G, NNX12AE38G]; NSF [1211112, 1515404]; ERC; National Aeronautics and Space Administration; Alfred P. Sloan Foundation; National Science Foundation; U.S. Department of Energy Office of Science; Center for High-Performance Computing at the University of Utah FX We are grateful for insightful discussions about quasar selection statistics with Joe Hennawi, David Hogg, and Gordon Richards. A.D.M. acknowledges a generous research fellowship from the Alexander von Humboldt Foundation at the Max-Planck-Institut fur Astronomie and was supported in part by NASA-ADAP awards NNX12AI49G and NNX12AE38G and by NSF awards 1211112 and 1515404. J.P.K. acknowledges support from the ERC advanced grant LIDA.; This paper includes targets derived from the images of the Wide-Field Infrared Survey Explorer, which is a joint project of the University of California, Los Angeles, and the Jet Propulsion Laboratory/California Institute of Technology, funded by the National Aeronautics and Space Administration.; This paper represents an effort by both the SDSS-III and SDSS-IV collaborations. Funding for SDSS-III was provided by the Alfred P. Sloan Foundation, the Participating Institutions, the National Science Foundation, and the U.S. Department of Energy Office of Science. Funding for the Sloan Digital Sky Survey IV has been provided by the Alfred P. Sloan Foundation, the U.S. Department of Energy Office of Science, and the Participating Institutions. SDSS-IV acknowledges support and resources from the Center for High-Performance Computing at the University of Utah. The SDSS web site is www.sdss.org. NR 141 TC 16 Z9 16 U1 1 U2 7 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0067-0049 EI 1538-4365 J9 ASTROPHYS J SUPPL S JI Astrophys. J. Suppl. Ser. PD DEC PY 2015 VL 221 IS 2 AR 27 DI 10.1088/0067-0049/221/2/27 PG 24 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA CY7WV UT WOS:000366620900005 ER PT J AU Herndon, EM Yang, ZM Bargar, J Janot, N Regier, T Graham, D Wullschleger, S Gu, BH Liang, LY AF Herndon, Elizabeth M. Yang, Ziming Bargar, John Janot, Noemie Regier, Tom Z. Graham, David E. Wullschleger, Stan D. Gu, Baohua Liang, Liyuan TI Geochemical drivers of organic matter decomposition in arctic tundra soils SO BIOGEOCHEMISTRY LA English DT Article DE Iron biogeochemistry; Tundra soil; Active layer; Soil organic matter; Methane ID NEAR-SURFACE PERMAFROST; IRON-OXIDE; CARBON STORAGE; COASTAL TUNDRA; ACTIVE LAYER; NORTHWEST-TERRITORIES; FE(III) OXIDE; ALASKA; OXIDATION; REDUCTION AB Climate change is warming tundra ecosystems in the Arctic, resulting in the decomposition of previously-frozen soil organic matter (SOM) and release of carbon (C) to the atmosphere; however, the processes that control SOM decomposition and C emissions remain highly uncertain. In this study, we evaluate geochemical factors that influence microbial production of carbon dioxide (CO2) and methane (CH4) in the seasonally-thawed active layer of interstitial polygonal tundra near Barrow, Alaska. We report spatial and seasonal patterns of dissolved gases in relation to the geochemical properties of Fe and organic C in soil and soil solution, as determined using spectroscopic and chromatographic techniques. The chemical composition of soil water collected during the annual thaw season varied significantly with depth. Soil water in the middle of the active layer contained abundant Fe(III), and aromatic-C and low-molecular-weight organic acids derived from SOM decomposition. At these depths, CH4 was positively correlated with the ratio of Fe(III) to total Fe in waterlogged transitional and low-centered polygons but negatively correlated in the drier flat- and high-centered polygons. These observations contradict the expectation that CH4 would be uniformly low where Fe(III) was high due to inhibition of methanogenesis by Fe(III)-reduction reactions. Our results suggest that vertically-stratified Fe redox reactions influence respiration/fermentation of SOM and production of substrates (e.g., low-molecular-weight organic acids) for methanogenesis, but that these effects vary with soil moisture. We infer that geochemical differences induced by water saturation dictate microbial products of SOM decomposition, and Fe geochemistry is an important factor regulating methanogenesis in anoxic tundra soils. C1 [Herndon, Elizabeth M.; Yang, Ziming; Wullschleger, Stan D.; Gu, Baohua; Liang, Liyuan] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Bargar, John; Janot, Noemie] SLAC Natl Accelerator Lab, Stanford Synchrotron Radiat Lightsource, Menlo Pk, CA 94025 USA. [Regier, Tom Z.] Canadian Light Source, Saskatoon, SK S7N 2V3, Canada. [Graham, David E.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. [Janot, Noemie] Univ Lorraine, CNRS, UMR 7360, Lab Interdisciplinaire Environm Continentaux, F-54500 Vandoeuvre Les Nancy, France. RP Liang, LY (reprint author), Oak Ridge Natl Lab, Div Environm Sci, POB 2008,MS-6036, Oak Ridge, TN 37831 USA. EM eherndo1@kent.edu; liangl@ornl.gov RI Gu, Baohua/B-9511-2012; Graham, David/F-8578-2010; Wullschleger, Stan/B-8297-2012 OI Gu, Baohua/0000-0002-7299-2956; Graham, David/0000-0001-8968-7344; Wullschleger, Stan/0000-0002-9869-0446 FU DOE [DE-AC05-00OR22725]; U.S. DOE, Office of Science, Office of Basic Energy Sciences [DE-AC02-76SF00515]; Canadian Foundation for Innovation, Natural Sciences and Engineering Research Council of Canada; University of Saskatchewan; Government of Saskatchewan, Western Economic Diversification Canada; National Research Council Canada; Canadian Institutes of Health Research; US Department of Energy (DOE) Office of Biological and Environmental Research FX The authors would like to thank Kenneth Lowe for core sample collection, and Taniya Roy Chowdhury, Xiangping Yin, Benjamin Mann, Tonia Mehlhorn, Sharon Bone, Jay Dynes, Margaret Murphy, and Henry Gong for technical assistance and chemical analyses. All data are available in the supporting information for this manuscript and in an online data repository (NGEE-Arctic Data Portal). The Next Generation Ecosystem Experiments (NGEE-Arctic) project and the SLAC Science Focus Area (SFA) program are supported by the US Department of Energy (DOE) Office of Biological and Environmental Research. Oak Ridge National Laboratory is managed by UT-Battelle LLC for DOE under contract DE-AC05-00OR22725. Portions of this work were performed at the Stanford Synchrotron Radiation Lightsource (SSRL) and the Canadian Light Source (CLS). SSRL (a directorate of SLAC) is supported by the U.S. DOE, Office of Science, Office of Basic Energy Sciences under Contract No. DE-AC02-76SF00515. The CLS is supported by the Canadian Foundation for Innovation, Natural Sciences and Engineering Research Council of Canada, the University of Saskatchewan, the Government of Saskatchewan, Western Economic Diversification Canada, the National Research Council Canada, and the Canadian Institutes of Health Research. Logistical support while working on the Barrow Environmental Observatory (BEO) was provided by Umiaq, LLC. NR 73 TC 4 Z9 4 U1 18 U2 68 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0168-2563 EI 1573-515X J9 BIOGEOCHEMISTRY JI Biogeochemistry PD DEC PY 2015 VL 126 IS 3 BP 397 EP 414 DI 10.1007/s10533-015-0165-5 PG 18 WC Environmental Sciences; Geosciences, Multidisciplinary SC Environmental Sciences & Ecology; Geology GA CY8AT UT WOS:000366631500010 ER PT J AU Ball, JL Stauffer, PH Calder, ES Valentine, GA AF Ball, Jessica L. Stauffer, Philip H. Calder, Eliza S. Valentine, Greg A. TI The hydrothermal alteration of cooling lava domes SO BULLETIN OF VOLCANOLOGY LA English DT Article DE Hydrothermal alteration; Lava dome; Lava dome collapse; Numerical modeling ID CASITA-VOLCANO; UNZEN VOLCANO; ELECTRICAL-RESISTIVITY; GUADELOUPE-VOLCANO; SOUFRIERE VOLCANO; LESSER-ANTILLES; FLANK-COLLAPSE; HEAT-TRANSPORT; MOUNT-RAINIER; NEW-ZEALAND AB Hydrothermal alteration is a recognized cause of volcanic instability and edifice collapse, including that of lava domes or dome complexes. Alteration by percolating fluids transforms primary minerals in dome lavas to weaker secondary products such as clay minerals; moreover, secondary mineral precipitation can affect the porosity and permeability of dome lithologies. The location and intensity of alteration in a dome depend heavily on fluid pathways and availability in conjunction with heat supply. Here we investigate postemplacement lava dome weakening by hydrothermal alteration using a finite element numerical model of water migration in simplified dome geometries. This is combined with the rock alteration index (RAI) to predict zones of alteration and secondary mineral precipitation. Our results show that alteration potential is highest at the interface between the hot core of a lava dome and its clastic talus carapace. The longest lived alteration potential fields occur in domes with persistent heat sources and permeabilities that allow sufficient infiltration of water for alteration processes, but not so much that domes cool quickly. This leads us to conclude that alteration-induced collapses are most likely to be shallow seated and originate in the talus or talus/core interface in domes which have a sustained supply of magmatic heat. Mineral precipitation at these zones of permeability contrast could create barriers to fluid flow, potentially causing gas pressurization which might promote deeper seated and larger volume collapses. This study contributes to our knowledge of how hydrothermal alteration can affect lava domes and provides constraints on potential sites for alteration-related collapses, which can be used to target hazard monitoring. C1 [Ball, Jessica L.; Valentine, Greg A.] SUNY Buffalo, Dept Geol, Buffalo, NY 14260 USA. [Ball, Jessica L.] US Geol Survey, Menlo Pk, CA 94025 USA. [Stauffer, Philip H.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Calder, Eliza S.] Univ Edinburgh, Sch GeoSci, Edinburgh EH9 3JW, Midlothian, Scotland. RP Ball, JL (reprint author), SUNY Buffalo, Dept Geol, 411 Cooke Hall, Buffalo, NY 14260 USA. EM jlball@usgs.gov OI Ball, Jessica/0000-0002-7837-8180; Stauffer, Philip/0000-0002-6976-221X FU National Science Foundation [1010210, 1228217]; University at Buffalo Center For Geohazards Studies FX This manuscript benefited greatly from the comments by J. White and two anonymous reviewers. This work was supported by a National Science Foundation Graduate Research Fellowship 1010210, National Science Foundation Award 1228217, and a scholarship from the University at Buffalo Center For Geohazards Studies. Numerical modeling was performed with the Los Alamos National Laboratory's Subsurface Flow and Transport Team and the University at Buffalo's Center for Computational Research. NR 93 TC 5 Z9 5 U1 0 U2 8 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0258-8900 EI 1432-0819 J9 B VOLCANOL JI Bull. Volcanol. PD DEC PY 2015 VL 77 IS 12 AR 102 DI 10.1007/s00445-015-0986-z PG 16 WC Geosciences, Multidisciplinary SC Geology GA CY8CD UT WOS:000366635200005 ER PT J AU Aldiri, I Ajioka, I Xu, BS Zhang, JK Chen, X Benavente, C Finkelstein, D Johnson, D Akiyama, J Pennacchio, LA Dyer, MA AF Aldiri, Issam Ajioka, Itsuki Xu, Beisi Zhang, Jiakun Chen, Xiang Benavente, Claudia Finkelstein, David Johnson, Dianna Akiyama, Jennifer Pennacchio, Len A. Dyer, Michael A. TI Brg1 coordinates multiple processes during retinogenesis and is a tumor suppressor in retinoblastoma SO DEVELOPMENT LA English DT Article DE SWI/SNF; Epigenetics; Retina development; Retinoblastoma; Mouse ID CELL-CYCLE PROGRESSION; ROD DYSTROPHY CORD7; GENE-EXPRESSION; RETINAL DEVELOPMENT; MOUSE RETINA; DEVELOPMENTAL DEFECTS; CENTRIOLE DUPLICATION; FATE DETERMINATION; DNA-REPLICATION; GOLGI TRANSPORT AB Retinal development requires precise temporal and spatial coordination of cell cycle exit, cell fate specification, cell migration and differentiation. When this process is disrupted, retinoblastoma, a developmental tumor of the retina, can form. Epigenetic modulators are central to precisely coordinating developmental events, and many epigenetic processes have been implicated in cancer. Studying epigenetic mechanisms in development is challenging because they often regulate multiple cellular processes; therefore, elucidating the primary molecular mechanisms involved can be difficult. Here we explore the role of Brg1 (Smarca4) in retinal development and retinoblastoma in mice using molecular and cellular approaches. Brg1 was found to regulate retinal size by controlling cell cycle length, cell cycle exit and cell survival during development. Brg1 was not required for cell fate specification but was required for photoreceptor differentiation and cell adhesion/polarity programs that contribute to proper retinal lamination during development. The combination of defective cell differentiation and lamination led to retinal degeneration in Brg1-deficient retinae. Despite the hypocellularity, premature cell cycle exit, increased cell death and extended cell cycle length, retinal progenitor cells persisted in Brg1-deficient retinae, making them more susceptible to retinoblastoma. ChIP-Seq analysis suggests that Brg1 might regulate gene expression through multiple mechanisms. C1 [Aldiri, Issam; Zhang, Jiakun; Benavente, Claudia; Dyer, Michael A.] St Jude Childrens Res Hosp, Dept Dev Neurobiol, Memphis, TN 38105 USA. [Ajioka, Itsuki] Tokyo Med & Dent Univ, Ctr Brain Integrat Res, Tokyo 1138510, Japan. [Xu, Beisi; Chen, Xiang; Finkelstein, David] St Jude Childrens Res Hosp, Dept Computat Biol, Memphis, TN 38105 USA. [Johnson, Dianna; Dyer, Michael A.] Univ Tennessee, Ctr Hlth Sci, Dept Ophthalmol, Memphis, TN 38163 USA. [Akiyama, Jennifer; Pennacchio, Len A.] Lawrence Berkeley Natl Lab, Genom Div, Berkeley, CA 94701 USA. [Akiyama, Jennifer; Pennacchio, Len A.] Joint Genome Inst, Dept Energy, Walnut Creek, CA 94598 USA. [Dyer, Michael A.] Howard Hughes Med Inst, Chevy Chase, MD 20815 USA. RP Dyer, MA (reprint author), St Jude Childrens Res Hosp, Dept Dev Neurobiol, 332 N Lauderdale St, Memphis, TN 38105 USA. EM michael.dyer@stjude.org RI Xu, Beisi/C-8560-2009 OI Xu, Beisi/0000-0003-0099-858X FU Cancer Center Support from National Cancer Institute (NCI) [CA21765]; National Institutes of Health (NIH) [EY014867, EY018599, CA168875]; American Lebanese Syrian Associated Charities (ALSAC); Alex's Lemonade Stand Foundation for Childhood Cancer; National Institute of Dental and Craniofacial Research (NIDCR) [U01DE020060NIH]; National Human Genome Research Institute (NHGRI) [R01HG003988, U54HG006997]; Department of Energy [DE-AC02-05CH11231] FX This work was supported, in part, by Cancer Center Support [CA21765] from the National Cancer Institute (NCI), grants to M.A.D. from the National Institutes of Health (NIH) [EY014867 and EY018599 and CA168875], and the American Lebanese Syrian Associated Charities (ALSAC). M.A.D. was also supported by a grant from Alex's Lemonade Stand Foundation for Childhood Cancer. L.A.P. was supported by a National Institute of Dental and Craniofacial Research (NIDCR) FaceBase grant [U01DE020060NIH] and by National Human Genome Research Institute (NHGRI) grants [R01HG003988 and U54HG006997], and research was conducted at the E. O. Lawrence Berkeley National Laboratory and performed under Department of Energy Contract DE-AC02-05CH11231. Deposited in PMC for immediate release. NR 100 TC 3 Z9 3 U1 1 U2 6 PU COMPANY OF BIOLOGISTS LTD PI CAMBRIDGE PA BIDDER BUILDING CAMBRIDGE COMMERCIAL PARK COWLEY RD, CAMBRIDGE CB4 4DL, CAMBS, ENGLAND SN 0950-1991 EI 1477-9129 J9 DEVELOPMENT JI Development PD DEC 1 PY 2015 VL 142 IS 23 BP 4092 EP 4106 DI 10.1242/dev.124800 PG 15 WC Developmental Biology SC Developmental Biology GA CY4FK UT WOS:000366363800010 PM 26628093 ER PT J AU Sitte, J Loffler, S Burkhardt, EM Goldfarb, KC Buchel, G Hazen, TC Kusel, K AF Sitte, Jana Loeffler, Sylvia Burkhardt, Eva-Maria Goldfarb, Katherine C. Buechel, Georg Hazen, Terry C. Kuesel, Kirsten TI Metals other than uranium affected microbial community composition in a historical uranium-mining site SO ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH LA English DT Article DE Uranium mining; Heavy metal and radionuclide contamination; Microbial community composition; Soil bacteria ID SULFATE-REDUCING BACTERIA; HEAVY-METALS; RESIDUAL CONTAMINATION; CLONE LIBRARY; SOIL; DIVERSITY; REDUCTION; RESISTANCE; MICROARRAY; TOXICITY AB To understand the links between the long-term impact of uranium and other metals on microbial community composition, ground- and surface water-influenced soils varying greatly in uranium and metal concentrations were investigated at the former uranium-mining district in Ronneburg, Germany. A soil-based 16S PhyloChip approach revealed 2358 bacterial and 35 archaeal operational taxonomic units (OTU) within diverse phylogenetic groups with higher OTU numbers than at other uranium-contaminated sites, e.g., at Oak Ridge. Iron- and sulfate-reducing bacteria (FeRB and SRB), which have the potential to attenuate uranium and other metals by the enzymatic and/or abiotic reduction of metal ions, were found at all sites. Although soil concentrations of solid-phase uranium were high, ranging from 5 to 1569 mu g center dot g (dry weight) soil(-1), redundancy analysis (RDA) and forward selection indicated that neither total nor bio-available uranium concentrations contributed significantly to the observed OTU distribution. Instead, microbial community composition appeared to be influenced more by redox potential. Bacterial communities were also influenced by bio-available manganese and total cobalt and cadmium concentrations. Bio-available cadmium impacted FeRB distribution while bio-available manganese and copper as well as solid-phase zinc concentrations in the soil affected SRB composition. Archaeal communities were influenced by the bio-available lead as well as total zinc and cobalt concentrations. These results suggest that (i) microbial richness was not impacted by heavy metals and radionuclides and that (ii) redox potential and secondary metal contaminants had the strongest effect on microbial community composition, as opposed to uranium, the primary source of contamination. C1 [Sitte, Jana; Loeffler, Sylvia; Burkhardt, Eva-Maria; Kuesel, Kirsten] Univ Jena, Inst Ecol, Aquat Geomicrobiol, D-07743 Jena, Germany. [Loeffler, Sylvia; Buechel, Georg] Univ Jena, Inst Earth Sci, D-07749 Jena, Germany. [Sitte, Jana; Goldfarb, Katherine C.; Hazen, Terry C.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Hazen, Terry C.] Univ Tennessee, Civil & Environm Engn Dept, Earth & Planetary Sci, Microbiol, Knoxville, TN 37996 USA. [Hazen, Terry C.] Oak Ridge Natl Lab, Div Biol Sci, Oak Ridge, TN 37831 USA. [Kuesel, Kirsten] German Ctr Integrat Biodivers Res iDiv, D-04103 Leipzig, Germany. RP Kusel, K (reprint author), Univ Jena, Inst Ecol, Aquat Geomicrobiol, D-07743 Jena, Germany. EM Kirsten.Kuesel@uni-jena.de RI iDiv, Deutsches Zentrum/B-5164-2016; Hazen, Terry/C-1076-2012 OI Hazen, Terry/0000-0002-2536-9993 FU German Research Foundation [DFG 1257] FX The authors thank Dirk Merten and Denise M. Akob for the valuable discussion, Ingo Schoning for soil horizon nomenclature, Michael Rzanny for the helpful suggestions with the statistical analyses, Katy Hartwig and Sylvia MeiBner for the technical assistance, and Peter Bouwma for proofreading the manuscript. This project was part of the graduate research school "Alteration and element mobility at the microbe-mineral interface" financially supported by the German Research Foundation (DFG 1257) and embedded in the Jena School of Microbial Communication (JSMC). NR 77 TC 0 Z9 0 U1 9 U2 40 PU SPRINGER HEIDELBERG PI HEIDELBERG PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY SN 0944-1344 EI 1614-7499 J9 ENVIRON SCI POLLUT R JI Environ. Sci. Pollut. Res. PD DEC PY 2015 VL 22 IS 24 BP 19326 EP 19341 DI 10.1007/s11356-015-4791-1 PG 16 WC Environmental Sciences SC Environmental Sciences & Ecology GA CY8CX UT WOS:000366637300003 PM 26122566 ER PT J AU Xu, SA Onishi, N Tsurusaki, A Manaka, Y Wang, WH Muckerman, JT Fujita, E Himeda, Y AF Xu, Shaoan Onishi, Naoya Tsurusaki, Akihiro Manaka, Yuichi Wang, Wan-Hui Muckerman, James T. Fujita, Etsuko Himeda, Yuichiro TI Efficient Cp*Ir Catalysts with Imidazoline Ligands for CO2 Hydrogenation SO EUROPEAN JOURNAL OF INORGANIC CHEMISTRY LA English DT Article DE Homogeneous catalysis; Iridium; CO2 hydrogenation ID CARBON-DIOXIDE HYDROGENATION; RUTHENIUM PINCER COMPLEX; FORMIC-ACID; AQUEOUS-MEDIA; FORMATE; STORAGE; WATER; DEHYDROGENATION; BICARBONATE; GENERATION AB We report newly developed iridium catalysts with electron-donating imidazoline moieties as ligands for the hydrogenation of CO2 to formate in aqueous solution. Interestingly, these new complexes promote CO2 hydrogenation much more effectively than their imidazole analogues and exhibit a turnover frequency (TOF) of 1290 h(-1) for the bisimidazoline complex compared to that of 20 h(-1) for the bisimidazole complex at 1 MPa and 50 degrees C. In addition, the hydrogenation proceeds smoothly even under atmospheric pressure at room temperature. The TOF of 43 h(-1) for the bisimidazoline complex is comparable to that of a dinuclear complex (70 h(-1), highest TOF reported) [Nat. Chem. 2012, 4, 383], which in-corporates proton-responsive ligands with pendent-OH groups in the second coordination sphere. The catalytic activity of the complex with an N-methylated imidazoline moiety is much the same as that of the corresponding pyridyl-imidazoline analogue. This result and the UV/Vis titrations of the imidazoline complexes indicate that the high activity is not attributable to the deprotonation of NH on the imidazoline under the reaction conditions. C1 [Xu, Shaoan; Onishi, Naoya; Tsurusaki, Akihiro; Manaka, Yuichi; Himeda, Yuichiro] Natl Inst Adv Ind Sci & Technol, Tsukuba, Ibaraki 3058565, Japan. [Xu, Shaoan; Onishi, Naoya; Himeda, Yuichiro] Japan Sci & Technol Agcy, ACT C, Kawaguchi, Saitama 3320012, Japan. [Wang, Wan-Hui] Dalian Univ Technol, Sch Petr & Chem Engn, Panjin 124221, Peoples R China. [Muckerman, James T.; Fujita, Etsuko] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Onishi, N (reprint author), Natl Inst Adv Ind Sci & Technol, Tsukuba Cent 5,1-1-1 Higashi, Tsukuba, Ibaraki 3058565, Japan. EM n.onishi@aist.go.jp; himeda.y@aist.go.jp RI Wang, Wan-Hui/J-8773-2012; Onishi, Naoya/I-6373-2016; OI Wang, Wan-Hui/0000-0002-5943-4589; Manaka, Yuichi/0000-0001-5872-3365; Tsurusaki, Akihiro/0000-0002-9392-539X FU Japan Science and Technology Agency (JST), ACT-C; Dalian University of Technology [Fundamental Research Funds for the Central Universities] [DUT14RC(3)082, 844401]; National Natural Science Foundation of China [21402019]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC00112704] FX S. X., N. O., Y. M., and Y. H. thank the Japan Science and Technology Agency (JST), ACT-C for financial support. W.-H. W. is grateful for the financial support from Dalian University of Technology [the Fundamental Research Funds for the Central Universities, Grant No. DUT14RC(3)082; Grant No. 844401] and the National Natural Science Foundation of China (Grant No. 21402019). The work at BNL was carried out with the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under contract DE-SC00112704. NR 39 TC 5 Z9 5 U1 19 U2 66 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1434-1948 EI 1099-0682 J9 EUR J INORG CHEM JI Eur. J. Inorg. Chem. PD DEC PY 2015 IS 34 BP 5591 EP 5594 DI 10.1002/ejic.201501030 PG 4 WC Chemistry, Inorganic & Nuclear SC Chemistry GA CY5EZ UT WOS:000366432200002 ER PT J AU Miller, DL Boro, BJ Grubel, K Helm, ML Appel, AM AF Miller, Deanna L. Boro, Brian J. Grubel, Katarzyna Helm, Monte L. Appel, Aaron M. TI Synthesis and Characterization of a Triphos Ligand Derivative and the Corresponding Pd-II Complexes SO EUROPEAN JOURNAL OF INORGANIC CHEMISTRY LA English DT Article DE P ligands; Tridentate ligands; Palladium; Crystallography; Electrochemistry ID ELECTROCHEMICAL REDUCTION; CRYSTAL-STRUCTURE; CARBON-DIOXIDE; CO2 REDUCTION; SUBSTITUTION; PALLADIUM; ACTIVATION; REACTIVITY; CATALYSTS; PD(II) AB The synthesis of the new bis[2-(diphenylphosphino)ethyl]-(hydroxymethyl)phosphine tridentate ligand L-CH2OH/Ph is reported. The ligand reacts with [Pd(Cl)(2)(PhCN)(2)] to form [Pd(L-CH2OH/Ph)Cl]Cl. Exchange of the chloride ions for triflate (OTf-) using AgOTf yielded pure [Pd(L-CH2OH/Ph) OTf]OTf. In addition to spectral characterization, the free ligand, L-CH2OH/Ph, and the Pd-II complex, [Pd(L-CH2OH/Ph) OTf]OTf, were structurally characterized. C1 [Miller, Deanna L.; Boro, Brian J.; Grubel, Katarzyna; Helm, Monte L.; Appel, Aaron M.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Helm, ML (reprint author), Pacific NW Natl Lab, POB 999,MS K2-57, Richland, WA 99352 USA. EM monte.helm@pnnl.gov OI Appel, Aaron/0000-0002-5604-1253 FU US Department of Energy, the Office of Science, the Office of Basic Energy Sciences, the Division of Chemical Sciences, the Geosciences Bio-sciences FX This research was supported by the US Department of Energy, the Office of Science, the Office of Basic Energy Sciences, the Division of Chemical Sciences, the Geosciences & Bio-sciences. Pacific Northwest National Laboratory (PNNL) is a multiprogram national laboratory operated for DOE by Battelle. NR 28 TC 1 Z9 1 U1 2 U2 14 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1434-1948 EI 1099-0682 J9 EUR J INORG CHEM JI Eur. J. Inorg. Chem. PD DEC PY 2015 IS 35 BP 5781 EP 5785 DI 10.1002/ejic.201500791 PG 5 WC Chemistry, Inorganic & Nuclear SC Chemistry GA CY5EO UT WOS:000366431100009 ER PT J AU Meng, YJ Wang, XZ Wu, ZG Wang, SQ Young, TM AF Meng, Yujie Wang, Xinzhou Wu, Zhenggang Wang, Siqun Young, Timothy M. TI Optimization of cellulose nanofibrils carbon aerogel fabrication using response surface methodology SO EUROPEAN POLYMER JOURNAL LA English DT Article DE Carbon aerogel; Cellulose nanofibrils; Oil absorption; Optimization Response surface methodology (RSM) ID MECHANICAL-PROPERTIES; FIBERS; CARBONIZATION; ULTRALIGHT; ABSORPTION; COTTON AB This research investigated the simultaneous effects of processing parameters in the making of carbon aerogel from cellulose nanofibrils (NFC). Variables such as peak temperature and heating rate at different levels were systematically investigated with the goal of parameter optimization using response surface methodology (RSM). A face-centered central composite design (CCF) was used to evaluate the feasible range of process conditions where the levels of peak temperature and heating rate were varied at levels ranging from 230 degrees C to 320 degrees C. Results indicated that the quadratic model developed for the response surface was adequate for the prediction of optimal parameters. Response surface predictions were developed to explore the integrated and feasible operating space. Optimum conditions were: 300 degrees C peak temperature and a heating rate of 8.00 degrees C/min. The carbon aerogel achieved approximately 90.10 g/g of the normalized oil absorption capacity despite a weight reduction percentage of 82%. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Meng, Yujie; Wang, Xinzhou; Wang, Siqun; Young, Timothy M.] Univ Tennessee, Dept Forestry Wildlife & Fisheries, Ctr Renewable Carbon, Knoxville, TN 37996 USA. [Wang, Xinzhou] Nanjing Forestry Univ, Dept Mat Sci & Engn, Nanjing, Peoples R China. [Meng, Yujie; Wu, Zhenggang] Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Young, TM (reprint author), Univ Tennessee, Dept Forestry Wildlife & Fisheries, Ctr Renewable Carbon, Knoxville, TN 37996 USA. EM tmyoung1@utk.edu RI Young, Timothy/D-9949-2011 OI Young, Timothy/0000-0001-9564-6506 FU U.S. Department of Agriculture Special Wood Utilization [R11-0515-041, R11-2219-510]; University of Tennessee, Department of Forestry, Wildlife and Fisheries, Center for Renewable Carbon; UTIA Innovation Grant; Tennessee Experimental Station Project [TEN00422]; Agricultural Experiment Station McIntire-Stennis Grant [TENOOMS-101] FX The authors gratefully acknowledge the support of this research by U.S. Department of Agriculture Special Wood Utilization Grants R11-0515-041 and R11-2219-510, the University of Tennessee, Department of Forestry, Wildlife and Fisheries, Center for Renewable Carbon, the financial support from the UTIA 2013 Innovation Grant and the Tennessee Experimental Station Project #TEN00422 and the Agricultural Experiment Station McIntire-Stennis Grant TENOOMS-101. NR 28 TC 2 Z9 2 U1 3 U2 45 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0014-3057 EI 1873-1945 J9 EUR POLYM J JI Eur. Polym. J. PD DEC PY 2015 VL 73 BP 137 EP 148 DI 10.1016/j.eurpolymj.2015.10.007 PG 12 WC Polymer Science SC Polymer Science GA CY6RQ UT WOS:000366536900013 ER PT J AU Marrocchi, A Adriaensens, P Bartollini, E Barkakati, B Carleer, R Chen, J Hensley, DK Petrucci, C Tassi, M Vaccaro, L AF Marrocchi, Assunta Adriaensens, Peter Bartollini, Elena Barkakati, Balaka Carleer, Robert Chen, Jihua Hensley, Dale K. Petrucci, Chiara Tassi, Marco Vaccaro, Luigi TI Novel cross-linked polystyrenes with large space network as tailor-made catalyst supports for sustainable media SO EUROPEAN POLYMER JOURNAL LA English DT Article DE Polystyrenes; Gel-type resins; Polymer supports; Heterogeneous catalyst; Green chemistry ID BAYLIS-HILLMAN REACTIONS; SMART CLEAVAGE REACTIONS; POLYMERIC SUPPORTS; ORGANIC CATALYSTS; REUSABLE CATALYST; SOLVENT; EFFICIENT; TBD; IMMOBILIZATION; NUCLEOPHILES AB A novel class of polystyrene-based gel-type resins (SPACeR, SP), containing the large 1,4-bis (4-vinylphenoxy)benzene cross-linker, is introduced; SP-immobilized 1,5,7-triazabicyclo [4.4.0]dec-5-ene (TBD) and triethylamine (TEA) bases are synthesized and characterized in terms of their structural, thermal and morphological features, and their catalytic efficiency in a series of fundamental chemical transformations under solvent-free conditions is investigated. (C) 2015 Published by Elsevier Ltd. C1 [Marrocchi, Assunta; Bartollini, Elena; Petrucci, Chiara; Vaccaro, Luigi] Univ Perugia, CEMIN Dipartimento Chim Biol & Biotecnol, Lab Green Synthet Organ Chem, I-06123 Perugia, Italy. [Adriaensens, Peter; Carleer, Robert; Tassi, Marco] Hasselt Univ Appl & Analyt Chem, BE-3590 Diepenbeek, Belgium. [Barkakati, Balaka; Chen, Jihua; Hensley, Dale K.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Marrocchi, A (reprint author), Univ Perugia, CEMIN Dipartimento Chim Biol & Biotecnol, Lab Green Synthet Organ Chem, Via Elce Sotto 8, I-06123 Perugia, Italy. EM assunta.marrocchi@unipg.it; luigi.vaccaro@unipg.it RI Hensley, Dale/A-6282-2016; Vaccaro, Luigi/K-1043-2013; marrocchi, assunta/B-7583-2014; Chen, Jihua/F-1417-2011; Adriaensens, Peter/F-3877-2017 OI Hensley, Dale/0000-0001-8763-7765; Vaccaro, Luigi/0000-0003-4168-2303; Chen, Jihua/0000-0001-6879-5936; Adriaensens, Peter/0000-0003-4183-0150 FU National project "BIT3G" - Italian Green Chemistry Cluster; Universita degli Studi di Perugia FX This research has been developed and partially financed within the National project "BIT3G" - Italian Green Chemistry Cluster.; We gratefully acknowledge the Universita degli Studi di Perugia for financial support. NR 40 TC 3 Z9 3 U1 4 U2 9 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0014-3057 EI 1873-1945 J9 EUR POLYM J JI Eur. Polym. J. PD DEC PY 2015 VL 73 BP 391 EP 401 DI 10.1016/j.eurpolymj.2015.10.002 PG 11 WC Polymer Science SC Polymer Science GA CY6RQ UT WOS:000366536900034 ER PT J AU Wagner, JL Kearney, SP Beresh, SJ DeMauro, EP Pruett, BO AF Wagner, Justin L. Kearney, Sean P. Beresh, Steven J. DeMauro, Edward P. Pruett, Brian O. TI Flash X-ray measurements on the shock-induced dispersal of a dense particle curtain SO EXPERIMENTS IN FLUIDS LA English DT Article ID PRESSURE FUEL SPRAYS; FLOWS AB The interaction of a Mach 1.67 shock wave with a dense particle curtain is quantified using flash radiography. These new data provide a view of particle transport inside a compressible, dense gas-solid flow of high optical opacity. The curtain, composed of 115-mu m glass spheres, initially spans 87 % of the test section width and has a streamwise thickness of about 2 mm. Radiograph intensities are converted to particle volume fraction distributions using the Beer-Lambert law. The mass in the particle curtain, as determined from the X-ray data, is in reasonable agreement with that given from a simpler method using a load cell and particle imaging. Following shock impingement, the curtain propagates downstream and the peak volume fraction decreases from about 23 to about 4 % over a time of 340 mu s. The propagation occurs asymmetrically, with the downstream side of the particle curtain experiencing a greater volume fraction gradient than the upstream side, attributable to the dependence of particle drag on volume fraction. Bulk particle transport is quantified from the time-dependent center of mass of the curtain. The bulk acceleration of the curtain is shown to be greater than that predicted for a single 115-mu m particle in a Mach 1.67 shock-induced flow. C1 [Wagner, Justin L.; Kearney, Sean P.; Beresh, Steven J.; DeMauro, Edward P.; Pruett, Brian O.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Wagner, JL (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM jlwagner7@gmail.com FU internal Laboratory Directed Research and Development (LDRD) grant; Sandia National Laboratories; US Department of Energy; US Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The experiments in this work were funded in part with an internal Laboratory Directed Research and Development (LDRD) grant. The authors gratefully acknowledge this support. The authors appreciate insightful conversations with Professor Jonathan Regele on the initial volume fraction profile and with Professor S. Balachandar on the shape of the profiles during the interaction. The authors also thank Gerald Stoker and Enrico Quintana for their assistance with the initial setup of the flash X-ray system and Thomas Grasser machining of the experimental hardware. Finally, the authors would also like to thank Ryan Marinis and Adam Jimenez for their assistance with the computed radiography system. This work is supported by Sandia National Laboratories and the US Department of Energy. 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 36 TC 0 Z9 0 U1 4 U2 16 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0723-4864 EI 1432-1114 J9 EXP FLUIDS JI Exp. Fluids PD DEC PY 2015 VL 56 IS 12 AR 213 DI 10.1007/s00348-015-2087-3 PG 12 WC Engineering, Mechanical; Mechanics SC Engineering; Mechanics GA CY8DU UT WOS:000366639800009 ER PT J AU Song, HS Renslow, RS Fredrickson, JK Lindemann, SR AF Song, Hyun-Seob Renslow, Ryan S. Fredrickson, Jim K. Lindemann, Stephen R. TI Integrating Ecological and Engineering Concepts of Resilience in Microbial Communities SO FRONTIERS IN MICROBIOLOGY LA English DT Article DE microbial communities; microbial ecology; resilience; resistance; robustness; stability; networks ID BIOLOGICAL ROBUSTNESS; BIOGEOCHEMICAL CYCLES; PERTURBATIONS; RESISTANCE; COLLAPSE; FLUX; RECOVERY; SYSTEMS; FOREST AB Many definitions of resilience have been proffered for natural and engineered ecosystems, but a conceptual consensus on resilience in microbial communities is still lacking. We argue that the disconnect largely results from the wide variance in microbial community complexity, which range from compositionally simple synthetic consortia to complex natural communities, and divergence between the typical practical outcomes emphasized by ecologists and engineers. Viewing microbial communities as elasto-plastic systems that undergo both recoverable and unrecoverable transitions, we argue that this gap between the engineering and ecological definitions of resilience stems from their respective emphases on elastic and plastic deformation, respectively. We propose that the two concepts may be fundamentally united around the resilience of function rather than state in microbial communities and the regularity in the relationship between environmental variation and a community's functional response. Furthermore, we posit that functional resilience is an intrinsic property of microbial communities and suggest that state changes in response to environmental variation may be a key mechanism driving functional resilience in microbial communities. C1 [Song, Hyun-Seob; Fredrickson, Jim K.; Lindemann, Stephen R.] Pacific NW Natl Lab, Div Biol Sci, Earth & Biol Sci Directorate, Richland, WA 99352 USA. [Renslow, Ryan S.] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. RP Lindemann, SR (reprint author), Pacific NW Natl Lab, Div Biol Sci, Earth & Biol Sci Directorate, Richland, WA 99352 USA. EM stephen.lindemann@pnnl.gov RI Lindemann, Steve/H-6088-2016 OI Lindemann, Steve/0000-0002-3788-5389 FU Genomic Science Program (GSP); Office of Biological and Environmental Research (OBER); U.S. Department of Energy (DOE); Linus Pauling Distinguished Postdoctoral Fellowship at PNNL FX This research was supported by the Genomic Science Program (GSP), Office of Biological and Environmental Research (OBER), U.S. Department of Energy (DOE), and is a contribution of the Pacific Northwest National Laboratory (PNNL) Foundational Scientific Focus Area (FSFA) and Subsurface Biogeochemistry Research Program's STA. RR was supported by a Linus Pauling Distinguished Postdoctoral Fellowship at PNNL. NR 51 TC 3 Z9 3 U1 9 U2 32 PU FRONTIERS MEDIA SA PI LAUSANNE PA PO BOX 110, EPFL INNOVATION PARK, BUILDING I, LAUSANNE, 1015, SWITZERLAND SN 1664-302X J9 FRONT MICROBIOL JI Front. Microbiol. PD DEC 1 PY 2015 VL 6 AR 1298 DI 10.3389/fmicb.2015.01298 PG 7 WC Microbiology SC Microbiology GA CY6YA UT WOS:000366553500002 PM 26648912 ER PT J AU Manuel, MJE Kuranz, CC Rasmus, AM Klein, SR MacDonald, MJ Trantham, MR Fein, JR Belancourt, PX Young, RP Keiter, PA Drake, RP Pollock, BB Park, J Hazi, AU Williams, GJ Chen, H AF Manuel, M. J. -E. Kuranz, C. C. Rasmus, A. M. Klein, S. R. MacDonald, M. J. Trantham, M. R. Fein, J. R. Belancourt, P. X. Young, R. P. Keiter, P. A. Drake, R. P. Pollock, B. B. Park, J. Hazi, A. U. Williams, G. J. Chen, H. TI Experimental results from magnetized-jet experiments executed at the Jupiter Laser Facility SO HIGH ENERGY DENSITY PHYSICS LA English DT Article; Proceedings Paper CT 10th International Conference on High Energy Density Laboratory Astrophysics CY MAY, 2014 CL Bordeaux, FRANCE DE Plasma jets; Magnetized plasma; Laboratory astrophysics ID HYDRODYNAMICS; PLASMAS; FIELD AB Recent experiments at the Jupiter Laser Facility investigated magnetization effects on collimated plasma jets. Laser-irradiated plastic-cone-targets produced collimated, millimeter-scale plasma flows as indicated by optical interferometry. Proton radiography of these jets showed no indication of strong, self-generated magnetic fields, suggesting a dominantly hydrodynamic collimating mechanism. Targets were placed in a custom-designed solenoid capable of generating field strengths up to 5 T. Proton radiographs of the well-characterized B-field, without a plasma jet, suggested an external source of trapped electrons that affects proton trajectories. The background magnetic field was aligned with the jet propagation direction, as is the case in many astrophysical systems. Optical interferometry showed that magnetization of the plasma results in disruption of the collimated flow and instead produces a hollow cavity. This result is a topic of ongoing investigation. (C) 2014 Elsevier B.V. All rights reserved. C1 [Manuel, M. J. -E.; Kuranz, C. C.; Rasmus, A. M.; Klein, S. R.; MacDonald, M. J.; Trantham, M. R.; Fein, J. R.; Belancourt, P. X.; Young, R. P.; Keiter, P. A.; Drake, R. P.] Univ Michigan, Dept Atmospher Ocean & Space Sci, Ann Arbor, MI 48109 USA. [Pollock, B. B.; Park, J.; Hazi, A. U.; Williams, G. J.; Chen, H.] Lawrence Livermore Natl Lab, Livermore, CA USA. RP Manuel, MJE (reprint author), Univ Michigan, Dept Atmospher Ocean & Space Sci, Ann Arbor, MI 48109 USA. EM mmanuel@umich.edu RI Manuel, Mario/L-3213-2015; Drake, R Paul/I-9218-2012; OI Manuel, Mario/0000-0002-5834-1161; Drake, R Paul/0000-0002-5450-9844; MacDonald, Michael/0000-0002-6295-6978 FU NASA through Einstein Postdoctoral Fellowship - Chandra X-ray Center [PF3-140111]; NNSA-DS; SC-OFES Joint Program in High-Energy-Density Laboratory Plasmas [DE-NA0001840]; Predictive Sciences Academic Alliances Program in NNSA-ASC [DEFC52-08NA28616]; U.S. DOE [DE-AC52-07NA27344]; NASA [NAS8-03060] FX Other support for this work was provided by NASA through Einstein Postdoctoral Fellowship grant number PF3-140111 awarded by the Chandra X-ray Center, which is operated by the Astrophysical Observatory for NASA under contract NAS8-03060, by the NNSA-DS and SC-OFES Joint Program in High-Energy-Density Laboratory Plasmas, grant number DE-NA0001840 and by the Predictive Sciences Academic Alliances Program in NNSA-ASC via grant DEFC52-08NA28616. Work by LLNL was performed under the auspices of U.S. DOE under contract DE-AC52-07NA27344. NR 33 TC 2 Z9 2 U1 3 U2 13 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1574-1818 EI 1878-0563 J9 HIGH ENERG DENS PHYS JI High Energy Density Phys. PD DEC PY 2015 VL 17 SI SI BP 52 EP 62 DI 10.1016/j.hedp.2014.07.003 PN A PG 11 WC Physics, Fluids & Plasmas SC Physics GA CY7ES UT WOS:000366571800010 ER PT J AU Bennett, MJ Lebedev, SV Hall, GN Suttle, L Burdiak, G Suzuki-Vidal, F Hare, J Swadling, G Patankar, S Bocchi, M Chittenden, JP Smith, R Frank, A Blackman, E Drake, RP Ciardi, A AF Bennett, M. J. Lebedev, S. V. Hall, G. N. Suttle, L. Burdiak, G. Suzuki-Vidal, F. Hare, J. Swadling, G. Patankar, S. Bocchi, M. Chittenden, J. P. Smith, R. Frank, A. Blackman, E. Drake, R. P. Ciardi, A. TI Formation of radiatively cooled, supersonically rotating, plasma flows in Z-pinch experiments: Towards the development of an experimental platform to study accretion disk physics in the laboratory SO HIGH ENERGY DENSITY PHYSICS LA English DT Article; Proceedings Paper CT 10th International Conference on High Energy Density Laboratory Astrophysics CY MAY, 2014 CL Bordeaux, FRANCE DE Laboratory astrophysics; Accretion disks; Supersonic flow; Rotating plasma; High energy density ID ARRAY Z-PINCHES; NUMERICAL SIMULATIONS; BINARIES; DYNAMICS AB We present data from the first Z-pinch experiments aiming to simulate aspects of accretion disk physics in the laboratory. Using off axis ablation flows from a wire array z-pinch we demonstrate the formation of a supersonically (M similar to 2) rotating hollow plasma cylinder of height similar to 4 mm and radius 2 mm. Using a combination of diagnostics we measure the rotation speed (similar to 60 kms(-1)), electron density (10(19) cm(-3)), ion temperature (Ti similar to 60 eV) and the product of electron temperature and average ionisation ( ZT(e) similar to 150 to 200 eV). Using these parameters we calculate the Reynolds number for the plasma on the order 10(5) and magnetic Reynolds number as 10 - 100. The plasma flow is maintained for 150 ns, corresponding to one rotation period, which should allow for studying fast instabilities which develop on this time- scale. (C) 2015 Elsevier B.V. All rights reserved. C1 [Bennett, M. J.; Lebedev, S. V.; Hall, G. N.; Suttle, L.; Burdiak, G.; Suzuki-Vidal, F.; Hare, J.; Swadling, G.; Patankar, S.; Bocchi, M.; Chittenden, J. P.; Smith, R.] Imperial Coll London, Blackett Lab, London, England. [Hall, G. N.] Lawrence Livermore Natl Lab, Berkeley, CA USA. [Frank, A.; Blackman, E.] Univ Rochester, Dept Phys & Astron, Rochester, NY 14627 USA. [Drake, R. P.] Univ Michigan, Dept Atmospher Ocean & Space Sci, Ann Arbor, MI 48109 USA. [Ciardi, A.] Univ Paris 06, Sorbonne Univ, LERMA, UMR 8112, F-75005 Paris, France. [Ciardi, A.] PSL Res Univ, Observ Paris, LERMA, CNRS,UMR 8112, F-75014 Paris, France. RP Bennett, MJ (reprint author), Imperial Coll London, Blackett Lab, London, England. EM m.bennett11@imperial.ac.uk; s.lebedev@imperial.ac.uk RI Drake, R Paul/I-9218-2012; OI Drake, R Paul/0000-0002-5450-9844; Swadling, George/0000-0001-8370-8837 FU EPSRC Grant [EP/G001324/1]; DOE [DE-F03-02NA00057, DE-SC-0001063] FX This work was supported in part by EPSRC Grant No. EP/G001324/1 and by DOE cooperative agreements No. DE-F03-02NA00057 and No. DE-SC-0001063. NR 17 TC 2 Z9 2 U1 3 U2 15 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1574-1818 EI 1878-0563 J9 HIGH ENERG DENS PHYS JI High Energy Density Phys. PD DEC PY 2015 VL 17 SI SI BP 63 EP 67 DI 10.1016/j.hedp.2015.02.001 PN A PG 5 WC Physics, Fluids & Plasmas SC Physics GA CY7ES UT WOS:000366571800011 ER PT J AU Espinosa, G Gil, JM Rodriguez, R Rubiano, JG Mendoza, MA Martel, P Minguez, E Suzuki-Vidal, F Lebedev, SV Swadling, GF Burdiak, G Pickworth, LA Skidmore, J AF Espinosa, G. Gil, J. M. Rodriguez, R. Rubiano, J. G. Mendoza, M. A. Martel, P. Minguez, E. Suzuki-Vidal, F. Lebedev, S. V. Swadling, G. F. Burdiak, G. Pickworth, L. A. Skidmore, J. TI Collisional-radiative simulations of a supersonic and radiatively cooled aluminum plasma jet SO HIGH ENERGY DENSITY PHYSICS LA English DT Article; Proceedings Paper CT 10th International Conference on High Energy Density Laboratory Astrophysics CY MAY, 2014 CL Bordeaux, FRANCE DE Aluminum plasmas; Supersonic jet; Radiatively cooled plasma jet; Kinetic population simulation ID LABORATORY ASTROPHYSICS; OPTICALLY THIN; CRITERIA; OUTFLOWS; PACKAGE; GASES; ATOMS; CODE AB A computational investigation based on collisional-radiative simulations of a supersonic and radiatively cooled aluminum plasma jet is presented. The jet, both in vacuum and in argon ambient gas, was produced on the MAGPIE (Mega Ampere Generator for Plasma Implosion Experiments) generator and is formed by ablation of an aluminum foil driven by a 1.4 MA, 250 ns current pulse in a radial foil Z-pinch configuration. In this work, population kinetics and radiative properties simulations of the jet in different theoretical approximations were performed. In particular, local thermodynamic equilibrium (LTE), non-LTE steady state (SS) and non-LTE time dependent (TD) models have been considered. This study allows us to make a convenient microscopic characterization of the aluminum plasma jet. (C) 2014 Elsevier B.V. All rights reserved. C1 [Espinosa, G.; Gil, J. M.; Rodriguez, R.; Rubiano, J. G.; Mendoza, M. A.; Martel, P.] Univ Las Palmas Gran Canaria, Dept Fis, Las Palmas Gran Canaria, Spain. [Gil, J. M.; Rodriguez, R.; Rubiano, J. G.; Martel, P.; Minguez, E.] Univ Politecn Madrid, Inst Fus Nucl, E-28006 Madrid, Spain. [Suzuki-Vidal, F.; Lebedev, S. V.; Swadling, G. F.; Burdiak, G.] Imperial Coll London, Plasma Phys Grp, London, England. [Pickworth, L. A.] Lawrence Livermore Natl Lab, Berkeley, CA USA. [Skidmore, J.] AWE Aldermaston, Reading, Berks, England. RP Espinosa, G (reprint author), Univ Las Palmas Gran Canaria, Dept Fis, Campus Tafira, Las Palmas Gran Canaria, Spain. EM gespinosa@girma.gi.ulpgc.es RI Swadling, George/S-5980-2016; OI Swadling, George/0000-0001-8370-8837; Pickworth, Louisa/0000-0002-0585-1934; Martel-Escobar, Pablo/0000-0001-7883-5970 FU Research Project of the Spanish Government [ENE2009-11208/FTN]; European Union FX This work has been supported by the Research Project of the Spanish Government (ENE2009-11208/FTN) and also by the Keep in touch and ToIFE Projects of the European Union. NR 31 TC 4 Z9 4 U1 1 U2 10 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1574-1818 EI 1878-0563 J9 HIGH ENERG DENS PHYS JI High Energy Density Phys. PD DEC PY 2015 VL 17 SI SI BP 74 EP 84 DI 10.1016/j.hedp.2014.10.008 PN A PG 11 WC Physics, Fluids & Plasmas SC Physics GA CY7ES UT WOS:000366571800013 ER PT J AU Holgado, AM Ferguson, JM McClarren, RG AF Holgado, A. M. Ferguson, J. M. McClarren, R. G. TI Anti-diffusive-like-behavior in semi-analytic radiative shocks via multigroup S-n transport with constant cross sections SO HIGH ENERGY DENSITY PHYSICS LA English DT Article DE Radiative shock; Semi-analytic; Multigroup; Planck function; Anti-diffusive AB Semi-analytic lab-frame radiative shock solutions have been presented recently, wherein the radiation is modeled with either grey (frequency independent) nonequilibrium-diffusion or grey S-n-transport. As a first step toward incorporating frequency dependence, we retain grey cross-sections such that the frequency dependence of the problem is strictly due to the Planck function. By using multigroup frequency integration the frequency-dependent radiation-transport equation may be solved, and group-dependent radiation temperatures may be defined for each group. Our main result is: When a Zel'dovich temperature spike exists in a radiative shock solution, there exists a transition group g(T), such that for all frequency groups below g(T) the group-dependent radiation temperatures are spatially monotonic, and for all frequency groups above g(T) the group-dependent radiation temperatures are spatially non-monotonic. We present numerical evidence of our claim and make no claim as to the monotonicity of group g(T). (C) 2015 Elsevier B.V. All rights reserved. C1 [Holgado, A. M.] Texas A&M Univ, Dept Phys & Astron, College Stn, TX 77843 USA. [Ferguson, J. M.] Los Alamos Natl Lab, X Theoret Div XTD, Los Alamos, NM 87545 USA. [McClarren, R. G.] Texas A&M Univ, Dept Nucl Engn, College Stn, TX 77843 USA. RP Ferguson, JM (reprint author), Los Alamos Natl Lab, X Theoret Div XTD, POB 1663, Los Alamos, NM 87545 USA. EM jmferguson@lanl.gov FU U.S. Department of Energy [B599687] FX This work was performed under the auspices of the U.S. Department of Energy, contract B599687. We are grateful to the anonymous reviewer for many helpful comments which improved the flow and quality of the article. NR 12 TC 0 Z9 0 U1 1 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1574-1818 EI 1878-0563 J9 HIGH ENERG DENS PHYS JI High Energy Density Phys. PD DEC PY 2015 VL 17 SI SI BP 114 EP 118 DI 10.1016/j.hedp.2015.03.004 PN A PG 5 WC Physics, Fluids & Plasmas SC Physics GA CY7ES UT WOS:000366571800018 ER PT J AU Hansen, EC Frank, A Hartigan, P Yirak, K AF Hansen, E. C. Frank, A. Hartigan, P. Yirak, K. TI Numerical simulations of Mach stem formation via intersecting bow shocks SO HIGH ENERGY DENSITY PHYSICS LA English DT Article DE Shock wave phenomena; Herbig-Haro objects; ISM; Mach stems; Jets and outflows ID HUBBLE-SPACE-TELESCOPE; MASS-LOSS; EMISSION; JETS; ACCRETION; STARS AB Hubble Space Telescope observations show bright knots of Ha emission within outflowing young stellar jets. Velocity variations in the flow create secondary bow shocks that may intersect and lead to enhanced emission. When the bow shocks intersect at or above a certain critical angle, a planar shock called a Mach stem is formed. These shocks could produce brighter Ha emission since the incoming flow to the Mach stem is parallel to the shock normal. In this paper we report first results of a study using 2-D numerical simulations designed to explore Mach stem formation at the intersection of bow shocks formed by hypersonic "bullets" or "clumps". Our 2-D simulations show how the bow shock shapes and intersection angles change as the adiabatic index gamma changes. We show that the formation or lack of a Mach stem in our simulations is consistent with the steady-state Mach stem formation theory. Our ultimate goal, which is part of an ongoing research effort, is to characterize the physical and observational consequences of bow shock intersections including the formation of Mach stems. (C) 2015 Elsevier B.V. All rights reserved. C1 [Hansen, E. C.; Frank, A.] Univ Rochester, Dept Phys & Astron, Rochester, NY 14627 USA. [Hartigan, P.] Rice Univ, Dept Phys & Astron, Houston, TX 77521 USA. [Yirak, K.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Hansen, EC (reprint author), Univ Rochester, Dept Phys & Astron, Rochester, NY 14627 USA. EM ehansen@pas.rochester.edu FU National Science Foundation [OCI-1053575, AST-0807363]; LLE at the University of Rochester, Space Telescope Science Institute grants [HST-AR-11251.01-A, HST-AR-12128.01-A]; Department of Energy [de-sc0001063] FX This work used the Extreme Science and Engineering Discovery Environment (XSEDE), which is supported by National Science Foundation grant number OCI-1053575. The CIRC at the University of Rochester provided computational resources. Financial support for this project was provided by the LLE at the University of Rochester, Space Telescope Science Institute grants HST-AR-11251.01-A and HST-AR-12128.01-A; by the National Science Foundation under award AST-0807363; by the Department of Energy under award de-sc0001063. NR 22 TC 1 Z9 1 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1574-1818 EI 1878-0563 J9 HIGH ENERG DENS PHYS JI High Energy Density Phys. PD DEC PY 2015 VL 17 SI SI BP 135 EP 139 DI 10.1016/j.hedp.2014.12.005 PN A PG 5 WC Physics, Fluids & Plasmas SC Physics GA CY7ES UT WOS:000366571800021 ER PT J AU Casner, A Martinez, D Smalyuk, V Masse, L Kane, JO Villette, B Fariaut, J Oudot, G Liberatore, S Mancini, RC Remington, BA Heeter, RF AF Casner, A. Martinez, D. Smalyuk, V. Masse, L. Kane, J. O. Villette, B. Fariaut, J. Oudot, G. Liberatore, S. Mancini, R. C. Remington, B. A. Heeter, R. F. TI Long duration X-ray drive hydrodynamics experiments relevant for laboratory astrophysics SO HIGH ENERGY DENSITY PHYSICS LA English DT Article DE National ignition facility; Hydrodynamic instabilities; High energy density laboratory astrophysics; Supernovae; Molecular clouds; Photoionization ID NATIONAL-IGNITION-FACILITY; INERTIAL CONFINEMENT FUSION; RAYLEIGH-TAYLOR; SUPERSONIC TURBULENCE; SCALING LAWS; BLAST-WAVE; INSTABILITY; DYNAMICS; FRONTS; MODEL AB The advent of high-power lasers facilities such as the National Ignition Facility (NIF), and the Laser Megajoule (LMJ) in the near future, opens a new era in the field of High Energy Density Laboratory Astrophysics. These versatile laser facilities will provide unique platforms to study the rich physics of nonlinear and turbulent mixing flows. The extended laser pulse duration could be harnessed to accelerate targets over much larger distances and longer time periods than previously achieved. We report on the first results acquired on NIF with the ablative Rayleigh-Taylor Instability (RTI) platform. A 20-ns X-ray drive is tailored to accelerate planar modulated samples into the highly-nonlinear bubble merger regime. Based on the analogy between flames front and ablation front, highly nonlinear RTI measurements at ablation front can provide important insights into the initial deflagration stage of thermonuclear supernova of Type Ia. We also report on an innovative concept used to create even longer drive on multi-beam laser facilities. The multi-barrel hohlraum (Gattling Gun) approach consists, here, of three adjacent cavities, driven in succession in time. This novel concept has been validated on the Omega EP laser system. The three cavities were irradiated with three 6-10 ns pulse UV beams and a 30 ns, 90 eV X-ray radiation drive was measured with the time-resolved X-ray spectrometer mu DMX. This concept is promising to investigate the pillar structures in the Eagle Nebula or for photoionization studies which require a steady light source of sufficient duration to recreate relevant physics. (C) 2014 Elsevier B.V. All rights reserved. C1 [Casner, A.; Masse, L.; Villette, B.; Fariaut, J.; Oudot, G.; Liberatore, S.] CEA, DAM, DIF, F-91297 Arpajon, France. [Martinez, D.; Smalyuk, V.; Kane, J. O.; Remington, B. A.; Heeter, R. F.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Mancini, R. C.] Univ Nevada, Reno, NV 89557 USA. RP Casner, A (reprint author), CEA, DAM, DIF, F-91297 Arpajon, France. EM alexis.casner@cea.fr RI Masse, Laurent/F-1476-2016; CASNER, Alexis/B-7458-2014 OI CASNER, Alexis/0000-0003-2176-1389 NR 45 TC 1 Z9 1 U1 1 U2 13 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1574-1818 EI 1878-0563 J9 HIGH ENERG DENS PHYS JI High Energy Density Phys. PD DEC PY 2015 VL 17 SI SI BP 146 EP 150 DI 10.1016/j.hedp.2014.09.003 PN A PG 5 WC Physics, Fluids & Plasmas SC Physics GA CY7ES UT WOS:000366571800023 ER PT J AU Montgomery, MH Falcon, RE Rochau, GA Bailey, JE Gomez, TA Carlson, AL Bliss, DE Nagayama, T Stein, M Winget, E AF Montgomery, M. H. Falcon, Ross E. Rochau, G. A. Bailey, J. E. Gomez, T. A. Carlson, A. L. Bliss, D. E. Nagayama, T. Stein, M. Winget, E. TI An experimental platform for creating white dwarf photospheres in the laboratory: Preliminary results SO HIGH ENERGY DENSITY PHYSICS LA English DT Article DE Laboratory experiments; Astrophysics; Hydrogen line profiles; Stellar atmospheres; White dwarf stars ID HIGH-DENSITY PLASMA; HE-II LINES; MASS-DISTRIBUTION; MEAN MASS; DA; STARS; PROFILES; ENERGY; TABLES; SDSS AB We present the current status of the White Dwarf Photosphere Experiment at the Z Pulsed Power Facility at Sandia National Laboratories. This experiment has evolved into a unique platform for simultaneously measuring emission, absorption, and back-lighter continua spectra of plasmas with white dwarf (WD) photospheric compositions and conditions (T-e similar to 1 eV, n(e)similar to 10(16)-10(18)e/cm(3)); our current experiments involve line profile measurements of hydrogen-corresponding to the most common surface composition in white dwarf stars, with future experiments planned for helium, carbon, and oxygen. These profiles will test line broadening theories used in white dwarf model atmospheres to infer the fundamental parameters (e.g., effective temperature and mass) of thousands of WDs. This experiment uses the large amount of x-rays generated from a z-pinch dynamic hohlraum to radiatively drive plasma formation in a gas cell. We reach significantly higher densities than the landmark study of Wiese et al. (1972), thereby putting competing line broadening theories to the test in a regime where their predictions strongly diverge. The simultaneous measurement of emission, absorption, and back-lighter continua in macroscopic plasmas represents a significant advance relative to hydrogen line profile experiments of the past. (C) 2015 Elsevier B.V. All rights reserved. C1 [Montgomery, M. H.; Falcon, Ross E.; Gomez, T. A.; Stein, M.; Winget, E.] Univ Texas Austin, Dept Astron, Austin, TX 78712 USA. [Montgomery, M. H.; Falcon, Ross E.; Gomez, T. A.; Stein, M.; Winget, E.] Univ Texas Austin, McDonald Observ, Austin, TX 78712 USA. [Falcon, Ross E.; Rochau, G. A.; Bailey, J. E.; Gomez, T. A.; Carlson, A. L.; Bliss, D. E.; Nagayama, T.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Montgomery, MH (reprint author), Univ Texas Austin, Dept Astron, RLM 15308, Austin, TX 78712 USA. EM mikemon@astro.as.utexas.edu FU Laboratory Directed Research and Development program; United States Department of Energy [DE-AC04-94AL85000]; National Science Foundation Graduate Research Fellowship Program [DGE-1110007]; Norman Hackerman Advanced Research Program [003658-0252-2009]; Department of Energy [DE-SC0010623]; National Physical Science Consortium FX We thank P.-E. Tremblay for providing tables of Stark-broadened hydrogen lines for use in line profile fitting to our data. This work was performed at Sandia National Laboratories and is supported by the Laboratory Directed Research and Development program. We thank the Z dynamic hohlraum, accelerator, diagnostics, materials processing, target fabrication, and wire array teams, without which we cannot run our experiments. 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. This work has made use of NASA's Astrophysics Data System Bibliographic Services. R.E.F. acknowledges support of the National Physical Science Consortium, T.A.G. acknowledges support from the National Science Foundation Graduate Research Fellowship Program under grant DGE-1110007, and R.E.F., T.A.G., M.H.M., and D.E.W. gratefully acknowledge support of the Norman Hackerman Advanced Research Program under grant 003658-0252-2009 and the Department of Energy under grant DE-SC0010623. NR 40 TC 1 Z9 1 U1 3 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1574-1818 EI 1878-0563 J9 HIGH ENERG DENS PHYS JI High Energy Density Phys. PD DEC PY 2015 VL 17 SI SI BP 168 EP 174 DI 10.1016/j.hedp.2015.01.004 PN A PG 7 WC Physics, Fluids & Plasmas SC Physics GA CY7ES UT WOS:000366571800027 ER PT J AU Higginson, DP Korneev, P Beard, J Chen, SN d'Humieres, E Pepin, H Pikuz, S Pollock, B Riquier, R Tikhonchuk, V Fuchs, J AF Higginson, D. P. Korneev, Ph Beard, J. Chen, S. N. d'Humieres, E. Pepin, H. Pikuz, S. Pollock, B. Riquier, R. Tikhonchuk, V. Fuchs, J. TI A novel platform to study magnetized high-velocity collisionless shocks SO HIGH ENERGY DENSITY PHYSICS LA English DT Article DE Astrophysical collisionless shocks; Magnetized plasmas; High-velocity-shocks ID COUNTER-STREAMING PLASMAS; PARTICLE-ACCELERATION; LASER; SIMULATIONS; GENERATION; DRIVEN; BEAMS AB An experimental platform to study the interaction of two colliding high-velocity (0.01-0.2 c; 0.05 -20 MeV) proton plasmas in a high strength (20 T) magnetic field is introduced. This platform aims to study the collision of magnetized plasmas accelerated via the Target-Normal-Sheath-Acceleration mechanism and initially separated by distances of a few hundred microns. The plasmas are accelerated from solid targets positioned inside a few cubic millimeter cavity located within a Helmholtz coil that provides up to 20 T magnetic fields. Various parameters of the plasmas at their interaction location are estimated. These show an interaction that is highly non-collisional, and that becomes more and more dominated by the magnetic fields as time progresses (from 5 to 60 ps). Particle-in-cell simulations are used to reproduce the initial acceleration of the plasma both via simulations including the laser interaction and via simulations that start with preheated electrons (to save dramatically on computational expense). The benchmarking of such simulations with the experiment and with each other will be used to understand the physical interaction when a magnetic field is applied. Finally, the experimental density profile of the interacting plasmas is shown in the case without an applied magnetic magnetic field, so to show that without an applied field that the development of high-velocity shocks, as a result of particle-to-particle collisions, is not achievable in the configuration considered. (C) 2014 Elsevier B.V. All rights reserved. C1 [Higginson, D. P.; Chen, S. N.; Riquier, R.; Fuchs, J.] Univ Paris 06, Lab Utilisat Lasers Intenses, Ecole Polytech, CNRS,CEA,UMR 7605, F-91128 Palaiseau, France. [Korneev, Ph; d'Humieres, E.; Tikhonchuk, V.] Univ Bordeaux, CNRS, CEA, CELIA,UMR5107, F-33405 Talence, France. [Korneev, Ph; Pikuz, S.] Natl Res Nucl Univ MEPhI, Moscow 115409, Russia. [Beard, J.] UJF, UPS, INSA, LNCMI,UPR 3228,CNRS, F-31400 Toulouse, France. [Pepin, H.] INRS, EMT, Varennes, PQ J3X 1S2, Canada. [Pikuz, S.] RAS, Joint Inst High Temp, Moscow 125412, Russia. [Pollock, B.] Lawrence Livermore Natl Lab, Livermore, CA 94440 USA. [Riquier, R.] CEA, DAM, DIF, F-91297 Arpajon, France. RP Higginson, DP (reprint author), Univ Paris 06, Lab Utilisat Lasers Intenses, Ecole Polytech, CNRS,CEA,UMR 7605, F-91128 Palaiseau, France. EM drew.higginson@polytechnique.edu RI Fuchs, Julien/D-3450-2016; Higginson, Drew/G-5942-2016; Korneev, Philipp/B-1138-2010 OI Fuchs, Julien/0000-0001-9765-0787; Higginson, Drew/0000-0002-7699-3788; Korneev, Philipp/0000-0002-5042-2936 FU ANR Blanc Grant [12-BS09-025-01 SILAMPA]; Agence Nationale de la Recherche [11-IDEX-0004-02]; U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; RFBR foundation [14-29-06099, 15-32-21121]; GENCI (Grand Equipement National de Calcul Intensif) [2014-056129] FX The authors thank S. Andrews, J. Bonlie, C. Bruns, R. C. Cauble, D. Cloyne, R. Costa and the entire staff of the Titan Laser and the Jupiter Laser facility for their support during the experimental preparation and execution. Thanks goes to Dr. T. Vinci for development of the Neutrino code [27] and advice on its use. This work was supported by ANR Blanc Grant no 12-BS09-025-01 SILAMPA. This work was partly done within the LABEX Plas@Par project and supported by Grant No. 11-IDEX-0004-02 from Agence Nationale de la Recherche. 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 granted access to the HPC resources of CINES under the allocation 2014-056129 made by GENCI (Grand Equipement National de Calcul Intensif). S. Pikuz acknowledge the support of RFBR foundation in the frame of projects #14-29-06099 and #15-32-21121. NR 27 TC 2 Z9 2 U1 3 U2 8 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1574-1818 EI 1878-0563 J9 HIGH ENERG DENS PHYS JI High Energy Density Phys. PD DEC PY 2015 VL 17 SI SI BP 190 EP 197 DI 10.1016/j.hedp.2014.11.007 PN A PG 8 WC Physics, Fluids & Plasmas SC Physics GA CY7ES UT WOS:000366571800030 ER PT J AU Di Stefano, CA Malamud, G Kuranz, CC Klein, SR Drake, RP AF Di Stefano, C. A. Malamud, G. Kuranz, C. C. Klein, S. R. Drake, R. P. TI Measurement of Richtmyer-Meshkov mode coupling under steady shock conditions and at high energy density SO HIGH ENERGY DENSITY PHYSICS LA English DT Article DE Hydrodynamic instability; Laser; Richtmyer-Meshkov; Shock waves; Laboratory experiments ID RAYLEIGH-TAYLOR; NONLINEAR EVOLUTION; OMEGA-EP; INSTABILITY; HYDRODYNAMICS; INTERFACE; DESIGN; GROWTH; SUPERNOVAE; FRONTS AB We present experiments observing Richtmyer-Meshkov mode coupling and bubble competition in a system arising from well-characterized initial conditions and driven by a strong (Mach similar to 8) shock. These measurements and the analysis method developed to interpret them provide an important step toward the possibility of observing self-similarity under such conditions, as well as a general platform for performing and analyzing hydrodynamic instability experiments. A key feature of these experiments is that the shock is sustained sufficiently long that this nonlinear behavior occurs without decay of the shock velocity or other hydrodynamic properties of the system, which facilitates analysis and allows the results to be used in the study of analytic models. Published by Elsevier B.V. C1 [Di Stefano, C. A.; Malamud, G.; Kuranz, C. C.; Klein, S. R.; Drake, R. P.] Univ Michigan, Dept Climate & Space Sci & Engn, Ann Arbor, MI 48109 USA. [Di Stefano, C. A.] Los Alamos Natl Lab, Los Alamos, NM 87507 USA. [Malamud, G.] Nucl Res Ctr Negev, Dept Phys, IL-84190 Beer Sheva, Israel. RP Di Stefano, CA (reprint author), Univ Michigan, Dept Climate & Space Sci & Engn, Ann Arbor, MI 48109 USA. EM gmalamud@gmail.com RI Drake, R Paul/I-9218-2012; OI Drake, R Paul/0000-0002-5450-9844; Di Stefano, Carlos/0000-0001-6166-3519 FU NNSA-DS; National Laser User Facility Program [DE-NA0002032]; Laboratory for Laser Energetics, University of Rochester by the NNSA/OICF [DE-FC52-08NA28302]; U.S. Department of Energy through Los Alamos National Laboratory [DE-AC52-06NA25396]; SC-OFES Joint Program in High-Energy-Density Laboratory Plasmas [DE-NA0001840] FX Experiments, analysis, and initial manuscript preparation were performed by the University of Michigan under the funding of the NNSA-DS and SC-OFES Joint Program in High-Energy-Density Laboratory Plasmas, grant number DE-NA0001840, and by the National Laser User Facility Program, grant number DE-NA0002032, and through the Laboratory for Laser Energetics, University of Rochester by the NNSA/OICF under Cooperative Agreement No. DE-FC52-08NA28302. Further editing of the manuscript was supported by the U.S. Department of Energy through Los Alamos National Laboratory under Contract DE-AC52-06NA25396." NR 40 TC 1 Z9 1 U1 4 U2 12 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1574-1818 EI 1878-0563 J9 HIGH ENERG DENS PHYS JI High Energy Density Phys. PD DEC PY 2015 VL 17 BP 263 EP 269 DI 10.1016/j.hedp.2015.09.001 PN B PG 7 WC Physics, Fluids & Plasmas SC Physics GA CY7FE UT WOS:000366573000006 ER PT J AU Yang, YF Xu, WD Neill, T Hu, ZB Wang, CH Xiao, XH Stock, SR Guise, T Yun, CO Brendler, CB Iozzo, RV Seth, P AF Yang, Yuefeng Xu, Weidong Neill, Thomas Hu, Zebin Wang, Chi-Hsiung Xiao, Xianghui Stock, Stuart R. Guise, Theresa Yun, Chae-Ok Brendler, Charles B. Iozzo, Renato V. Seth, Prem TI Systemic Delivery of an Oncolytic Adenovirus Expressing Decorin for the Treatment of Breast Cancer Bone Metastases SO HUMAN GENE THERAPY LA English DT Article ID GROWTH-FACTOR-BETA; CADHERIN IN-VITRO; MEDIATED INHIBITION; TGF-BETA; EXTRACELLULAR-MATRIX; CARCINOMA CELLS; AUTOPHAGY; ANGIOGENESIS; RECEPTOR; MODEL AB The development of novel therapies for breast cancer bone metastasis is a major unmet medical need. Toward that end, we have constructed an oncolytic adenovirus, Ad.dcn, and a nonreplicating adenovirus, Ad(E1-).dcn, both containing the human decorin gene. Our in vitro studies showed that Ad.dcn produced high levels of viral replication and the decorin protein in the breast tumor cells. Ad(E1-).dcn-mediated decorin expression in MDA-MB-231 cells downregulated the expression of Met, -catenin, and vascular endothelial growth factor A, all of which are recognized decorin targets and play pivotal roles in the progression of breast tumor growth and metastasis. Adenoviral-mediated decorin expression inhibited cell migration and induced mitochondrial autophagy in MDA-MB-231 cells. Mice bearing MDA-MB-231-luc skeletal metastases were systemically administered with the viral vectors, and skeletal tumor growth was monitored over time. The results of bioluminescence imaging and X-ray radiography indicated that Ad.dcn and Ad(E1-).dcn significantly inhibited the progression of bone metastases. At the terminal time point, histomorphometric analysis, micro-computed tomography, and bone destruction biomarkers showed that Ad.dcn and Ad(E1-).dcn reduced tumor burden and inhibited bone destruction. A nonreplicating adenovirus Ad(E1-).luc expressing the luciferase 2 gene had no significant effect on inhibiting bone metastases, and in several assays, Ad.dcn and Ad(E1-).dcn were better than Ad.luc, a replicating virus expressing the luciferase 2 gene. Our data suggest that adenoviral replication coupled with decorin expression could produce effective antitumor responses in a MDA-MB-231 bone metastasis model of breast cancer. Thus, Ad.dcn could potentially be developed as a candidate gene therapy vector for treating breast cancer bone metastases. C1 [Yang, Yuefeng; Xu, Weidong; Seth, Prem] NorthShore Res Inst, Dept Med, Gene Therapy Program, Evanston, IL 60201 USA. [Neill, Thomas; Iozzo, Renato V.] Thomas Jefferson Univ, Dept Pathol Anat & Cell Biol, Kimmel Canc Ctr, Philadelphia, PA 19107 USA. [Neill, Thomas; Iozzo, Renato V.] Thomas Jefferson Univ, Canc Cell Biol & Signaling Program, Kimmel Canc Ctr, Philadelphia, PA 19107 USA. [Hu, Zebin] Natl Inst Food & Drug Control, Div In Vitro Diagnost Reagents 1, Beijing, Peoples R China. [Wang, Chi-Hsiung; Brendler, Charles B.] NorthShore Res Inst, Dept Surg, Evanston, IL 60201 USA. [Xiao, Xianghui] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Stock, Stuart R.] Northwestern Univ, Dept Cell & Mol Biol, Chicago, IL 60611 USA. [Guise, Theresa] Indiana Univ, Dept Med, Indianapolis, IN USA. [Yun, Chae-Ok] Hanyang Univ, Dept Bioengn, Seoul 133791, South Korea. RP Seth, P (reprint author), NorthShore Res Inst, Dept Med, Gene Therapy Program, 2650 Ridge Ave,Room B 652, Evanston, IL 60201 USA. EM pseth@northshore.org OI Yun, Chae-Ok/0000-0002-9466-4531; Iozzo, Renato/0000-0002-5908-5112 FU National Institutes of Health [R01CA12738, R01 CA39481, RO1 CA47282]; CTSA Pilot Award from NorthShore University HealthSystem; DOE Office of Science [DE-AC02-06CH11357] FX This work was funded in part by the National Institutes of Health Grants R01CA12738 (P.S.) and R01 CA39481 and RO1 CA47282 (R.V.I.), and a CTSA Pilot Award (P.S.) from NorthShore University HealthSystem. We are thankful to an anonymous donor for generous philanthropic support. This research used resources of the Advanced Photon Source, a U.S. Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory under Contract No. DE-AC02-06CH11357. We are thankful to Janardan Khandekar, Theodore Mazzone, Bruce Brockstein, and Michael Caplan for their continuous support. NR 59 TC 5 Z9 5 U1 2 U2 12 PU MARY ANN LIEBERT, INC PI NEW ROCHELLE PA 140 HUGUENOT STREET, 3RD FL, NEW ROCHELLE, NY 10801 USA SN 1043-0342 EI 1557-7422 J9 HUM GENE THER JI Hum. Gene Ther. PD DEC 1 PY 2015 VL 26 IS 12 BP 813 EP 825 DI 10.1089/hum.2015.098 PG 13 WC Biotechnology & Applied Microbiology; Genetics & Heredity; Medicine, Research & Experimental SC Biotechnology & Applied Microbiology; Genetics & Heredity; Research & Experimental Medicine GA CZ0YV UT WOS:000366833500006 PM 26467629 ER PT J AU Sen, S AF Sen, Satyabrata TI Low-Rank Matrix Decomposition and Spatio-Temporal Sparse Recovery for STAP Radar SO IEEE JOURNAL OF SELECTED TOPICS IN SIGNAL PROCESSING LA English DT Article DE Convex relaxation; low-rank matrix; matrix shrinkage operator; semidefinite program; space-time adaptive processing; sparse signal processing; trace minimization problem ID NONLINEAR DIMENSIONALITY REDUCTION; ADAPTIVE MATCHED-FILTER; AIRBORNE RADAR; COVARIANCE-MATRIX; MINIMUM-RANK; KNOWLEDGE; OPTIMIZATION; PERFORMANCE; SIGNAL; REPRESENTATION AB We develop space-time adaptive processing (STAP) methods by leveraging the advantages of sparse signal processing techniques in order to detect a slowly-moving target. We observe that the inherent sparse characteristics of a STAP problem can be formulated as the low-rankness of clutter covariance matrix when compared to the total adaptive degrees-of-freedom, and also as the sparse interference spectrum on the spatio-temporal domain. By exploiting these sparse properties, we propose two approaches for estimating the interference covariance matrix. In the first approach, we consider a constrained matrix rank minimization problem (RMP) to decompose the sample covariance matrix into a low-rank positive semidefinite and a diagonal matrix. The solution of RMP is obtained by applying the trace minimization technique and the singular value decomposition with matrix shrinkage operator. Our second approach deals with the atomic norm minimization problem to recover the clutter response-vector that has a sparse support on the spatio-temporal plane. We use convex relaxation based standard sparse-recovery techniques to find the solutions. With extensive numerical examples, we demonstrate the performances of proposed STAP approaches with respect to both the ideal and practical scenarios, involving Doppler-ambiguous clutter ridges, spatial and temporal decorrelation effects. The low-rank matrix decomposition based solution requires secondary measurements as many as twice the clutter rank to attain a near-ideal STAP performance; whereas the spatio-temporal sparsity based approach needs a considerably small number of secondary data. C1 [Sen, Satyabrata] Oak Ridge Natl Lab, Comp Sci & Math Div, Ctr Engn Syst Adv Res, Oak Ridge, TN 37831 USA. RP Sen, S (reprint author), Oak Ridge Natl Lab, Comp Sci & Math Div, Ctr Engn Syst Adv Res, Oak Ridge, TN 37831 USA. EM sens@ornl.gov OI Sen, Satyabrata/0000-0001-9918-4409 FU U.S. Missile Defense Agency (MDA) at the Oak Ridge National Laboratory; U.S. Department of Energy [DE-AC05-00OR22725] FX This work was supported in part by the U.S. Missile Defense Agency (MDA) at the Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the U.S. Department of Energy, under contract DE-AC05-00OR22725. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government 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). The guest editor coordinating the review of this manuscript and approving it for publication was Dr. Jean-Philippe Ovarlez. NR 78 TC 4 Z9 4 U1 5 U2 14 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1932-4553 EI 1941-0484 J9 IEEE J-STSP JI IEEE J. Sel. Top. Signal Process. PD DEC PY 2015 VL 9 IS 8 BP 1510 EP 1523 DI 10.1109/JSTSP.2015.2464187 PG 14 WC Engineering, Electrical & Electronic SC Engineering GA CY5SD UT WOS:000366466800014 ER PT J AU Bollinger, DS Karns, PR Tan, CY AF Bollinger, Daniel S. Karns, Patrick R. Tan, Cheng-Yang TI A Cookbook for Building a High-Current Dimpled H- Magnetron Source for Accelerators SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article DE Ion beams; ion sources; particle beams. ID SURFACE PLASMA SOURCES AB A high-current (>50 mA) dimpled H- magnetron source has been built at Fermilab for supplying H- beam to the entire accelerator complex. Despite many decades of expertise with slit H- magnetron sources at Fermilab, we were faced with many challenges from the dimpled H- magnetron source, which needed to be overcome in order to make it operational. Dimpled H- sources for high-energy physics are not new: Brookhaven National Laboratory has operated a dimpled H- source for more than two decades. However, the transference of that experience to Fermilab took about two years because a cookbook for building this type of source did not exist and seemingly innocuous or undocumented choices had a huge impact on the success or failure for this type of source. Therefore, it is the goal of this paper to document the reasons for these choices and to present a cookbook for building and operating dimpled H- magnetron sources. C1 [Bollinger, Daniel S.; Karns, Patrick R.; Tan, Cheng-Yang] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Bollinger, DS (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM bollinger@fnal.gov; karns@fnal.gov; cytan@fnal.gov FU Fermi National Accelerator Laboratory, Office of Science, Fermi Research Alliance, LLC, within the U.S. Department of Energy [DE-AC02-07CH11359] FX This work was supported by the Fermi National Accelerator Laboratory, Office of Science, Fermi Research Alliance, LLC, within the U.S. Department of Energy, under Contract DE-AC02-07CH11359. NR 20 TC 0 Z9 0 U1 1 U2 2 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0093-3813 EI 1939-9375 J9 IEEE T PLASMA SCI JI IEEE Trans. Plasma Sci. PD DEC PY 2015 VL 43 IS 12 BP 4110 EP 4122 DI 10.1109/TPS.2015.2491266 PN 2 PG 13 WC Physics, Fluids & Plasmas SC Physics GA CY5TN UT WOS:000366470500007 ER PT J AU Ekdahl, C AF Ekdahl, Carl TI Electron-Beam Dynamics for an Advanced Flash-Radiography Accelerator SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article DE Electron beam instabilities; flash radiography; linear induction accelerator (LIA). ID LINEAR INDUCTION ACCELERATOR; DIOCOTRON INSTABILITY AB Beam dynamics issues were assessed for a new linear induction electron accelerator being designed for multipulse flash radiography of large explosively driven hydrodynamic experiments. Special attention was paid to equilibrium beam transport, possible emittance growth, and beam stability. Especially problematic would be high-frequency beam instabilities that could blur individual radiographic source spots, lowfrequency beam motion that could cause pulse-to-pulse spot displacement, and emittance growth that could enlarge the source spots. Beam physics issues were examined through theoretical analysis and computer simulations, including particle-in-cell codes. Beam instabilities investigated included beam breakup, image displacement, diocotron, parametric envelope, ion hose, and the resistive wall instability. Beam corkscrew motion and emittance growth from beam mismatch were also studied. It was concluded that a beam with radiographic quality equivalent to the present accelerators at Los Alamos National Laboratory will result if the same engineering standards and construction details are upheld. C1 [Ekdahl, Carl] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Ekdahl, C (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM cekdahl@lanl.gov FU National Nuclear Security Administration of the U. S. Department of Energy [DE-AC52-06NA25396] FX This work was supported by the National Nuclear Security Administration of the U. S. Department of Energy under Contract DE-AC52-06NA25396. NR 32 TC 1 Z9 1 U1 1 U2 2 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0093-3813 EI 1939-9375 J9 IEEE T PLASMA SCI JI IEEE Trans. Plasma Sci. PD DEC PY 2015 VL 43 IS 12 BP 4123 EP 4129 DI 10.1109/TPS.2015.2496499 PN 2 PG 7 WC Physics, Fluids & Plasmas SC Physics GA CY5TN UT WOS:000366470500008 ER PT J AU Elizondo-Decanini, JM Coleman, D Moorman, M Petney, S Dudley, E Youngman, K Penner, T Fang, L Myers, K AF Elizondo-Decanini, Juan M. Coleman, Dale Moorman, Matthew Petney, Sharon Dudley, Evan Youngman, Kevin Penner, Tim Fang, Lu Myers, Kathy TI Soliton Production With Nonlinear Homogeneous Lines SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article DE Capacitors; diodes; n-p junction; nonlinear; solitons; transmission lines. ID TRANSMISSION-LINES; GENERATION AB Low- and high-voltage Soliton waves were produced and used to demonstrate collision and compression using diodebased nonlinear transmission lines. Experiments demonstrate soliton addition and compression using homogeneous nonlinear lines. The nonlinear lines were built using commercially available diodes. These diodes are chosen after their capacitance versus voltage dependence is used in a model and the line design characteristics are calculated and simulated. Nonlinear ceramic capacitors are then used to demonstrate high-voltage pulse amplification and compression. The line is designed such that a simple capacitor discharge, input signal, develops soliton trains in as few as 12 stages. We demonstrated output voltages in excess of 40 kV using Y5V-based commercial capacitors. The results show some key features that determine efficient production of trains of solitons in the kilovolt range. C1 [Elizondo-Decanini, Juan M.; Coleman, Dale; Moorman, Matthew; Petney, Sharon; Dudley, Evan; Youngman, Kevin; Penner, Tim; Fang, Lu; Myers, Kathy] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Elizondo-Decanini, JM (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM jmelizo@sandia.gov; pdcolem@sandia.gov; mmoorma@sandia.gov; svpetne@sandia.gov; ecdudle@sandia.gov; kyoungm@sandia.gov; tdpenne@sandia.gov; lfang@sandia.gov; kmyers@sandia.gov FU Sandia National Laboratories, National Nuclear Security Administration through the Laboratory Directed Research and Development office FX This work was supported by Sandia National Laboratories, National Nuclear Security Administration through the Laboratory Directed Research and Development office. NR 13 TC 1 Z9 1 U1 2 U2 5 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0093-3813 EI 1939-9375 J9 IEEE T PLASMA SCI JI IEEE Trans. Plasma Sci. PD DEC PY 2015 VL 43 IS 12 BP 4136 EP 4142 DI 10.1109/TPS.2015.2497233 PN 2 PG 7 WC Physics, Fluids & Plasmas SC Physics GA CY5TN UT WOS:000366470500010 ER PT J AU Jia, XH Chen, ZY Riedel, A Si, T Hamel, WR Zhang, MJ AF Jia, Xinghua Chen, Zongyao Riedel, Andrew Si, Ting Hamel, William R. Zhang, Mingjun TI Energy-Efficient Surface Propulsion Inspired by Whirligig Beetles SO IEEE TRANSACTIONS ON ROBOTICS LA English DT Article DE Bioinspired swimming robot; energy-efficient; propulsion ID ROBOT; FIN AB The whirligig beetle, claimed to be one of the most energy-efficient swimmers in the animal kingdom, has evolved a series of propulsion strategies that may serve as a source of inspiration for the design of propulsion mechanisms for energy-efficient surface swimming. In this paper, we introduce a robot platform that was developed to test an energy-efficient propulsion mechanism inspired by the whirligig beetle. A propulsor-body-fluid interaction dynamics model is proposed, and based on this model, the propulsor flexural rigidity and beating patterns are optimized in order to achieve energy-efficient linear swimming and turning. The optimization results indicate that a propulsor with decreasing flexural rigidity enhances vortex shedding and improves thrust generation. It has also been found that an alternating asymmetrical beating sequence and optimal beating frequency of 0.71 Hz improves propulsion efficiency for linear swimming of the robot. The alternating beating of the outboard propulsors and the unfolded inboard propulsors working as brakes results in efficient turning with a smaller turning radius. Both simulation and experimental studies were conducted, and the results illustrate that decreasing flexural rigidity along the propulsor length, an oscillating body motion, and an S-shaped trajectory are critical for energy-efficient propulsion of the robot. C1 [Jia, Xinghua; Zhang, Mingjun] Ohio State Univ, Dept Biomed Engn, Columbus, OH 43210 USA. [Jia, Xinghua; Zhang, Mingjun] Ohio State Univ, Dorothy M Davis Heart & Lung Res Inst, Columbus, OH 43210 USA. [Chen, Zongyao; Hamel, William R.] Univ Tennessee, Dept Mech Aerosp & Biomed Engn, Knoxville, TN 37996 USA. [Chen, Zongyao] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Riedel, Andrew] Univ Tennessee, Dept Elect Engn & Comp Sci, Knoxville, TN 37996 USA. [Si, Ting] Univ Sci & Technol China, Dept Modern Mech, Hefei 230026, Peoples R China. [Si, Ting] Univ Sci & Technol China, Ctr Biomed Engn, Hefei 230026, Peoples R China. RP Jia, XH (reprint author), Ohio State Univ, Dept Biomed Engn, Columbus, OH 43210 USA. EM jia.243@osu.edu; zchen25@utk.edu; ariedel@utk.edu; tsi@ustc.edu.cn; whamel@ibme.utk.edu; zhang.4882@osu.edu FU Office of Naval Research Young Investigator Program Award [ONR-N00014-11-1-0622] FX This paper was recommended for publication by Associate Editor I. H. Suh and Editor B. J. Nelson upon evaluation of the reviewers' comments. This work was supported by the Office of Naval Research Young Investigator Program Award (ONR-N00014-11-1-0622) under supervision of Dr. T. McKenna. NR 20 TC 1 Z9 1 U1 6 U2 14 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1552-3098 EI 1941-0468 J9 IEEE T ROBOT JI IEEE Trans. Robot. PD DEC PY 2015 VL 31 IS 6 BP 1432 EP 1443 DI 10.1109/TRO.2015.2493501 PG 12 WC Robotics SC Robotics GA CY8MR UT WOS:000366663300013 ER PT J AU Lu, IT Hsieh, YC Chen, PC Wu, PW AF Lu, I-Te Hsieh, Yu-Chi Chen, Po-Chun Wu, Pu-Wei TI EQCM Study on Pulse Current Pt Electrodeposition SO INTERNATIONAL JOURNAL OF ELECTROCHEMICAL SCIENCE LA English DT Article DE Pulse Current Electrodeposition; EQCM; Platinum; Electrodeposition Efficiency ID QUARTZ-CRYSTAL MICROBALANCE; PLATINUM NANOPARTICLES; OXYGEN REDUCTION; ELECTROCATALYTIC OXIDATION; CATALYTIC-ACTIVITY; FUEL-CELLS; ADSORPTION; DEPOSITION; AU(111); CARBON AB Electrochemical Quartz Crystal Microbalance (EQCM) was used to investigate the events occurring during current-on (T-on) and current-off (T-off) for pulse current electrodeposition of Pt in both air and Ar atmospheres. The EQCM profiles indicated a transient mass loss when the current was turned on, followed by a linear mass gain associated with the Pt electrodeposition from the H2PtCl6 plating bath. During the T-off, the mass revealed a steady increase until it leveled off after 10 sec. The minute transient mass loss during the initial stage of T-on was attributed to the reduction of the adsorbed PtCl62- whereas the mass gain during the T-off was due to the absorption of PtCl62- onto the freshly-deposited Pt surface. In air atmosphere, the parasitic oxygen reduction reaction consumed part of the reduction current and thus, reduced the Pt plating efficiency by 6%. In addition, smaller mass gains during T-off and T-on were observed for the Pt plating in air atmosphere. C1 [Lu, I-Te; Chen, Po-Chun; Wu, Pu-Wei] Natl Chiao Tung Univ, Dept Mat Sci & Engn, Hsinchu 30010, Taiwan. [Hsieh, Yu-Chi] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Chen, Po-Chun] Natl Chiao Tung Univ, Biomed Elect Translat Res Ctr, Hsinchu 30010, Taiwan. RP Lu, IT (reprint author), Natl Chiao Tung Univ, Dept Mat Sci & Engn, Hsinchu 30010, Taiwan. EM pcchen@g2.nctu.edu.tw; ppwu@mail.nctu.edu.tw FU Taiwan Ministry of Science and Technology [MOST-104-2220-E-009-005]; National Chiao Tung University; Ministry of Education, Taiwan, R.O.C. FX This work was fully supported by the Taiwan Ministry of Science and Technology under grant numbers (MOST-104-2220-E-009-005), and in part by "Aim for the Top University Plan" of the National Chiao Tung University and Ministry of Education, Taiwan, R.O.C. NR 45 TC 0 Z9 0 U1 9 U2 27 PU ESG PI BELGRADE PA BORIVOJA STEVANOVICA 25-7, BELGRADE, 11000, SERBIA SN 1452-3981 J9 INT J ELECTROCHEM SC JI Int. J. Electrochem. Sci. PD DEC PY 2015 VL 10 IS 12 BP 10199 EP 10209 PG 11 WC Electrochemistry SC Electrochemistry GA CY3KA UT WOS:000366307100034 ER PT J AU Bonfils, CJW Santer, BD Phillips, TJ Marvel, K Leung, LR Doutriaux, C Capotondi, A AF Bonfils, Celine J. W. Santer, Benjamin D. Phillips, Thomas J. Marvel, Kate Leung, L. Ruby Doutriaux, Charles Capotondi, Antonietta TI Relative Contributions of Mean-State Shifts and ENSO-Driven Variability to Precipitation Changes in a Warming Climate SO JOURNAL OF CLIMATE LA English DT Article DE Circulation; Dynamics; ENSO; Atm; Ocean Structure; Phenomena; Precipitation; Physical Meteorology and Climatology; Climate change; Regional effects; Models and modeling; General circulation models; Variability; Climate variability ID GENERAL-CIRCULATION MODELS; MADDEN-JULIAN OSCILLATION; EL-NINO TELECONNECTIONS; PACIFIC-OCEAN; INDO-PACIFIC; GLOBAL PRECIPITATION; NORTH-AMERICA; UNITED-STATES; PATTERNS; EVENTS AB El Nino-Southern Oscillation (ENSO) is an important driver of regional hydroclimate variability through far-reaching teleconnections. This study uses simulations performed with coupled general circulation models (CGCMs) to investigate how regional precipitation in the twenty-first century may be affected by changes in both ENSO-driven precipitation variability and slowly evolving mean rainfall. First, a dominant, time-invariant pattern of canonical ENSO variability (cENSO) is identified in observed SST data. Next, the fidelity with which 33 state-of-the-art CGCMs represent the spatial structure and temporal variability of this pattern (as well as its associated precipitation responses) is evaluated in simulations of twentieth-century climate change. Possible changes in both the temporal variability of this pattern and its associated precipitation teleconnections are investigated in twenty-first-century climate projections. Models with better representation of the observed structure of the cENSO pattern produce winter rainfall teleconnection patterns that are in better accord with twentieth-century observations and more stationary during the twenty-first century. Finally, the model-predicted twenty-first-century rainfall response to cENSO is decomposed into the sum of three terms: 1) the twenty-first-century change in the mean state of precipitation, 2) the historical precipitation response to the cENSO pattern, and 3) a future enhancement in the rainfall response to cENSO, which amplifies rainfall extremes. By examining the three terms jointly, this conceptual framework allows the identification of regions likely to experience future rainfall anomalies that are without precedent in the current climate. C1 [Bonfils, Celine J. W.; Santer, Benjamin D.; Phillips, Thomas J.; Marvel, Kate; Doutriaux, Charles] Lawrence Livermore Natl Lab, Program Climate Model Diag & Intercomparison, Livermore, CA 94550 USA. [Leung, L. Ruby] Pacific NW Natl Lab, Richland, WA 99352 USA. [Capotondi, Antonietta] Univ Colorado, Boulder, CO 80309 USA. [Capotondi, Antonietta] NOAA, Earth Syst Res Lab, Boulder, CO USA. RP Bonfils, CJW (reprint author), Lawrence Livermore Natl Lab, Program Climate Model Diag & Intercomparison, POB 808,Mail Stop L-103, Livermore, CA 94550 USA. EM bonfils2@llnl.gov RI Santer, Benjamin/F-9781-2011 FU Climate and Environmental Sciences Division (CESD); Regional and Global Climate Modeling (RGCM) Program of the U.S. Department of Energy (DOE) Office of Science; U.S. DOE Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Laboratory Directed Research and Development award [13-ERD-032]; DOE/OBER Early Career Research Program [SCW1295] FX We acknowledge the World Climate Research Programme's Working Group on Coupled Modelling, which is responsible for CMIP, and we thank the climate modeling groups (listed in Table S1 of this paper) 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 led development of software infrastructure in partnership with the Global Organization for Earth System Science Portals. CMIP5 data processing was enabled by the CDAT analysis package. A. Dai (University at Albany) calculated the second PC of the PDSI dataset (as in Fig. 2d). This work was supported by the Climate and Environmental Sciences Division (CESD) and the Regional and Global Climate Modeling (RGCM) Program of the U.S. Department of Energy (DOE) Office of Science and was performed under the auspices of the U.S. DOE Lawrence Livermore National Laboratory (Contract DE-AC52-07NA27344). K.M. was supported by a Laboratory Directed Research and Development award (13-ERD-032). C.B. was fully supported by the DOE/OBER Early Career Research Program Award SCW1295. We thank our three reviewers for their very helpful and constructive comments, which have substantially improved our paper. NR 56 TC 3 Z9 3 U1 3 U2 26 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 0894-8755 EI 1520-0442 J9 J CLIMATE JI J. Clim. PD DEC PY 2015 VL 28 IS 24 BP 9997 EP 10013 DI 10.1175/JCLI-D-15-0341.1 PG 17 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA CY9IO UT WOS:000366720800027 ER PT J AU Garcia, IG Howe, K March-Russell, J AF Garcia, Isabel Garcia Howe, Kiel March-Russell, John TI Natural Scherk-Schwarz theories of the weak scale SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE Supersymmetry Phenomenology; Phenomenology of Field Theories in Higher Dimensions ID SUPERSYMMETRIC STANDARD MODEL; KALUZA-KLEIN THEORIES; HIGGS MASS; ELECTROWEAK BREAKING; BROKEN SUPERSYMMETRY; RADION STABILIZATION; DIMENSIONAL ANALYSIS; SYMMETRY-BREAKING; EXTRA DIMENSIONS; PP COLLISIONS AB Natural supersymmetric theories of the weak scale are under growing pressure given present LHC constraints, raising the question of whether untuned supersymmetric (SUSY) solutions to the hierarchy problem are possible. In this paper, we explore a class of 5-dimensional natural SUSY theories in which SUSY is broken by the Scherk-Schwarz mechanism. We pedagogically explain how Scherk-Schwarz elegantly solves the traditional problems of 4-dimensional SUSY theories (based on the MSSM and its many variants) that usually result in an unsettling level of fine-tuning. The minimal Scherk-Schwarz set up possesses novel phenomenology, which we briefly outline. We show that achieving the observed physical Higgs mass motivates extra structure that does not significantly affect the level of tuning (always better than similar to 10%) and we explore three qualitatively different extensions: the addition of extra matter that couples to the Higgs, an extra U(1)' gauge group under which the Higgs is charged and an NMSSM-like solution to the Higgs mass problem. C1 [Garcia, Isabel Garcia; March-Russell, John] Univ Oxford, Rudolf Peierls Ctr Theoret Phys, Oxford OX1 3NP, England. [Howe, Kiel] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Howe, Kiel; March-Russell, John] Stanford Univ, Dept Phys, Stanford Inst Theoret Phys, Stanford, CA 94305 USA. RP Garcia, IG (reprint author), Univ Oxford, Rudolf Peierls Ctr Theoret Phys, 1 Keble Rd, Oxford OX1 3NP, England. EM isabel.garciagarcia@physics.ox.ac.uk; khowe@fnal.gov; jmr@thphys.ox.ac.uk OI Garcia Garcia, Isabel/0000-0001-8866-7376; Howe, Kiel/0000-0001-5044-6041 FU STFC/EPSRC; University of Oxford; NSF [PHY-1316706, DGE-0645962]; United States Department of Energy [DE-AC02-07CH11359] FX We thank M. Baryakhtar, J. Huang, J. Scoville, T. Cohen, D. Pinner and, especially, Savas Dimopoulos for discussions. The authors thank the CERN Theory Group and (IGG and JMR) the Stanford Institute for Theoretical Physics for hospitality during portions of this work. IGG is financially supported by the STFC/EPSRC and a Scatcherd European Scholarship from the University of Oxford. KH acknowledges support from NSF grant PHY-1316706 and an NSF Graduate Research Fellowship under Grant number DGE-0645962. Fermilab is operated by Fermi Research Alliance, LLC under Contract No. DE-AC02-07CH11359 with the United States Department of Energy. NR 130 TC 6 Z9 6 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 DEC 1 PY 2015 IS 12 AR 005 DI 10.1007/JHEP12(2015)005 PG 47 WC Physics, Particles & Fields SC Physics GA CY5YQ UT WOS:000366484200001 ER PT J AU Cushman, JH O'Malley, D AF Cushman, John H. O'Malley, Dan TI Fickian dispersion is anomalous SO JOURNAL OF HYDROLOGY LA English DT Article DE Non-Fickian; Anomalous; Transport; Scaling; Renormalization ID FRACTIONAL BROWNIAN-MOTION; POROUS-MEDIA; DIFFUSION; TRANSPORT; PERSPECTIVE; DYNAMICS; AQUIFERS AB The thesis put forward here is that the occurrence of Fickian dispersion in geophysical settings is a rare event and consequently should be labeled as anomalous. What people classically call anomalous is really the norm. In a Lagrangian setting, a process with mean square displacement which is proportional to time is generally labeled as Fickian dispersion. With a number of counter examples we show why this definition is fraught with difficulty. In a related discussion, we show an infinite second moment does not necessarily imply the process is super dispersive. By employing a rigorous mathematical definition of Fickian dispersion we illustrate why it is so hard to find a Fickian process. We go on to employ a number of renormalization group approaches to classify non-Fickian dispersive behavior. Scaling laws for the probability density function for a dispersive process, the distribution for the first passage times, the mean first passage time, and the finite-size Lyapunov exponent are presented for fixed points of both deterministic and stochastic renormalization group operators. The fixed points of the renormalization group operators are p-self-similar processes. A generalized renormalization group operator is introduced whose fixed points form a set of generalized self-similar processes. Power-law clocks are introduced to examine multi-scaling behavior. Several examples of these ideas are presented and discussed. (C) 2015 Elsevier B.V. All rights reserved. C1 [Cushman, John H.] Purdue Univ, Dept Earth Atmospher & Planetary Sci, W Lafayette, IN 47907 USA. [Cushman, John H.] Purdue Univ, Dept Math, W Lafayette, IN 47907 USA. [O'Malley, Dan] Los Alamos Natl Lab, Computat Earth Sci, Los Alamos, NM USA. RP Cushman, JH (reprint author), Purdue Univ, Dept Earth Atmospher & Planetary Sci, W Lafayette, IN 47907 USA. EM jcushman@purdue.edu; omalled@lanl.gov OI O'Malley, Daniel/0000-0003-0432-3088 FU NSF [EAR1314828] FX JHC acknowledges NSF for support through contract #EAR1314828. NR 25 TC 6 Z9 6 U1 1 U2 10 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-1694 EI 1879-2707 J9 J HYDROL JI J. Hydrol. PD DEC PY 2015 VL 531 SI SI BP 161 EP 167 DI 10.1016/j.jhydrol.2015.06.036 PN 1 PG 7 WC Engineering, Civil; Geosciences, Multidisciplinary; Water Resources SC Engineering; Geology; Water Resources GA CZ0BD UT WOS:000366769200015 ER PT J AU Campos, E Wang, JL AF Campos, Edwin Wang, Jiali TI Numerical simulation and analysis of the April 2013 Chicago Floods SO JOURNAL OF HYDROLOGY LA English DT Article DE Chicago; Floods; Atmospheric rivers; WRF; Radar ID EXTREME PRECIPITATION EVENTS; FORECASTING WRF MODEL; CLOUD MICROPHYSICS; ATMOSPHERIC RIVERS; UNITED-STATES; CONVECTIVE PARAMETERIZATION; EXPLICIT FORECASTS; WEATHER RESEARCH; HEAVY RAINFALL; NORTH-AMERICA AB The weather event associated to record Chicago floods on April 2013 is investigated by using the Weather Research and Forecasting (WRF) model. Observations at Argonne National Laboratory and multi-sensor (weather radar and rain gauge) precipitation data from the National Weather Service were employed to evaluate the model's performance. The WRF model captured the synoptic-scale atmospheric features well, but the simulated 24-h accumulated precipitation and short-period temporal evolution of precipitation over the heavy-rain region were less successful. To investigate the potential reasons for the model bias, four supplementary sensitivity experiments using various microphysics schemes and cumulus parameterizations were designed. Of the five tested parameterizations, the WRF Single-Moment 6-class (WSM6) graupel scheme and Kain-Fritsch (KF) cumulus parameterization outperformed the others, such as Grell-Devenyi (GD) cumulus parameterization, which underestimated the precipitation by 30-50% on a regional-average scale. Morrison microphysics and KF outperformed the others for the spatial patterns of 24-h accumulated precipitation. The spatial correlation between observation and Morrison-KF was 0.45, higher than those for other simulations. All of the simulations underestimated the precipitation over northeastern Illinois (especially at Argonne) during 0400-0800 UTC 18 April because of weak ascending motion or small moisture. All of the simulations except WSM6-GD also underestimated the precipitation during 1200-1600 UTC 18 April because of weak southerly flow. (C) 2015 UChicago Argonne, LLC, Operator of Argonne National Laboratory. Published by Elsevier B.V. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/). C1 [Campos, Edwin; Wang, Jiali] Argonne Natl Lab, Argonne, IL 60439 USA. RP Campos, E (reprint author), Argonne Natl Lab, GSS EESA, 9700 South Cass Ave,Bldg 221, Argonne, IL 60439 USA. EM ecampos@anl.gov FU U.S. Department of Energy (DOE) [DE-AC02-06CH11357]; Argonne, a U.S. Department of Energy Office of Science laboratory [DE-AC02-06CH11357] FX This work was supported under U.S. Department of Energy (DOE) Contract DE-AC02-06CH11357. The numerical simulations were performed on the DOE-supported supercomputing clusters of the National Energy Research Scientific Computing Center and the Argonne Leadership Computing Facility. The authors thank Dr. Jonathan Helmus of Argonne National Laboratory for providing Fig. 2.; The submitted manuscript has been created by UChicago Argonne, LLC, Operator of Argonne National Laboratory ("Argonne"). Argonne, a U.S. Department of Energy Office of Science laboratory, is operated under Contract No. DE-AC02-06CH11357. The U.S. Government retains for itself, and others acting on its behalf, a paid-up nonexclusive, irrevocable worldwide license in said article to reproduce, prepare derivative works, distribute copies to the public, and perform publicly and display publicly, by or on behalf of the Government. NR 51 TC 0 Z9 0 U1 3 U2 11 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-1694 EI 1879-2707 J9 J HYDROL JI J. Hydrol. PD DEC PY 2015 VL 531 SI SI BP 454 EP 474 DI 10.1016/j.jhydrol.2015.09.004 PN 2 PG 21 WC Engineering, Civil; Geosciences, Multidisciplinary; Water Resources SC Engineering; Geology; Water Resources GA CZ0BF UT WOS:000366769400018 ER PT J AU Buja, F Kokorian, J Gulotty, R Sumant, AV van Spengen, WM AF Buja, Federico Kokorian, Jaap Gulotty, Richard Sumant, Anirudha V. van Spengen, W. Merlijn TI Observation of a carbon-based protective layer on the sidewalls of boron doped ultrananocrystalline diamond-based MEMS during in situ tribotests SO JOURNAL OF MICROMECHANICS AND MICROENGINEERING LA English DT Article DE MEMS; tribology; ultrananocrystalline; diamond; friction; wear ID FRICTION; NANOSCALE; WEAR; LUBRICATION; TRIBOLOGY; DEVICES; FILMS AB We have fabricated dedicated MEMS tribotesters made from boron doped ultrananocrystalline diamond (B-UNCD) as the structural material, and carried out comprehensive nano-tribological measurements when two B-UNCD sidewall surfaces underwent sliding interaction in a micro-electromechanical systems (MEMS) in a humid and dry atmosphere. We have investigated the evolution of tribological contacts during sliding interactions and corresponding surface modification under repeated cyclic sliding conditions, while measuring displacement and lateral force with 4 nm and 64 nN resolution, respectively. We have observed the formation of carbon-based ultra-thin protective layer at the sliding interface as characterized by Raman spectroscopy and scanning electron microscopy. Interestingly, the formation of this protective layer occurs in both a dry and wet atmosphere, albeit at different rates when the energy dissipated due to friction reaches a plateau, starting from 200 000 and 400 000 cycles, respectively. Once this layer is formed, we do not observe any measurable wear indicating stable operation for an extended time period. Our results demonstrate that B-UNCD is a very promising material to overcome the wear-related reliability problems in MEMS. C1 [Buja, Federico; Kokorian, Jaap; van Spengen, W. Merlijn] Delft Univ Technol, Delft, Netherlands. [Gulotty, Richard; Sumant, Anirudha V.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [van Spengen, W. Merlijn] Falco Syst, Amsterdam, Netherlands. RP Buja, F (reprint author), Delft Univ Technol, Delft, Netherlands. EM f.buja@tudelft.nl FU Dutch funding agency NWO-STW in 'vidi' program [10771]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX This work was sponsored by the Dutch funding agency NWO-STW in the 'vidi' program under ref no. 10771.; 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 34 TC 0 Z9 0 U1 3 U2 12 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0960-1317 EI 1361-6439 J9 J MICROMECH MICROENG JI J. Micromech. Microeng. PD DEC PY 2015 VL 25 IS 12 AR 125020 DI 10.1088/0960-1317/25/12/125020 PG 15 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Instruments & Instrumentation; Physics, Applied SC Engineering; Science & Technology - Other Topics; Instruments & Instrumentation; Physics GA CZ1LX UT WOS:000366868400023 ER PT J AU Xiao, J Ye, ZL Wang, Y Zhu, HY Wang, Y Zhang, X AF Xiao, Jun Ye, Ziliang Wang, Ying Zhu, Hanyu Wang, Yuan Zhang, Xiang TI Nonlinear optical selection rule based on valley-exciton locking in monolayer ws(2) SO LIGHT-SCIENCE & APPLICATIONS LA English DT Article DE nonlinear optical selection rule; 2D materials; 2p-1s exciton relaxation; valley exciton ID LAYER MOS2; POLARIZATION; GENERATION; DISULFIDE; CRYSTALS; SPIN AB Optical selection rules fundamentally determine the optical transitions between energy states in a variety of physical systems, from hydrogen atoms to bulk crystals such as gallium arsenide. These rules are important for optoelectronic applications such as lasers, energy-dispersive X-ray spectroscopy, and quantum computation. Recently, single-layer transition metal dichalcogenides have been found to exhibit valleys in momentum space with nontrivial Berry curvature and excitons with large binding energy. However, there has been little study of how the unique valley degree of freedom combined with the strong excitonic effect influences the nonlinear optical excitation. Here, we report the discovery of nonlinear optical selection rules in monolayer WS2, an important candidate for visible 2D optoelectronics because of its high quantum yield and large direct bandgap. We experimentally demonstrated this principle for second-harmonic generation and two-photon luminescence (TPL). Moreover, the circularly polarized TPL and the study of its dynamics evince a sub-ps interexciton relaxation (2p -> 1s). The discovery of this new optical selection rule in a valleytronic 2D system not only considerably enhances knowledge in this area but also establishes a foundation for the control of optical transitions that will be crucial for valley optoelectronic device applications such as 2D valley-polarized THz sources with 2p-1s transitions, optical switches, and coherent control for quantum computing. C1 [Xiao, Jun; Ye, Ziliang; Wang, Ying; Zhu, Hanyu; Wang, Yuan; Zhang, Xiang] Univ Calif Berkeley, NSF Nanoscale Sci & Engn Ctr NSEC, Berkeley, CA 94720 USA. [Wang, Yuan; Zhang, Xiang] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Zhang, Xiang] King Abdulaziz Univ, Dept Phys, Jeddah 21413, Saudi Arabia. RP Zhang, X (reprint author), Univ Calif Berkeley, NSF Nanoscale Sci & Engn Ctr NSEC, Berkeley, CA 94720 USA. EM xiang@berkeley.edu RI Zhang, Xiang/F-6905-2011; Wang, Yuan/F-7211-2011 FU "Light-Material Interactions in Energy Conversion" Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-05CH11231] FX This work was supported by the "Light-Material Interactions in Energy Conversion" Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award Number DE-AC02-05CH11231. NR 34 TC 4 Z9 4 U1 8 U2 40 PU CHINESE ACAD SCIENCES, CHANGCHUN INST OPTICS FINE MECHANICS AND PHYSICS PI CHANGCHUN PA 3888, DONGNANHU ROAD, CHANGCHUN, 130033, PEOPLES R CHINA SN 2047-7538 J9 LIGHT-SCI APPL JI Light-Sci. Appl. PD DEC PY 2015 VL 4 AR e366 DI 10.1038/lsa.2015.139 PG 6 WC Optics SC Optics GA CY9KQ UT WOS:000366726200004 ER PT J AU Sinclair, CW Martin, G Lebensohn, RA AF Sinclair, C. W. Martin, G. Lebensohn, R. A. TI Factors contributing to plastic strain amplification in slip dominated deformation of magnesium alloys SO MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING LA English DT Article DE plasticity; crystal plasticity; modelling; magnesium; heterogeneity ID COMMERCIAL PURITY TITANIUM; RARE-EARTH; GRAIN-BOUNDARIES; COLUMNAR ICE; MG ALLOYS; HETEROGENEITIES; POLYCRYSTALS; DUCTILITY; BEHAVIOR; TEXTURE AB While plastic strains are never distributed uniformly in polycrystals, it has recently been shown experimentally that the distribution can be extremely heterogeneous in magnesium polycrystals even when the deformation is dominated by slip. Here, we attempt to provide insight into the (macroscopic) factors that contribute to this strain amplification and to explain, from a local perspective, the origins of this strain amplification. To do this, full field VPFFT crystal plasticity simulations have been performed under the simplifying assumption that twinning is inoperative. It is shown that the experimentally observed heterogeneity can be reproduced when a sufficiently high anisotropy in slip system strength is assumed. This can be further accentuated by a weakening of the texture. C1 [Sinclair, C. W.] Univ British Columbia, Dept Mat Engn, Vancouver, BC V5Z 1M9, Canada. [Martin, G.] Univ Grenoble Alpes, SIMAP, F-38000 Grenoble, France. [Martin, G.] CNRS, SIMAP, F-38000 Grenoble, France. [Lebensohn, R. A.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87544 USA. RP Sinclair, CW (reprint author), Univ British Columbia, Dept Mat Engn, 309-6350 Stores Rd, Vancouver, BC V5Z 1M9, Canada. EM chad.sinclair@ubc.ca RI Lebensohn, Ricardo/A-2494-2008; Sinclair, Chad/O-5744-2016 OI Lebensohn, Ricardo/0000-0002-3152-9105; Sinclair, Chad/0000-0002-6465-6952 FU NSERC-Canada through the MagNET Strategic Research Network FX The authors wish to express their gratitude to NSERC-Canada for the financial support of this work through the MagNET Strategic Research Network. NR 28 TC 0 Z9 0 U1 1 U2 11 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 DEC PY 2015 VL 23 IS 8 AR 085002 DI 10.1088/0965-0393/23/8/085002 PG 17 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA CZ0LM UT WOS:000366796400004 ER PT J AU Zhao, H Wei, Y Qiao, RM Zhu, CH Zheng, ZY Ling, M Jia, Z Bai, Y Fu, YB Lei, JL Song, XY Battaglia, VS Yang, WL Messersmith, PB Liu, G AF Zhao, Hui Wei, Yang Qiao, Ruimin Zhu, Chenhui Zheng, Ziyan Ling, Min Jia, Zhe Bai, Ying Fu, Yanbao Lei, Jinglei Song, Xiangyun Battaglia, Vincent S. Yang, Wanli Messersmith, Phillip B. Liu, Gao TI Conductive Polymer Binder for High-Tap-Density Nanosilicon Material for Lithium-Ion Battery Negative Electrode Application SO NANO LETTERS LA English DT Article DE Conductive polymer binder; single molecule force; silicon nanoparticle; high tap density; lithium-ion battery ID PERFORMANCE SILICON ANODES; SI; DESIGN; LI AB High-tap-density silicon nanomaterials are highly desirable as anodes for lithium ion batteries, due to their small surface area and minimum first-cycle loss. However, this material poses formidable challenges to polymeric binder design. Binders adhere on to the small surface area to sustain the drastic volume changes during cycling; also the low porosities and small pore size resulting from this material are detrimental to lithium ion transport. This study introduces a new binder, poly(1-pyrenemethyl methacrylate-co-methacrylic acid) (PPyMAA), for a high-tap-density nanosilicon electrode cycled in a stable manner with a first cycle efficiency of 82%-a value that is further improved to 87% when combined with graphite material. Incorporating the MAA acid functionalities does not change the lowest unoccupied molecular orbital (LUMO) features or lower the adhesion performance of the PPy homopolymer. Our single-molecule force microscopy measurement of PPyMAA reveals similar adhesion strength between polymer binder and anode surface when compared with conventional polymer such as homopolyacrylic acid (PAA), while being electronically conductive. The combined conductivity and adhesion afforded by the MAA and pyrene copolymer results in good cycling performance for the high-tap-density Si electrode. C1 [Zhao, Hui; Zheng, Ziyan; Ling, Min; Jia, Zhe; Bai, Ying; Fu, Yanbao; Lei, Jinglei; Song, Xiangyun; Battaglia, Vincent S.; Liu, Gao] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Energy Storage & Distributed Resources Div, Energy Technol Area, Berkeley, CA 94720 USA. [Qiao, Ruimin; Zhu, Chenhui; Yang, Wanli] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Wei, Yang; Messersmith, Phillip B.] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. [Wei, Yang; Messersmith, Phillip B.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Bai, Ying] Beijing Inst Technol, Beijing Key Lab Environm Sci & Engn, Sch Mat Sci & Engn, Beijing 100081, Peoples R China. [Lei, Jinglei] Chongqing Univ, Chongqing 400044, Peoples R China. RP Liu, G (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Energy Storage & Distributed Resources Div, Energy Technol Area, Berkeley, CA 94720 USA. EM gliu@lbl.gov RI Yang, Wanli/D-7183-2011; Qiao, Ruimin/E-9023-2013 OI Yang, Wanli/0000-0003-0666-8063; FU Assistant Secretary for Energy Efficiency, Vehicle Technologies Office of the U.S. Department of Energy (U.S. DOE); Office of Science, Office of Basic Energy Sciences of the U.S. Department of Energy [DE-AC02-05 CH11231]; LDRD program at the Lawrence Berkeley National Laboratory; NIH [R37 DE014193] FX This work was funded by the Assistant Secretary for Energy Efficiency, Vehicle Technologies Office of the U.S. Department of Energy (U.S. DOE) under the Advanced Battery Materials Research (BMR) and Applied Battery Research (ABR) Programs. Soft X-ray absorption measurements and analysis are performed at the Beamline 8.0.1 of Advanced Light Source (ALS). Wide angle X-ray scattering was performed at the Beamline 7.3.3 of ALS. Nuclear magnetic resonance spectroscopy (NMR) is performed at the Molecular Foundry. TEM is performed at the National Center for Electron Microscopy. All of these projects and facilities are supported by the Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy, under Contract No. DE-AC02-05 CH11231. Ruimin Qiao is supported by the LDRD program at the Lawrence Berkeley National Laboratory. The authors acknowledge partial support from NIH grant R37 DE014193. NR 23 TC 10 Z9 10 U1 36 U2 179 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD DEC PY 2015 VL 15 IS 12 BP 7927 EP 7932 DI 10.1021/acs.nanolett.5b03003 PG 6 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CY3WC UT WOS:000366339600022 PM 26599387 ER PT J AU Leonard, F Song, ED Li, QM Swartzentruber, B Martinez, JA Wang, GT AF Leonard, Francois Song, Erdong Li, Qiming Swartzentruber, Brian Martinez, Julio A. Wang, George T. TI Simultaneous Thermoelectric and Optoelectronic Characterization of Individual Nanowires SO NANO LETTERS LA English DT Article DE Nanowires; GaN; GaN/AlGaN; photocurrent; thermoelectric; photogating ID ARRAY SOLAR-CELLS; SCANNING PHOTOCURRENT MICROSCOPY; GAN-NANOWIRES; CARBON NANOTUBES; BROAD-BAND; TRANSISTORS; SILICON; PHOTORESPONSE; PHOTODETECTOR; SPECTROSCOPY AB Semiconducting nanowires have been explored for a number of applications in optoelectronics such as photodetectors and solar cells. Currently, there is ample interest in identifying the mechanisms that lead to photoresponse in nanowires in order to improve and optimize performance. However, distinguishing among the different mechanisms, including photovoltaic, photothermoelectric, photoemission, bolometric, and photoconductive, is often difficult using purely optoelectronic measurements. In this work, we present an approach for performing combined and simultaneous thermoelectric and optoelectronic measurements on the same individual nanowire. We apply the approach to GaN/AlGaN core/shell and GaN/AlGaN/GaN core/shell/shell nanowires and demonstrate the photothermoelectric nature of the photocurrent observed at the electrical contacts at zero bias, for above- and below-bandgap illumination. Furthermore, the approach allows for the experimental determination of the temperature rise due to laser illumination, which is often obtained indirectly through modeling. We also show that under bias, both above- and below-bandgap illumination leads to a photoresponse in the channel with signatures of persistent photoconductivity due to photogating. Finally, we reveal the concomitant presence of photothermoelectric and photogating phenomena at the contacts in scanning photocurrent microscopy under bias by using their different temporal response. Our approach is applicable to a broad range of nanomaterials to elucidate their fundamental optoelectronic and thermoelectric properties. C1 [Leonard, Francois] Sandia Natl Labs, Livermore, CA 94551 USA. [Song, Erdong; Martinez, Julio A.] New Mexico State Univ, Dept Chem & Mat Engn, Las Cruces, NM 88003 USA. [Li, Qiming; Wang, George T.] Sandia Natl Labs, Albuquerque, NM 87123 USA. [Swartzentruber, Brian] Sandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA. RP Leonard, F (reprint author), Sandia Natl Labs, Livermore, CA 94551 USA. EM fleonar@sandia.gov; julmart@nmsu.edu; gtwang@sandia.gov FU U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division; New Mexico State University; U.S. Department of Energy (DOE) Office of Science [DE-AC52-06NA25396]; Sandia National Laboratories [DE-AC04-94AL85000]; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division. E.S. and J.A.M. acknowledge partial support from the New Mexico State University. 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 by Los Alamos National Laboratory (Contract DE-AC52-06NA25396) and Sandia National Laboratories (Contract DE-AC04-94AL85000). 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 47 TC 1 Z9 1 U1 15 U2 69 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD DEC PY 2015 VL 15 IS 12 BP 8129 EP 8135 DI 10.1021/acs.nanolett.5b03572 PG 7 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CY3WC UT WOS:000366339600051 PM 26529491 ER PT J AU Yan, JX Xia, J Wang, XL Liu, L Kuo, JL Tay, BK Chen, SS Zhou, W Liu, Z Shen, ZX AF Yan, Jiaxu Xia, Juan Wang, Xingli Liu, Lei Kuo, Jer-Lai Tay, Beng Kang Chen, Shoushun Zhou, Wu Liu, Zheng Shen, Ze Xiang TI Stacking-Dependent Interlayer Coupling in Trilayer Mo52 with Broken Inversion Symmetry SO NANO LETTERS LA English DT Article DE Molybdenum disulfide; stacking ultralow-frequency Raman spectroscopy; photoluminescence; first-principles calculations ID TRANSITION-METAL DICHALCOGENIDES; HEXAGONAL BORON-NITRIDE; MOLYBDENUM-DISULFIDE; INPLANE HETEROSTRUCTURES; VALLEY POLARIZATION; WANNIER FUNCTIONS; MONOLAYER MOS2; ATOMIC LAYERS; BAND-GAP; GRAPHENE AB The stacking configuration in few-layer two-dimensional (2D) materials results in different structural symmetries and layer-to-layer interactions, and hence it provides a very useful parameter for tuning their electronic properties. For example, ABA-stacking trilayer graphene remains semimetallic similar to that of monolayer, while ABC-stacking is predicted to be a tunable band gap semiconductor under an external electric field. Such stacking dependence resulting from many-body interactions has recently been the focus of intense research activities. Here we demonstrate that few-layer MoS2 samples grown by chemical vapor deposition with different stacking configurations (AA, AB for bilayer; AAB, ABB, ABA, AAA for trilayer) exhibit distinct coupling phenomena in both photoluminescence and Raman spectra. By means of ultralow-frequency (ULF) Raman spectroscopy, we demonstrate that the evolution of interlayer interaction with various stacking configurations correlates strongly with layer-breathing mode (LBM) vibrations. Our ab initio calculations reveal that the layer-dependent properties arise from both the spin orbit coupling (SOC) and interlayer coupling in different structural symmetries. Such detailed understanding provides useful guidance for future spintronics fabrication using various stacked few-layer MoS2 blocks. C1 [Yan, Jiaxu; Xia, Juan; Shen, Ze Xiang] Nanyang Technol Univ, Sch Phys & Math Sci, Div Phys & Appl Phys, Singapore 637371, Singapore. [Wang, Xingli; Tay, Beng Kang; Liu, Zheng] Nanyang Technol Univ, Sch Elect & Elect Engn, Nanoelect Ctr Excellence, NOVITAS, Singapore 639798, Singapore. [Liu, Lei] Chinese Acad Sci, Changchun Inst Opt Fine Mech & Phys, State Key Lab Luminescence & Applicat, Changchun 130033, Peoples R China. [Kuo, Jer-Lai] Acad Sinica, Inst Atom & Mol Sci, Taipei 10617, Taiwan. [Chen, Shoushun] Nanyang Technol Univ, Sch Elect & Elect Engn, Singapore 639798, Singapore. [Zhou, Wu] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Liu, Zheng] Nanyang Technol Univ, Sch Mat Sci & Engn, Singapore 639798, Singapore. [Shen, Ze Xiang] Nanyang Technol Univ, Ctr Disrupt Photon Technol, Singapore 637371, Singapore. RP Shen, ZX (reprint author), Nanyang Technol Univ, Sch Phys & Math Sci, Div Phys & Appl Phys, Singapore 637371, Singapore. EM zexiang@ntu.edu.sg RI yan, jiaxu/J-5984-2015; Zhou, Wu/D-8526-2011; Shen, Zexiang/B-6988-2011 OI Zhou, Wu/0000-0002-6803-1095; FU MOE in Singapore [MOE2012-T2-2-124, MOE2011-T3-1-005]; NTU-A*STAR Silicon Technologies Centre of Excellence [112 3510 0003]; U.S. Department of Energy, Office of Science, Basic Energy Science, Materials Sciences and Engineering Division FX This research was supported by MOE under AcRF Tier 2 (MOE2012-T2-2-124) and AcRF Tier 3 (MOE2011-T3-1-005) in Singapore. X.W. and B.K.T. would like to acknowledge the funding support from NTU-A*STAR Silicon Technologies Centre of Excellence under the program grant No. 112 3510 0003. The electron microscopy work was supported by the U.S. Department of Energy, Office of Science, Basic Energy Science, Materials Sciences and Engineering Division (W.Z.). J.Y. and J.X. acknowledge the technical support from H.L.H at WITec. NR 44 TC 7 Z9 7 U1 16 U2 78 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD DEC PY 2015 VL 15 IS 12 BP 8155 EP 8161 DI 10.1021/acs.nanolett.5b03597 PG 7 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CY3WC UT WOS:000366339600055 PM 26565932 ER PT J AU Shulenburger, L Baczewski, AD Zhu, Z Guan, J Tomanek, D AF Shulenburger, L. Baczewski, A. D. Zhu, Z. Guan, J. Tomanek, D. TI The Nature of the Inter layer Interaction in Bulk and Few-Layer Phosphorus SO NANO LETTERS LA English DT Article DE Phosphorus; phosphorene; ab initio; interlayer interaction ID QUANTUM MONTE-CARLO; DENSITY-FUNCTIONAL APPROXIMATIONS; BLACK PHOSPHORUS; NONCOVALENT INTERACTIONS; DIFFUSION; ACCURACY; ENERGY AB Sensitive dependence of the electronic structure on the number of layers in few-layer phosphorene raises a question about the true nature of the interlayer interaction in socalled "van der Waals (vdW) solids". We performed quantum Monte Carlo calculations and found that the interlayer interaction in bulk black phosphorus and related few-layer phosphorene is associated with a significant charge redistribution that is incompatible with purely dispersive forces and not captured by density functional theory calculations with different vdW corrected functionals. These findings confirm the necessity of more sophisticated treatment of nonlocal electron correlation in total energy calculations. C1 [Shulenburger, L.; Baczewski, A. D.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Zhu, Z.; Guan, J.; Tomanek, D.] Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA. RP Tomanek, D (reprint author), Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA. EM tomanek@pa.msu.edu RI Zhu, Zhen/B-1292-2013 OI Zhu, Zhen/0000-0002-2982-4607 FU Innovative and Novel Computational Impact on Theory and Experiment (INCITE) program [CPH103]; Office of Basic Energy Sciences (BES), Department of Energy (DOE); National Science Foundation [EEC-0832785]; NSF/AFOSR EFRI 2-DARE [EFMA-1433459]; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX We are grateful for useful comments and conversations with Paul Kent, Jeongnim Kim, Ann Mattsson, Jonathan Moussa, Lydia Nemec, and Gotthard Seifert. Calculations were performed on Sequoia at Lawrence Livermore National Laboratory and Mira at the Argonne Leadership Computing Facility. We thank Anouar Benali for assistance performing calculations on Mira. An award of computer time was provided by the Innovative and Novel Computational Impact on Theory and Experiment (INCITE) program with Project CPH103. A.B. and L.S. were supported through the Predictive Theory and Modeling for Materials and Chemical Science program by the Office of Basic Energy Sciences (BES), Department of Energy (DOE). Z.Z., J.G., and D.T. acknowledge partial support by the National Science Foundation Cooperative Agreement No. EEC-0832785, titled "NSEC: Center for High-Rate Nanomanufacturing". J.G. and D.T. also acknowledge partial support by the NSF/AFOSR EFRI 2-DARE Grant EFMA-1433459. 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 44 TC 42 Z9 42 U1 12 U2 70 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD DEC PY 2015 VL 15 IS 12 BP 8170 EP 8175 DI 10.1021/acs.nanolett.5b03615 PG 6 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CY3WC UT WOS:000366339600057 PM 26523860 ER PT J AU Gamalski, AD Tersoff, J Kodambaka, S Zakharov, DN Ross, FM Stach, EA AF Gamalski, A. D. Tersoff, J. Kodambaka, S. Zakharov, D. N. Ross, F. M. Stach, E. A. TI The Role of Surface Passivation in Controlling Ge Nanowire Faceting SO NANO LETTERS LA English DT Article DE Nanowire; diffusion; in situ transmission electron microscopy; surface passivation ID SILICON NANOWIRES; SI NANOWIRES; IN-SITU; GROWTH; GOLD; DIGERMANE; MIGRATION; GERMANIUM; HYDROGEN; KINETICS AB In situ transmission electron microscopy observations of nanowire morphologies indicate that during Au-catalyzed Ge nanowire growth, Ge facets can rapidly form along the nanowire sidewalls when the source gas (here, digermane) flux is decreased or the temperature is increased. This sidewall faceting is accompanied by continuous catalyst loss as Au diffuses from the droplet to the wire surface. We suggest that high digermane flux and low temperatures promote effective surface passivation of Ge nanowires with H or other digermane fragments inhibiting diffusion and attachment of Au and Ge on the sidewalls. These results illustrate the essential roles of the precursor gas and substrate temperature in maintaining nanowire sidewall passivation, necessary to ensure the growth of straight, untapered, (111)-oriented nanowires. C1 [Gamalski, A. D.; Zakharov, D. N.; Stach, E. A.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. [Tersoff, J.; Ross, F. M.] TJ Watson Res Ctr, IBM Res Div, Yorktown Hts, NY 10598 USA. [Kodambaka, S.] Univ Calif Los Angeles, Dept Mat Sci & Engn, Los Angeles, CA 90095 USA. RP Gamalski, AD (reprint author), Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. EM agamalski@bnl.gov; estach@bnl.gov RI Stach, Eric/D-8545-2011; Zakharov, Dmitri/F-4493-2014 OI Stach, Eric/0000-0002-3366-2153; FU Center for Functional Nanomaterials, which is a U.S. DOE Office of Science Facility, at Brookhaven National Laboratory [DE-SC0012704] FX Research supported at the Center for Functional Nanomaterials, which is a U.S. DOE Office of Science Facility, at Brookhaven National Laboratory under Contract No. DE-SC0012704. NR 29 TC 3 Z9 3 U1 8 U2 38 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD DEC PY 2015 VL 15 IS 12 BP 8211 EP 8216 DI 10.1021/acs.nanolett.5b03722 PG 6 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CY3WC UT WOS:000366339600063 PM 26539668 ER PT J AU Ong, GK Williams, TE Singh, A Schaible, E Helms, BA Milliron, DJ AF Ong, Gary K. Williams, Teresa E. Singh, Ajay Schaible, Eric Helms, Brett A. Milliron, Delia J. TI Ordering in Polymer Micelle-Directed Assemblies of Colloidal Nanocrystals SO NANO LETTERS LA English DT Article DE composite; block copolymer; mesoporous; X-ray scattering; self-assembly ID MESOPOROUS ARCHITECTURES; BLOCK-COPOLYMERS; NANOPARTICLES; FILMS; TITANIA; ORGANIZATION; COMPOSITES; KINETICS AB Assembly of presynthesized nanocrystals by block copolymer micelles can be rationalized by the incorporation of nanocrystals into micellar coronas of constant width. As determined by quantitative analysis using small-angle X-ray scattering, high loading of small nanocrystals yields composites exhibiting order on two length scales, whereas intermediate loading of nanocrystals larger than the coronal width produces single nanocrystal networks. The resulting structures obey expectations of thermodynamically driven assembly on the nanocrystal length scale, whereas kinetically frozen packing principles dictate order on the polymer micelle length scale. C1 [Ong, Gary K.; Singh, Ajay; Milliron, Delia J.] Univ Texas Austin, McKetta Dept Chem Engn, Austin, TX 78712 USA. [Ong, Gary K.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Williams, Teresa E.] Univ Calif Berkeley, Grad Grp Appl Sci & Technol, Berkeley, CA 94720 USA. [Williams, Teresa E.; Helms, Brett A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. [Schaible, Eric] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Milliron, DJ (reprint author), Univ Texas Austin, McKetta Dept Chem Engn, Austin, TX 78712 USA. EM milliron@che.utexas.edu RI Milliron, Delia/D-6002-2012; OI Singh, Ajay/0000-0002-5168-7522 FU Office of Science, Office of Basic Energy Sciences, of the U.S Department of Energy (DOE) [DE-AC02-05CH11231]; National Science Foundation [DGE 1106400]; Bay Area Photovoltaics Consortium - DOE EERE; Welch Foundation [F-1848] FX The authors thank Prof. Fiona Doyle, Amita Joshi, Evan Runnerstrom, Raffaella Buonsanti, Natacha Krins, and Chenhui Zhu for helpful discussions and beam-time support. Some of this research was carried out at the Molecular Foundry and at the Advanced Light Source at the Lawrence Berkeley National Laboratory, both user facilities that are supported by the Office of Science, Office of Basic Energy Sciences, of the U.S Department of Energy (DOE) under contract no. DE-AC02-05CH11231. G.K.O. was supported by a National Science Foundation Graduate Research Fellowship under grant number DGE 1106400. A.S. was supported by the Bay Area Photovoltaics Consortium, sponsored by DOE EERE. D.J.M. acknowledges support of the Welch Foundation (F-1848). NR 42 TC 4 Z9 4 U1 6 U2 26 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD DEC PY 2015 VL 15 IS 12 BP 8240 EP 8244 DI 10.1021/acs.nanolett.5b03765 PG 5 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CY3WC UT WOS:000366339600067 PM 26579565 ER PT J AU Koirala, N Brahlek, M Salehi, M Wu, L Dai, JX Waugh, J Nummy, T Han, MG Moon, J Zhu, YM Dessau, D Wu, WD Armitage, NP Oh, S AF Koirala, Nikesh Brahlek, Matthew Salehi, Maryam Wu, Liang Dai, Jixia Waugh, Justin Nummy, Thomas Han, Myung-Geun Moon, Jisoo Zhu, Yimei Dessau, Daniel Wu, Weida Armitage, N. Peter Oh, Seongshik TI Record Surface State Mobility and Quantum Hall Effect in Topological Insulator Thin Films via Interface Engineering SO NANO LETTERS LA English DT Article DE Topological insulator; molecular beam epitaxy; heterostructure; thin films; quantum Hall effect ID BI2SE3 AB Material defects remain as the main bottleneck to the progress of topological insulators (TIs). In particular, efforts to achieve thin TI samples with dominant surface transport have always led to increased defects and degraded mobilities, thus making it difficult to probe the quantum regime of the topological surface states. Here, by utilizing a novel buffer layer scheme composed of an In2Se3/(Bi0.5In0.5)(2)Se-3 heterostructure, we introduce a quantum generation of Bi2Se3 films with an order of magnitude enhanced mobilities than before. This scheme has led to the first observation of the quantum Hall effect in Bi2Se3. C1 [Koirala, Nikesh; Brahlek, Matthew; Dai, Jixia; Moon, Jisoo; Wu, Weida; Oh, Seongshik] Rutgers State Univ, Dept Phys & Astron, Piscataway, NJ 08854 USA. [Salehi, Maryam] Rutgers State Univ, Dept Mat Sci & Engn, Piscataway, NJ 08854 USA. [Wu, Liang; Armitage, N. Peter] Johns Hopkins Univ, Dept Phys & Astron, Baltimore, MD 21218 USA. [Waugh, Justin; Nummy, Thomas; Dessau, Daniel] Univ Colorado, Dept Phys, Boulder, CO 80309 USA. [Han, Myung-Geun; Zhu, Yimei] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci, Upton, NY 11973 USA. RP Oh, S (reprint author), Rutgers State Univ, Dept Phys & Astron, POB 849, Piscataway, NJ 08854 USA. EM ohsean@physics.rutgers.edu RI Wu, Liang/C-8715-2015 OI Wu, Liang/0000-0003-1696-7809 FU ONR [N000141210456]; NSF [DMR-1308142, DMR-0844807, DMR-1506618, DMR-1157490]; GBMF's EPiQS Initiative [GBMF4418]; GBMF [GBMF2628]; DOE [DE-FG0203ER46066, DE-AC02-98CH10886] FX Office of Naval Research (ONR), National Science Foundation (NSF), Gordon and Betty Moore Foundation (GBMF), U.S. Department of Energy (DOE), State of Florida. Thin film growth and transport measurement work (N. Koirala, M. Brahlek, M. Salehi, J. Moon, S. Oh) was supported by ONR (N000141210456), NSF (DMR-1308142) and GBMF's EPiQS Initiative (GBMF4418). TDMTS work (L.W, N.P.A.) is further supported by GBMF (GBMF2628). STM work (J.D., W.W.) is supported by NSF (DMR-0844807 and DMR-1506618). ARPES work (J.W., T.N., D.D.) is supported by DOE (DE-FG0203ER46066). HAADF-STEM work (M.-G.H., Y.Z.) is supported by DOE (DE-AC02-98CH10886). QHE measurement (National High Magnetic Field Laboratory) is supported by NSF (DMR-1157490) and the State of Florida. The authors declare no competing financial interest. NR 30 TC 14 Z9 14 U1 17 U2 53 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD DEC PY 2015 VL 15 IS 12 BP 8245 EP 8249 DI 10.1021/acs.nanolett.5b03770 PG 5 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CY3WC UT WOS:000366339600068 PM 26583739 ER PT J AU Ferry, VE Hentschel, M Alivisatos, AP AF Ferry, Vivian E. Hentschel, Mario Alivisatos, A. Paul TI Circular Dichroism in Off-Resonantly Coupled Plasmonic Nanosystems SO NANO LETTERS LA English DT Article DE surface plasmons; circular dichroism; chirality; plasmon hybridization ID PHOTONIC METAMATERIAL; OPTICAL-ACTIVITY; CHIRALITY; DNA; NANOSTRUCTURES; METAMOLECULES; NANOPARTICLES AB Chiral plasmonic systems have been shown to exhibit large chiroptical responses, much larger than those found in molecular or solid state systems. In this Letter, we investigate the role of resonant coupling in such systems and whether the formation of collective plasmonic modes in a chiral assembly of metallic nanostructures is a necessary condition for chiroptical response. We show in experiment and simulation that off-resonant coupling between spectrally detuned nanostructures arranged with structural chirality leads to a clear but weak chiroptical response. We interpret our results in the framework of scattering between the individual constituents that in turn leads to a chiroptical farfield response. We envision that our results will allow further tuning and manipulation of chiroptical responses in plasmonic systems for tailored chiral light matter interaction. C1 [Ferry, Vivian E.] Univ Minnesota Twin Cities, Dept Chem Engn & Mat Sci, Minneapolis, MN 55455 USA. [Hentschel, Mario; Alivisatos, A. Paul] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Alivisatos, A. Paul] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Alivisatos, A. Paul] Univ Calif Berkeley, Dept Mat Sci, Berkeley, CA 94720 USA. [Alivisatos, A. Paul] Univ Calif Berkeley, Kavli Energy Nano Sci Inst, Berkeley, CA 94720 USA. RP Alivisatos, AP (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM alivis@berkeley.edu FU Alexander von Humboldt Foundation through Feodor Lynen scholarship; National Science Foundation [DMR-1344290] FX M.H. gratefully acknowledges financial support by the Alexander von Humboldt Foundation through a Feodor Lynen scholarship. This material is based upon work supported by the National Science Foundation under Grant DMR-1344290. The authors acknowledge the Marvell Nano-fabrication Laboratory for the use of their facilities and the group of Xiang Zhang for the use of their FTIR spectrometer. NR 28 TC 5 Z9 5 U1 19 U2 68 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD DEC PY 2015 VL 15 IS 12 BP 8336 EP 8341 DI 10.1021/acs.nanolett.5b03970 PG 6 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CY3WC UT WOS:000366339600084 PM 26569468 ER PT J AU Berkery, JW Sabbagh, SA Bell, RE Gerhardt, SP LeBlanc, BP Menard, JE AF Berkery, J. W. Sabbagh, S. A. Bell, R. E. Gerhardt, S. P. LeBlanc, B. P. Menard, J. E. TI Modifications to ideal stability by kinetic effects in NSTX SO NUCLEAR FUSION LA English DT Article DE plasma stability; ideal stability; no-wall limit; resistive wall mode; kinetic effects ID TIME EQUILIBRIUM RECONSTRUCTION; SPHERICAL TORUS EXPERIMENT; RESISTIVE WALL MODE; MHD STABILITY; TOKAMAK PLASMAS; CURRENT PROFILE; LIMITS; STABILIZATION; INSTABILITIES; CONFINEMENT AB Marginal stability points of global modes during high plasma pressure operation in the National Spherical Torus Experiment (NSTX) device can be found by computing kinetic modifications to ideal magnetohydrodynamic limits on stability. Calculations with the DCON code for nearly five thousand experimental equilibria show that previous estimates of the no-wall limit (below which the ideal kink/ballooning mode would be stable even without conducting structure surrounding the plasma) on the plasma beta (a ratio of plasma pressure to magnetic pressure) and internal inductance (a measure of the current profile peakedness) were relatively accurate, though about 10% low. The no-wall beta limit also decreased with increasing aspect ratio and increasing broadness of the pressure profile, and these dependencies have implications for the upgrade to NSTX which has a larger aspect ratio and new neutral beams that may increase the broadness of pressure and current profiles. Kinetic modifications to ideal limits calculated with the Modifications to Ideal Stability by Kinetic effects (MISK) code are further validated by detailed comparison with experimental results from NSTX. In several discharges the code predicts a transition from damping of the mode to growth as the time approaches the experimental time of marginal stability to the resistive wall mode (RWM). The main stabilization mechanism is through rotational resonances with the motions of thermal particles in the plasma, though energetic particles also contribute to stability, and it is often when the plasma rotation falls in between these resonances that the RWM was destabilized in NSTX. The calculations are found to be slightly affected by changing the assumed magnetic structure of the mode as well. These validations are important for real-time assessment of stability limits for disruption avoidance, and reliable projections of the stability of future devices. C1 [Berkery, J. W.; Sabbagh, S. A.] Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA. [Bell, R. E.; Gerhardt, S. P.; LeBlanc, B. P.; Menard, J. E.] Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08544 USA. RP Berkery, JW (reprint author), Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA. EM jberkery@pppl.gov OI Menard, Jonathan/0000-0003-1292-3286 FU US Department of Energy [DE-FG02-99ER54524, DE-AC02-09CH11466] FX The authors would like to thank S Kaye for his careful reading and editing of the manuscript. This research was supported by the US Department of Energy under contracts: DE-FG02-99ER54524 (Columbia University) and DE-AC02-09CH11466 (Princeton Plasma Physics Laboratory). NR 59 TC 1 Z9 1 U1 6 U2 11 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0029-5515 EI 1741-4326 J9 NUCL FUSION JI Nucl. Fusion PD DEC PY 2015 VL 55 IS 12 AR 123007 DI 10.1088/0029-5515/55/12/123007 PG 10 WC Physics, Fluids & Plasmas SC Physics GA CY6QS UT WOS:000366534500009 ER PT J AU Deng, CB Brower, DL Anderson, DT Anderson, FSB Briesemeister, A Likin, KM AF Deng, C. B. Brower, D. L. Anderson, D. T. Anderson, F. S. B. Briesemeister, A. Likin, K. M. TI Core density turbulence in the HSX Stellarator SO NUCLEAR FUSION LA English DT Article DE stellarator; turbulence; transport ID TEMPERATURE-GRADIENT TURBULENCE; SIMULATION AB Broadband turbulent density fluctuations are explored in the helically symmetric stellarator experiment (HSX) by investigating changes related to plasma heating power and location. No fluctuation response is observed to occur with large changes in electron temperature and its gradient, thereby eliminating temperature gradient as a driving mechanism. Instead, measurements reveal that density turbulence varies inversely with electron density scale length. This response is consistent with density gradient drive as one might expect for trapped electron mode (TEM) turbulence. In general, the plasma stored energy and particle confinement are higher for discharges with reduced fluctuations in the plasma core. When the density fluctuation amplitude is reduced, increased plasma rotation is also evident suggesting a role is being played by intrinsic plasma flow. C1 [Deng, C. B.; Brower, D. L.] Univ Calif Los Angeles, Dept Phys & Astron, Los Angeles, CA 90095 USA. [Anderson, D. T.; Anderson, F. S. B.; Likin, K. M.] Univ Wisconsin, Dept Elect & Comp Engn, Madison, WI 53706 USA. [Briesemeister, A.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Deng, CB (reprint author), Univ Calif Los Angeles, Dept Phys & Astron, Los Angeles, CA 90095 USA. EM brower@physics.uda.edu FU U.S. Department of Energy Office of Science, Office of Fusion Energy Sciences program [DE-FG02-01ER-54615, DE-FG02-93ER54222]; HSX group FX The authors would like to thank the entire HSX group for their contributions to and support of these investigations and Dr. W. X. Ding for helpful discussions. This material is based upon work supported by the U.S. Department of Energy Office of Science, Office of Fusion Energy Sciences program under Award Numbers DE-FG02-01ER-54615 and DE-FG02-93ER54222. NR 24 TC 0 Z9 0 U1 0 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0029-5515 EI 1741-4326 J9 NUCL FUSION JI Nucl. Fusion PD DEC PY 2015 VL 55 IS 12 AR 123003 DI 10.1088/0029-5515/55/12/123003 PG 8 WC Physics, Fluids & Plasmas SC Physics GA CY6QS UT WOS:000366534500005 ER PT J AU Garofalo, AM Gong, X Grierson, BA Ren, Q Solomon, WM Strait, EJ Van Zeeland, MA Holcomb, CT Meneghini, O Smith, SP Staebler, GM Wan, B Bravenec, R Budny, RV Ding, S Hanson, JM Heidbrink, WW Lao, LL Li, G Pan, C Petty, CC Qian, J Paz-Soldan, C Xu, G AF Garofalo, A. M. Gong, X. Grierson, B. A. Ren, Q. Solomon, W. M. Strait, E. J. Van Zeeland, M. A. Holcomb, C. T. Meneghini, O. Smith, S. P. Staebler, G. M. Wan, B. Bravenec, R. Budny, R. V. Ding, S. Hanson, J. M. Heidbrink, W. W. Lao, L. L. Li, G. Pan, C. Petty, C. C. Qian, J. Paz-Soldan, C. Xu, G. TI Compatibility of internal transport barrier with steady-state operation in the high bootstrap fraction regime on DIII-D SO NUCLEAR FUSION LA English DT Article DE steady state; ion transport barrier; wall stabilization; high beta ID HIGH CONFINEMENT; CURRENT PROFILE; SHEAR PLASMAS; JT-60U; TOKAMAK; STATIONARY; DISCHARGES; DRIVEN; MODES; JET AB Recent EAST/DIII-D joint experiments on the high poloidal beta tokamak regime in DIII-D have demonstrated fully noninductive operation with an internal transport barrier (ITB) at large minor radius, at normalized fusion performance increased by. 30% relative to earlier work (Politzer et al 2005 Nucl. Fusion 45 417). The advancement was enabled by improved understanding of the 'relaxation oscillations', previously attributed to repetitive ITB collapses, and of the fast ion behavior in this regime. It was found that the 'relaxation oscillations' are coupled core-edge modes amenable to wall-stabilization, and that fast ion losses which previously dictated a large plasma-wall separation to avoid wall over-heating, can be reduced to classical levels with sufficient plasma density. By using optimized waveforms of the plasma-wall separation and plasma density, fully noninductive plasmas have been sustained for long durations with excellent energy confinement quality, bootstrap fraction >= 80%, beta(N) <= 4, beta(P) >= 3, and beta(T) >= 2%. These results bolster the applicability of the high poloidal beta tokamak regime toward the realization of a steady-state fusion reactor. C1 [Garofalo, A. M.; Strait, E. J.; Van Zeeland, M. A.; Meneghini, O.; Smith, S. P.; Staebler, G. M.; Lao, L. L.; Petty, C. C.; Paz-Soldan, C.] Gen Atom Co, San Diego, CA 92186 USA. [Gong, X.; Ren, Q.; Wan, B.; Ding, S.; Li, G.; Pan, C.; Qian, J.; Xu, G.] Chinese Acad Sci, Inst Plasma Phys, Hefei 230031, Anhui, Peoples R China. [Grierson, B. A.; Solomon, W. M.; Budny, R. V.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Holcomb, C. T.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Bravenec, R.] Fourth State Res, Austin, TX 78704 USA. [Hanson, J. M.] Columbia Univ, New York, NY 10027 USA. [Heidbrink, W. W.] Univ Calif Irvine, Irvine, CA 92697 USA. RP Garofalo, AM (reprint author), Gen Atom Co, POB 85608, San Diego, CA 92186 USA. EM garofalo@fusion.gat.com OI Solomon, Wayne/0000-0002-0902-9876 FU U.S. Department of Energy, Office of Science, Office of Fusion Energy Sciences; DOE Office of Science [DE-FC02-04ER54698, DE-AC02-09CH11466, DE-AC52-07NA27344, DE-FG02-04ER54761, SC-G903402]; National Magnetic Confinement Fusion Science Program of China [2015GB102000, 2015GB110001] FX This material is based upon work supported in part by the U.S. Department of Energy, Office of Science, Office of Fusion Energy Sciences, using the DIII-D National Fusion Facility, a DOE Office of Science user facility, under Awards DE-FC02-04ER54698, DE-AC02-09CH11466, DE-AC52-07NA27344, DE-FG02-04ER54761, and SC-G903402 and in part by the National Magnetic Confinement Fusion Science Program of China under contracts 2015GB102000 and 2015GB110001. DIII-D data shown in this paper can be obtained in digital format by following the links at https://fusion.gat.com/global/D3D_DMP. NR 35 TC 7 Z9 7 U1 4 U2 20 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0029-5515 EI 1741-4326 J9 NUCL FUSION JI Nucl. Fusion PD DEC PY 2015 VL 55 IS 12 AR 123025 DI 10.1088/0029-5515/55/12/123025 PG 11 WC Physics, Fluids & Plasmas SC Physics GA CY6QS UT WOS:000366534500027 ER PT J AU Pedersen, TS Andreeva, T Bosch, HS Bozhenkov, S Effenberg, F Endler, M Feng, Y Gates, DA Geiger, J Hartmann, D Holbe, H Jakubowski, M Konig, R Laqua, HP Lazerson, S Otte, M Preynas, M Schmitz, O Stange, T Turkin, Y AF Pedersen, T. Sunn Andreeva, T. Bosch, H. -S. Bozhenkov, S. Effenberg, F. Endler, M. Feng, Y. Gates, D. A. Geiger, J. Hartmann, D. Hoelbe, H. Jakubowski, M. Koenig, R. Laqua, H. P. Lazerson, S. Otte, M. Preynas, M. Schmitz, O. Stange, T. Turkin, Y. CA W7-X Team TI Plans for the first plasma operation of Wendelstein 7-X SO NUCLEAR FUSION LA English DT Article DE stellarator; Wendelstein 7-X; limiter; operation; planning ID ENGINEERING DESIGN; STELLARATOR; PHYSICS; W7-AS; DIAGNOSTICS; TRANSPORT; FIELD; COILS AB Wendelstein 7-X (W7-X) is currently under commissioning in preparation for its initial plasma operation phase, operation phase 1.1 (OP1.1). This first phase serves primarily to provide an integral commissioning of all major systems needed for plasma operation, as well as systems, such as diagnostics, that need plasma operation to verify their foreseen functions. In OP1.1, W7-X will have a reduced set of in-vessel components. In particular, five graphite limiter stripes replace the later foreseen divertor. This paper describes the expected machine capabilities in OP1.1, as well as a selection of physics topics that can be addressed in OP1.1, despite the simplified configuration and the reduced machine capabilities. Physics topics include the verification and adjustment of the magnetic topology, the testing of the foreseen plasma start-up scenarios and the feed-forward control of plasma density and temperature evolution, as well as more advanced topics such as scrape-off layer (SOL) studies at short connection lengths and transport studies. Plasma operation in OP1.1 will primarily be performed in helium, with a hydrogen plasma phase at the end. C1 [Pedersen, T. Sunn; Andreeva, T.; Bosch, H. -S.; Bozhenkov, S.; Endler, M.; Feng, Y.; Geiger, J.; Hartmann, D.; Hoelbe, H.; Jakubowski, M.; Koenig, R.; Laqua, H. P.; Otte, M.; Stange, T.; Turkin, Y.; W7-X Team] Max Planck Inst Plasma Phys, D-17491 Greifswald, Germany. [Effenberg, F.; Schmitz, O.] Univ Wisconsin, Madison, WI 53706 USA. [Gates, D. A.; Lazerson, S.] Princeton Plasma Phys Lab, Princeton, NJ 08540 USA. [Preynas, M.] Ecole Polytech Fed Lausanne, CH-1015 Lausanne, Switzerland. RP Pedersen, TS (reprint author), Max Planck Inst Plasma Phys, D-17491 Greifswald, Germany. EM thomas.sunn.pedersen@ipp.mpg.de RI Lazerson, Samuel/E-4816-2014 OI Lazerson, Samuel/0000-0001-8002-0121 FU Euratom research and training programme [633053] FX We thank C Beidler, A Dinklage, P Helander and H Maassberg for their useful feedback on this paper. This work was carried out within the framework of the EUROfusion Consortium and received funding from the Euratom research and training programme 2014-2018 under grant agreement no. 633053. The views and opinions expressed herein do not necessarily reflect those of the European Commission. NR 45 TC 13 Z9 13 U1 4 U2 32 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0029-5515 EI 1741-4326 J9 NUCL FUSION JI Nucl. Fusion PD DEC PY 2015 VL 55 IS 12 AR 126001 DI 10.1088/0029-5515/55/12/126001 PG 13 WC Physics, Fluids & Plasmas SC Physics GA CY6QS UT WOS:000366534500032 ER PT J AU Poli, FM Andre, RG Bertelli, N Gerhardt, SP Mueller, D Taylor, G AF Poli, F. M. Andre, R. G. Bertelli, N. Gerhardt, S. P. Mueller, D. Taylor, G. TI Simulations towards the achievement of non-inductive current ramp-up and sustainment in the National Spherical Torus Experiment Upgrade SO NUCLEAR FUSION LA English DT Article DE ramp-up; non-inductive; magnetic fusion; neutral beams; radio frequency waves ID CURRENT DRIVE; ASPECT-RATIO; TOKAMAK; TRANSPORT; PLASMAS; INJECTION; GEOMETRY; FACILITY; PHYSICS; DESIGN AB One of the goals of the National Spherical Torus Experiment Upgrade (NSTX-U) (Menard et al 2012 Nucl. Fusion 52 083015) is the demonstration of fully non-inductive start-up, current ramp-up and sustainment. This work discusses predictive simulations where the available heating and current drive systems are combined to maximize the non-inductive current and minimize the solenoidal contribution. Radio-frequency waves at harmonics higher than the ion cyclotron resonance (high-harmonic fast waves (HHFW)) and neutral beam injection are used to ramp the plasma current non-inductively starting from an initial Ohmic plasma. An interesting synergy is observed in the simulations between the HHFW and electron cyclotron (EC) wave heating. Time-dependent simulations indicate that, depending on the phasing of the HHFW antenna, EC wave heating can significantly increase the effectiveness of the radio-frequency power, by heating the electrons and increasing the current drive efficiency, thus relaxing the requirements on the level of HHFW power that needs to be absorbed in the core plasma to drive the same amount of fast-wave current. C1 [Poli, F. M.; Andre, R. G.; Bertelli, N.; Gerhardt, S. P.; Mueller, D.; Taylor, G.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Poli, FM (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. EM fpoli@pppl.gov FU U.S. Department of Energy [DE-AC02-CH0911466] FX M. Podesta is kindly acknowledged for valuable discussion, S.M. Kaye and J.R. Wilson for carefully reading the manuscript. This work was supported by the U.S. Department of Energy under contract DE-AC02-CH0911466. The digital data for this paper can be found in http://arks.princeton.edu/ark:/88435/dsp011v53k0334 NR 54 TC 0 Z9 0 U1 2 U2 8 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0029-5515 EI 1741-4326 J9 NUCL FUSION JI Nucl. Fusion PD DEC PY 2015 VL 55 IS 12 AR 123011 DI 10.1088/0029-5515/55/12/123011 PG 12 WC Physics, Fluids & Plasmas SC Physics GA CY6QS UT WOS:000366534500013 ER PT J AU Wang, WX Ethier, S Ren, Y Kaye, S Chen, J Startsev, E Lu, Z AF Wang, W. X. Ethier, S. Ren, Y. Kaye, S. Chen, J. Startsev, E. Lu, Z. TI Distinct turbulence sources and confinement features in the spherical tokamak plasma regime SO NUCLEAR FUSION LA English DT Article DE plasma turbulence; transport; confinement; spherical tokamak; drift wave instability ID SHEARED FLOWS AB New turbulence contributions to plasma transport and confinement in the spherical tokamak (ST) regime are identified through nonlinear gyrokinetic simulations. The drift wave Kelvin-Helmholtz (KH) mode characterized by intrinsic mode asymmetry is shown to drive significant ion thermal transport in strongly rotating national spherical torus experiment (NSTX) L-modes. The long wavelength, quasi-coherent dissipative trapped electron mode (TEM) is destabilized in NSTX H-modes despite the presence of strong ExB shear, providing a robust turbulence source dominant over collisionless TEM. Dissipative trapped electron mode (DTEM)-driven transport in the NSTX parametric regime is shown to increase with electron collision frequency, offering one possible source for the confinement scaling observed in experiments. There exists a turbulence-free regime in the collision-induced collisionless trapped electron mode to DTEM transition for ST plasmas. This predicts a natural access to a minimum transport state in the low collisionality regime that future advanced STs may cover. C1 [Wang, W. X.; Ethier, S.; Ren, Y.; Kaye, S.; Chen, J.; Startsev, E.] Princeton Univ, Plasma Phys Lab, Princeton, NJ 08543 USA. [Lu, Z.] Univ Calif San Diego, La Jolla, CA 92093 USA. RP Wang, WX (reprint author), Princeton Univ, Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. EM wwang@pppl.gov FU US DOE [DE-AC02-09CH11466] FX Useful discussions with Drs T.S. Hahm, G. Rewoldt, X. Tang, W.W. Lee and G. Hammett are acknowledged. Simulations were performed on Edison at NERSC. This work was supported by US DOE Contract No. DE-AC02-09CH11466. NR 13 TC 1 Z9 1 U1 3 U2 7 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0029-5515 EI 1741-4326 J9 NUCL FUSION JI Nucl. Fusion PD DEC PY 2015 VL 55 IS 12 AR 122001 DI 10.1088/0029-5515/55/12/122001 PG 7 WC Physics, Fluids & Plasmas SC Physics GA CY6QS UT WOS:000366534500001 ER PT J AU Zhang, RB Fu, GY White, RB Wang, XG AF Zhang, R. B. Fu, G. Y. White, R. B. Wang, X. G. TI Local wave particle resonant interaction causing energetic particle prompt loss in DIII-D plasmas SO NUCLEAR FUSION LA English DT Article DE fast ion loss; tokamak; plasma ID ALFVEN EIGENMODES; SIMULATIONS; TOKAMAKS; IONS AB A new wave particle resonance mechanism is found explaining the first-orbit prompt neutral beam-ion losses induced by shear Alfven Eigenmodes (AEs) in the DIII-D tokamak. Because of the large banana width, a typical trapped beam ion can only interact locally with a core localised Alfven Eigenmode for a fraction of its orbit, i.e. part of its inner leg of the banana orbit. These trapped beam ions can experience substantial radial kick within one bounce as long as the phases of the wave seen by the particles are nearly constant during this local interaction. A wave particle resonant condition is found based on the locally averaged particle orbit frequencies over the interaction part of the particle orbit. It is further found that the frequency width of the local resonance is quite large because the interaction time is short. This implies that particles over a considerable region of phase space can interact effectively with the localised AEs and experience large radial kicks within one bounce orbit. The radial kick size is found numerically and analytically to scale linearly in AE amplitude and is about 5 cm for typical experimental parameters. These results are consistent with experimental measurement. C1 [Zhang, R. B.; Wang, X. G.] Peking Univ, Fus Simulat Ctr, State Key Lab Nucl Phys & Technol, Sch Phys, Beijing 100871, Peoples R China. [Zhang, R. B.; Fu, G. Y.; White, R. B.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Wang, X. G.] Harbin Inst Technol, Dept Phys, Harbin 150001, Peoples R China. RP Zhang, RB (reprint author), Peking Univ, Fus Simulat Ctr, State Key Lab Nucl Phys & Technol, Sch Phys, Beijing 100871, Peoples R China. EM ruibinzhang@pku.edu.cn RI White, Roscoe/D-1773-2013 OI White, Roscoe/0000-0002-4239-2685 FU Department of Energy Scientific Discovery through the U.S. Department of Energy [DE-AC02-09-CH11466]; National Natural Science Foundation of China [11261140326]; NMCSFP [2014GB107004, 2013GB111001]; CSC; China Scholarship Council (CSC) FX This work is supported by the Department of Energy Scientific Discovery through the U.S. Department of Energy under Grant No. DE-AC02-09-CH11466, the National Natural Science Foundation of China under Grant. No. 11261140326, and NMCSFP with Nos. 2014GB107004 and 2013GB111001. All the simulations were performed on the Edison super-computer at the National Energy Research Scientific Computing Center (NERSC). One of the authors Ruibin Zhang also thanks the China Scholarship Council (CSC), as the work was done during his visit to PPPL funded by CSC. NR 20 TC 4 Z9 4 U1 3 U2 9 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0029-5515 EI 1741-4326 J9 NUCL FUSION JI Nucl. Fusion PD DEC PY 2015 VL 55 IS 12 AR 122002 DI 10.1088/0029-5515/55/12/122002 PG 6 WC Physics, Fluids & Plasmas SC Physics GA CY6QS UT WOS:000366534500002 ER PT J AU Wierzchowski, W Wieteska, K Sobierajski, R Klinger, D Pelka, J Zymierska, D Paulmann, C Hau-Riege, SP London, RA Graf, A Burian, T Chalupsky, J Gaudin, J Krzywinski, J Moeller, S Messerschmidt, M Bozek, J Bostedt, C AF Wierzchowski, W. Wieteska, K. Sobierajski, R. Klinger, D. Pelka, J. Zymierska, D. Paulmann, C. Hau-Riege, S. P. London, R. A. Graf, A. Burian, T. Chalupsky, J. Gaudin, J. Krzywinski, J. Moeller, S. Messerschmidt, M. Bozek, J. Bostedt, Ch. TI Synchrotron topographic evaluation of strain around craters generated by irradiation with X-ray pulses from free electron laser with different intensities SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article DE X-ray free electron laser; Soft X-ray lasers; Irradiation with femtosecond pulses; Silicon; Synchrotron diffraction topography AB The silicon sample irradiated with femtosecond soft X-ray pulses at the Linac Coherent Light Source has been studied with several synchrotron X-ray diffraction topographic methods at HASYIAB. The irradiations were performed for two different wavelengths combined with various impact energy controlled by means of the gas attenuator. The topographic investigation revealed characteristic images of the created craters included the inner region reflecting the X-rays at lower angle, coming most probably from part of the silicon melted during the irradiation. The melted region was surrounded by strained outer region, similar to those observed in the case of rod-like inclusion but less regular in view of some irregularity of the beam used for generation of the craters. It was observed that the higher impact energy higher dose of the irradiating pulses resulted in increasing diameter of the melted area of the crater and the range of the strained region around it. Some features of the monochromatic and white beam back reflection section images of the craters were reproduced in numerically simulated images approximating the strain field in the crater by a droplet containing uniformly distributed point inclusions. (C) 2015 Published by Elsevier B.V. C1 [Wierzchowski, W.] Inst Elect Mat Technol, PL-01919 Warsaw, Poland. [Wieteska, K.] Natl Ctr Nucl Res, PL-05400 Otwock, Poland. [Sobierajski, R.; Klinger, D.; Pelka, J.; Zymierska, D.] Polish Acad Sci, Inst Phys, PL-02668 Warsaw, Poland. [Paulmann, C.] DESY HASYLAB, D-22607 Hamburg, Germany. [Hau-Riege, S. P.; London, R. A.; Graf, A.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Burian, T.; Chalupsky, J.] Acad Sci Czech Republic, Inst Phys, Prague 18221 8, Czech Republic. [Gaudin, J.] European XFEL GmbH, D-22761 Hamburg, Germany. [Krzywinski, J.; Moeller, S.; Messerschmidt, M.; Bozek, J.; Bostedt, Ch.] Natl Accelerator Lab, Menlo Pk, CA 94025 USA. RP Wierzchowski, W (reprint author), Inst Elect Mat Technol, Wolczynska 133, PL-01919 Warsaw, Poland. EM wojciech.wierzchowski@itme.edu.pl RI Messerschmidt, Marc/F-3796-2010; Sobierajski, Ryszard/E-7619-2012; Klinger, Dorota/K-8819-2016; Bozek, John/E-9260-2010; Pelka, Jerzy/S-8587-2016 OI Messerschmidt, Marc/0000-0002-8641-3302; Bozek, John/0000-0001-7486-7238; Pelka, Jerzy/0000-0002-1863-8219 FU HASYLAB [I-20110423 EC]; Polish National Science Centre [DEC-2011/03/B/ST3/02453] FX The synchrotron investigations were supported by the HASYLAB project I-20110423 EC. This work was also supported by the Polish National Science Centre (Grant no. DEC-2011/03/B/ST3/02453) NR 10 TC 0 Z9 0 U1 4 U2 16 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 DEC 1 PY 2015 VL 364 BP 20 EP 26 DI 10.1016/j.nimb.2015.07.115 PG 7 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA CY7VP UT WOS:000366617700004 ER PT J AU Baxamusa, S Laurence, T Worthington, M Ehrmann, P AF Baxamusa, Salmaan Laurence, Ted Worthington, Matthew Ehrmann, Paul TI Photo-oxidation of polymer-like amorphous hydrogenated carbon under visible light illumination SO POLYMER DEGRADATION AND STABILITY LA English DT Article DE Amorphous hydrogenated carbon; Plasma polymer; Photo-oxidation; Visible light; Aging ID PLASMA POLYMERS; METHYL-METHACRYLATE; FILMS; OXIDATION; DEPOSITION; STABILITY; COATINGS; NITROGEN; XPS AB Amorphous hydrogenated carbon (a-C:H), a polymer-like network typically synthesized by plasma chemical vapor deposition, has long been known to exhibit optical absorption of visible light (lambda > 400 nm). Here, we report that this absorption is accompanied by rapid photo-oxidation (within minutes) that behaves in most respects like classic polymer photo-oxidation with the exception that it occurs under visible light illumination rather than ultraviolet illumination. Lower plasma power during deposition produces a-C:H that is less crosslinked, is less absorptive, has longer photoluminescence lifetimes, and has a slower photo-oxidative degradation than a-C:H deposited at higher plasma power. The optical gap of the material deposited here is similar to 2.5 eV, and we correspondingly observe photo-oxidation at photon energies of 2.7 and 3.1 eV. A reduced photo-oxidative response is observed at sub-gap energies, suggesting that defect states or absorption tails enable absorption at lower energies. The photo-oxidation depends on both the total accumulated dose as well as the intensity of the illumination, suggesting either a transport limitation of 02 in the a-C:H or a complex reaction pathway. Under typical laboratory lighting conditions, plasma CVD a-C:H continues to photo-oxidize for more than 20 weeks, demonstrating that any characterization of the long-term behavior of a-C:H under use conditions requires control of not only atmospheric conditions but also ambient lighting environment. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Baxamusa, Salmaan; Laurence, Ted; Worthington, Matthew; Ehrmann, Paul] Lawrence Livermore Natl Lab, Div Mat Sci, Livermore, CA USA. RP Baxamusa, S (reprint author), L-470,7000 East Ave, Livermore, CA 94550 USA. EM baxamusal@llnl.gov FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344 within the LDRD program. NR 41 TC 2 Z9 2 U1 3 U2 6 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0141-3910 EI 1873-2321 J9 POLYM DEGRAD STABIL JI Polym. Degrad. Stabil. PD DEC PY 2015 VL 122 BP 133 EP 138 DI 10.1016/j.polymdegradstab.2015.11.001 PG 6 WC Polymer Science SC Polymer Science GA CZ0DX UT WOS:000366776400014 ER PT J AU Ju, Y Wang, L Liu, HB Tian, KP AF Ju, Yang Wang, Li Liu, Hongbin Tian, Kaipei TI An experimental investigation of the thermal spalling of polypropylene-fibered reactive powder concrete exposed to elevated temperatures SO SCIENCE BULLETIN LA English DT Article DE Polypropylene reactive powder concrete (PPRPC); Thermal spalling; Vapor pressure mechanism; Polypropylene fibers; Elevated temperatures ID HIGH-PERFORMANCE CONCRETE; HIGH-STRENGTH CONCRETE; MECHANICAL-PROPERTIES; PORE PRESSURE; HEATED CONCRETE; CEMENT PASTES; BEHAVIOR; FIRE; MICROSTRUCTURE; RPC AB Polypropylene fibers are embedded to prevent reactive powder concrete (RPC) from spalling failure under high temperatures. This paper probes the influence of embedded fibers at various volumetric dosages on the thermomechanical properties of polypropylene-fibered reactive powder concrete (PPRPC) exposed to high temperatures up to 350 degrees C and on the spalling performance and characteristics up to 600 degrees C. The thermomechanical properties include the characteristic temperature for spalling, and residual strengths, such as the compressive strength, split tensile strength, and flexural tensile strength. A high-definition charge-coupled device camera and scanning electron microscope technology were employed to capture the spalling processes and to detect the microstructural changes in the materials with various fiber dosages. To understand and characterize the mechanism by which polypropylene fibers influence the thermal spalling of RPC, a numerical model to determine the moisture migration and vapor pressure transmission during spalling was developed in this paper. It showed that there was an optimal volumetric dosage of fibers to prevent PPRPC from explosive spalling. The relationships between the mechanical characteristics of PPRPC and the fiber dosages were derived based on experimental data. C1 [Ju, Yang; Liu, Hongbin] China Univ Min & Technol, State Key Lab Coal Resources & Safe Min, Beijing 100083, Peoples R China. [Ju, Yang] China Univ Min & Technol, State Key Lab Geomech & Deep Underground Engn, Xuzhou 221116, Peoples R China. [Ju, Yang] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Wang, Li] China Univ Min & Technol, Sch Mech & Civil Engn, Beijing 100083, Peoples R China. [Tian, Kaipei] Univ Stuttgart, Inst Construct Mat, D-70569 Stuttgart, Germany. RP Ju, Y (reprint author), China Univ Min & Technol, State Key Lab Coal Resources & Safe Min, Beijing 100083, Peoples R China. EM juy@cumtb.edu.cn FU National Natural Science Foundation of China [51125017, 50974125]; Research Fund for Doctoral Programs of Chinese Ministry of Education [20110023110015]; Fund for Creative Research & Development Group Program of Jiangsu Province; Priority Academic Program Development of Jiangsu Higher Education Institutions (PAPD) FX This work was supported by the National Natural Science Foundation of China (51125017 and 50974125), Research Fund for Doctoral Programs of Chinese Ministry of Education (20110023110015), the Fund for Creative Research & Development Group Program of Jiangsu Province, and the Priority Academic Program Development of Jiangsu Higher Education Institutions (PAPD). NR 65 TC 2 Z9 2 U1 7 U2 26 PU SCIENCE PRESS PI BEIJING PA 16 DONGHUANGCHENGGEN NORTH ST, BEIJING 100717, PEOPLES R CHINA SN 2095-9273 EI 2095-9281 J9 SCI BULL JI Sci. Bull. PD DEC PY 2015 VL 60 IS 23 BP 2022 EP 2040 DI 10.1007/s11434-015-0939-0 PG 19 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CY7ZS UT WOS:000366628800007 ER PT J AU Block, KI Gyllenhaal, C Lowe, L Amedei, A Amin, ARMR Amin, A Aquilano, K Arbiser, J Arreola, A Arzumanyan, A Ashraf, SS Azmi, AS Benencia, F Bhakta, D Bilsland, A Bishayeen, A Blain, SW Block, PB Boosani, CS Carey, TE Carnero, A Carotenuto, M Casey, SC Chakrabarti, M Chaturvedi, R Chen, GZ Chenx, H Chen, S Chen, YC Choi, BK Ciriolo, MR Coley, HM Collins, AR Connell, M Crawford, S Curran, CS Dabrosin, C Damia, G Dasgupta, S DeBerardinis, RJ Decker, WK Dhawan, P Diehl, AME Dong, JT Dou, QP Drew, JE Elkord, E El-Rayes, B Feitelson, MA Felsher, DW Ferguson, LR Fimognari, C Firestone, GL Frezza, C Fujii, H Fuster, MM Generali, D Georgakilas, AG Gieseler, F Gilbertson, M Green, MF Grue, B Guha, G Halicka, D Helferich, WG Heneberg, P Hentosh, P Hirschey, MD Hofseth, LJ Holcombe, RF Honoki, K Hsu, HY Huang, GS Jensen, LD Jiang, WG Jones, LW Karpowicz, PA Keith, WN Kerkar, SP Khan, GN Khatami, M Ko, YH Kucuk, O Kulathinal, RJ Kumar, NB Kwon, BS Le, A Lea, MA Lee, HY Lichtor, T Lin, LT Locasale, JW Lokeshwar, BL Longo, VD Lyssiotis, CA MacKenzie, KL Malhotra, M Marino, M Martinez-Chantar, ML Matheu, A Maxwell, C McDonnell, E Meeker, AK Mehrmohamadi, M Mehta, K Michelotti, GA Mohammad, RM Mohammed, SI Morre, DJ Muqbil, I Muralidhar, V Murphy, MP Nagaraju, GP Nahta, R Niccolai, E Nowsheen, S Panis, C Pantano, F Parslow, VR Pawelec, G Pedersen, PL Poore, B Poudyal, D Prakash, S Prince, M Raffaghello, L Rathmell, JC Rathmell, WK Ray, SK Reichrath, J Rezazadeh, S Ribatti, D Ricciardiello, L Robey, RB Rodier, F Rupasinghe, HPV Russo, GL Ryan, EP Samadi, AK Sanchez-Garcia, I Sanders, AJ Santini, D Sarkar, M Sasada, T Saxena, NK Shackelford, RE Kumara, HMCS Sharma, D Shin, DM Sidransky, D Siegelin, MD Signori, E Singh, N Sivanand, S Sliva, D Smythe, C Spagnuolo, C Stafforini, DM Stagg, J Subbarayan, PR Sundin, T Talib, WH Thompson, SK Tran, PT Ungefroren, H Vander Heiden, MG Venkateswaran, V Vinay, DS Vlachostergios, PJ Wang, ZW Wellendx, KE Whelan, RL Yang, ES Yang, HJ Yang, XJ Yaswen, P Yedjou, C Yin, X Zhu, JY Zollo, M AF Block, Keith I. Gyllenhaal, Charlotte Lowe, Leroy Amedei, Amedeo Amin, A. R. M. Ruhul Amin, Amr Aquilano, Katia Arbiser, Jack Arreola, Alexandra Arzumanyan, Alla Ashraf, S. Salman Azmi, Asfar S. Benencia, Fabian Bhakta, Dipita Bilsland, Alan Bishayeen, Anupam Blain, Stacy W. Block, Penny B. Boosani, Chandra S. Carey, Thomas E. Carnero, Amancio Carotenuto, Marianeve Casey, Stephanie C. Chakrabarti, Mrinmay Chaturvedi, Rupesh Chen, Georgia Zhuo Chenx, Helen Chen, Sophie Chen, Yi Charlie Choi, Beom K. Ciriolo, Maria Rosa Coley, Helen M. Collins, Andrew R. Connell, Marisa Crawford, Sarah Curran, Colleen S. Dabrosin, Charlotta Damia, Giovanna Dasgupta, Santanu DeBerardinis, Ralph J. Decker, William K. Dhawan, Punita Diehl, Anna Mae E. Dong, Jin-Tang Dou, Q. Ping Drew, Janice E. Elkord, Eyad El-Rayes, Bassel Feitelson, Mark A. Felsher, Dean W. Ferguson, Lynnette R. Fimognari, Carmela Firestone, Gary L. Frezza, Christian Fujii, Hiromasa Fuster, Mark M. Generali, Daniele Georgakilas, Alexandros G. Gieseler, Frank Gilbertson, Michael Green, Michelle F. Grue, Brendan Guha, Gunjan Halicka, Dorota Helferich, William G. Heneberg, Petr Hentosh, Patricia Hirschey, Matthew D. Hofseth, Lorne J. Holcombe, Randall F. Honoki, Kanya Hsu, Hsue-Yin Huang, Gloria S. Jensen, Lasse D. Jiang, Wen G. Jones, Lee W. Karpowicz, Phillip A. Keith, W. Nicol Kerkar, Sid P. Khan, Gazala N. Khatami, Mahin Ko, Young H. Kucuk, Omer Kulathinal, Rob J. Kumar, Nagi B. Kwon, Byoung S. Le, Anne Lea, Michael A. Lee, Ho-Young Lichtor, Terry Lin, Liang-Tzung Locasale, Jason W. Lokeshwar, Bal L. Longo, Valter D. Lyssiotis, Costas A. MacKenzie, Karen L. Malhotra, Meenakshi Marino, Maria Martinez-Chantar, Maria L. Matheu, Ander Maxwell, Christopher McDonnell, Eoin Meeker, Alan K. Mehrmohamadi, Mahya Mehta, Kapil Michelotti, Gregory A. Mohammad, Ramzi M. Mohammed, Sulma I. Morre, D. James Muqbil, Irfana Muralidhar, Vinayak Murphy, Michael P. Nagaraju, Ganji Purnachandra Nahta, Rita Niccolai, Elena Nowsheen, Somaira Panis, Carolina Pantano, Francesco Parslow, Virginia R. Pawelec, Graham Pedersen, Peter L. Poore, Brad Poudyal, Deepak Prakash, Satya Prince, Mark Raffaghello, Lizzia Rathmell, Jeffrey C. Rathmell, W. Kimryn Ray, Swapan K. Reichrath, Joerg Rezazadeh, Sarallah Ribatti, Domenico Ricciardiello, Luigi Robey, R. Brooks Rodier, Francis Rupasinghe, H. P. Vasantha Russo, Gian Luigi Ryan, Elizabeth P. Samadi, Abbas K. Sanchez-Garcia, Isidro Sanders, Andrew J. Santini, Daniele Sarkar, Malancha Sasada, Tetsuro Saxena, Neeraj K. Shackelford, Rodney E. Kumara, H. M. C. Shantha Sharma, Dipali Shin, Dong M. Sidransky, David Siegelin, Markus David Signori, Emanuela Singh, Neetu Sivanand, Sharanya Sliva, Daniel Smythe, Carl Spagnuolo, Carmela Stafforini, Diana M. Stagg, John Subbarayan, Pochi R. Sundin, Tabetha Talib, Wamidh H. Thompson, Sarah K. Tran, Phuoc T. Ungefroren, Hendrik Vander Heiden, Matthew G. Venkateswaran, Vasundara Vinay, Dass S. Vlachostergios, Panagiotis J. Wang, Zongwei Wellendx, Kathryn E. Whelan, Richard L. Yang, Eddy S. Yang, Huanjie Yang, Xujuan Yaswen, Paul Yedjou, Clement Yin, Xin Zhu, Jiyue Zollo, Massimo TI Designing a broad-spectrum integrative approach for cancer prevention and treatment SO SEMINARS IN CANCER BIOLOGY LA English DT Review DE Multi-targeted; Cancer hallmarks; Phytochemicals; Targeted therapy; Integrative medicine ID RANDOMIZED CONTROLLED-TRIALS; TEA POLYPHENOL (-)-EPIGALLOCATECHIN-3-GALLATE; BOTANICAL DIETARY-SUPPLEMENTS; TRADITIONAL CHINESE MEDICINE; CONTROLLED CLINICAL-TRIAL; METASTATIC BREAST-CANCER; ENDOTHELIAL-CELL-GROWTH; III COLON-CANCER; PHASE-I TRIAL; LOW-FAT DIETS AB Targeted therapies and the consequent adoption of "personalized" oncology have achieved notable successes in some cancers; however, significant problems remain with this approach. Many targeted therapies are highly toxic, costs are extremely high, and most patients experience relapse after a few disease-free months. Relapses arise from genetic heterogeneity in tumors, which harbor therapy-resistant immortalized cells that have adopted alternate and compensatory pathways (i.e., pathways that are not reliant upon the same mechanisms as those which have been targeted). To address these limitations, an international task force of 180 scientists was assembled to explore the concept of a low-toxicity "broadspectrum" therapeutic approach that could simultaneously target many key pathways and mechanisms. Using cancer hallmark phenotypes and the tumor microenvironment to account for the various aspects of relevant cancer biology, interdisciplinary teams reviewed each hallmark area and nominated a wide range of high-priority targets (74 in total) that could be modified to improve patient outcomes. For these targets, corresponding low-toxicity therapeutic approaches were then suggested, many of which were phytochemicals. Proposed actions on each target and all of the approaches were further reviewed for known effects on other hallmark areas and the tumor microenvironment Potential contrary or procarcinogenic effects were found for 3.9% of the relationships between targets and hallmarks, and mixed evidence of complementary and contrary relationships was found for 7.1%. Approximately 67% of the relationships revealed potentially complementary effects, and the remainder had no known relationship. Among the approaches, 1.1% had contrary, 2.8% had mixed and 62.1% had complementary relationships. These results suggest that a broad-spectrum approach should be feasible from a safety standpoint. This novel approach has potential to be relatively inexpensive, it should help us address stages and types of cancer that lack conventional treatment, and it may reduce relapse risks. A proposed agenda for future research is offered. (C) 2015 The Authors. Published by Elsevier Ltd. C1 [Block, Keith I.; Gyllenhaal, Charlotte; Block, Penny B.] Block Ctr Integrat Canc Treatment, Skokie, IL 60077 USA. [Lowe, Leroy] Getting Know Canc, Truro, NS, Canada. [Amedei, Amedeo] Univ Florence, Dept Expt & Clin Med, Florence, Italy. [Amin, Amr] Univ Florence, Dept Expt & Clin Med, Florence, Italy. [Aquilano, Katia; Ciriolo, Maria Rosa] United Arab Emirates Univ, Coll Sci, Dept Biol, Al Ain, U Arab Emirates. [Arreola, Alexandra; Rathmell, W. Kimryn] Univ Roma Tor Vergata, Dept Biol, Rome, Italy. [Arzumanyan, Alla; Feitelson, Mark A.; Kulathinal, Rob J.] Univ N Carolina, Lineberger Comprehens Canc Ctr, Chapel Hill, NC 27599 USA. [Ashraf, S. Salman] Temple Univ, Dept Biol, Philadelphia, PA 19122 USA. [Azmi, Asfar S.; Dou, Q. Ping; Mohammad, Ramzi M.; Muqbil, Irfana] United Arab Emirates Univ, Coll Sci, Dept Chem, Al Ain, U Arab Emirates. [Benencia, Fabian] Wayne State Univ, Karmanos Canc Inst, Dept Oncol, Detroit, MI USA. [Bhakta, Dipita; Guha, Gunjan] Ohio Univ, Dept Biomed Sci, Athens, OH 45701 USA. [Bilsland, Alan; Keith, W. Nicol] SASTRA Univ, Sch Chem & Bio Technol, Thanjavur, Tamil Nadu, India. [Bishayeen, Anupam] Univ Glasgow, Glasgow, Lanark, Scotland. [Blain, Stacy W.] Larkin Hlth Sci Inst, Coll Pharm, Dept Pharmaceut Sci, Miami, FL USA. [Boosani, Chandra S.] Suny Downstate Med Ctr, Dept Pediat, Brooklyn, NY USA. [Carey, Thomas E.] Creighton Univ, Sch Med, Dept Biomed Sci, Omaha, NE 68178 USA. [Carnero, Amancio] Univ Michigan, Head & Neck Canc Biol Lab, Ann Arbor, MI USA. [Carotenuto, Marianeve; Zollo, Massimo] CSIC, Inst Biomed Sevilla, Seville, Spain. [Carotenuto, Marianeve; Zollo, Massimo] Ctr Ingn Genet & Biotecnol Avanzate, Naples, Italy. [Casey, Stephanie C.; Felsher, Dean W.] Univ Naples Federico II, Dept Mol Med & Med Biotechnol, I-80131 Naples, Italy. [Chakrabarti, Mrinmay; Ray, Swapan K.] Stanford Univ, Div Oncol, Dept Pathol & Med, Stanford, CA 94305 USA. [Chaturvedi, Rupesh] Univ S Carolina, Sch Med, Dept Pathol Microbiol & Immunol, Columbia, SC USA. [Chenx, Helen; Connell, Marisa; Maxwell, Christopher] Jawaharlal Nehru Univ, Sch Biotechnol, New Delhi 110067, India. [Chen, Sophie] Univ British Columbia, Dept Pediat, Michael Cuccione Childhood Canc Res Program, Child & Family Res Inst, Vancouver, BC V6T 1W5, Canada. [Chen, Yi Charlie] Ovarian & Prostate Canc Res Lab, Guildford, Surrey, England. [Chen, Yi Charlie] Alderson Broaddus Univ, Dept Biol, Philadelphia, PA USA. [Gyllenhaal, Charlotte; Choi, Beom K.; Kwon, Byoung S.] Natl Canc Ctr, Div Canc Biol, Canc Immunol Branch, Goyang, Gyeonggi, South Korea. [Coley, Helen M.] Univ Surrey, Fac Hlth & Med Sci, Guildford GU2 5XH, Surrey, England. [Collins, Andrew R.] Univ Oslo, Fac Med, Dept Nutr, Oslo 3, Norway. [Crawford, Sarah] So Connecticut State Univ, Canc Biol Res Lab, New Haven, CT 06515 USA. [Curran, Colleen S.] Univ Wisconsin, Sch Med & Publ Hlth, Madison, WI USA. [Dabrosin, Charlotta] Linkoping Univ, Dept Oncol, Linkoping, Sweden. [Dabrosin, Charlotta] Linkoping Univ, Dept Clin & Expt Med, Linkoping, Sweden. [Damia, Giovanna] Ist Ric Farmacol Mario Negri, Ist Ricovero Cura Carattere Sci, Dept Oncol, Milan, Italy. [Dasgupta, Santanu] Univ Texas Hlth Sci Ctr Tyler, Dept Cellular & Mol Biol, Tyler, TX USA. [Vinay, Dass S.] Tulane Univ, Hlth Sci Ctr, Dept Med, Sect Clin Immunol Allergy & Rheumatol, New Orleans, LA USA. [DeBerardinis, Ralph J.] Univ Texas SW Med Ctr Dallas, Childrens Med Ctr Res Inst, Dallas, TX 75390 USA. [Decker, William K.] Baylor Coll Med, Dept Pathol & Immunol, Houston, TX 77030 USA. [Dhawan, Punita] Vanderbilt Univ, Sch Med, Div Surg Oncol, Dept Surg & Canc Biol, Nashville, TN 37212 USA. [Diehl, Anna Mae E.; Michelotti, Gregory A.] Duke Univ, Med Ctr, Dept Med, Durham, NC 27710 USA. [Drew, Janice E.] Univ Aberdeen, Rowett Inst Nutr & Hlth, Aberdeen, Scotland. [Elkord, Eyad] United Arab Emirates Univ, Coll Med & Hlth Sci, Al Ain, U Arab Emirates. [El-Rayes, Bassel; Nagaraju, Ganji Purnachandra] Emory Univ, Dept Hematol & Med Oncol, Atlanta, GA 30322 USA. [Ferguson, Lynnette R.; Parslow, Virginia R.] Univ Auckland, Discipline Nutr, Auckland 1, New Zealand. [Fimognari, Carmela] Univ Auckland, Auckland Canc Soc Res Ctr, Auckland 1, New Zealand. [Firestone, Gary L.] Univ Bologna, Dipartimento Sci Qualita Vita Alma Mater Studioru, Rimini, Italy. [Frezza, Christian] Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. [Fujii, Hiromasa] Univ Cambridge, Hutchison MRC Res Ctr, Med Res Council Canc Unit, Cambridge, England. [Fuster, Mark M.; Yin, Xin] Nara Med Univ, Dept Orthoped Surg, Kashihara, Nara 634, Japan. [Generali, Daniele] Univ Calif San Diego, Med & Res Serv, Vet Affairs San Diego Healthcare Syst, San Diego, CA 92103 USA. [Generali, Daniele] Univ Calif San Diego, San Diego, CA 92103 USA. [Georgakilas, Alexandros G.] Univ Trieste, Dept Med Surg & Hlth Sci, Trieste, Italy. [Gieseler, Frank; Ungefroren, Hendrik] Azienda Osped Ist Ospitalieri Cremona, Mol Therapy & Pharrnacogen Unit, Cremona, Italy. [Gilbertson, Michael] Natl Tech Univ Athens, Sch Appl Math & Phys Sci, Dept Phys, Athens, Greece. [Green, Michelle F.; Hirschey, Matthew D.; McDonnell, Eoin; Rathmell, Jeffrey C.] Univ Hosp Schleswig Holstein, Dept Med 1, Lubeck, Germany. [Grue, Brendan] Getting Know Canc, Guelph, ON, Canada. [Halicka, Dorota] Duke Univ, Med Ctr, Duke Mol Physiol Inst, Durham, NC USA. [Helferich, William G.; Yang, Xujuan] Dalhousie Univ, Dept Environm Sci Microbiol & Immunol, Halifax, NS, Canada. [Heneberg, Petr] New York Med Coll, Dept Pathol, Valhalla, NY 10595 USA. [Hentosh, Patricia] Univ Illinois, Champaign, IL 61820 USA. [Hofseth, Lorne J.; Poudyal, Deepak] Charles Univ Prague, Fac Med 3, Prague, Czech Republic. [Holcombe, Randall F.] Old Domin Univ, Sch Med Lab & Radiat Sci, Norfolk, VA USA. [Hsu, Hsue-Yin] Univ S Carolina, Coll Pharm, Columbia, SC 29208 USA. [Huang, Gloria S.] Mt Sinai Sch Med, Tisch Canc Inst, New York, NY USA. [Jensen, Lasse D.] Tzu Chi Univ, Dept Life Sci, Hualien, Taiwan. [Jensen, Lasse D.] Albert Einstein Coll Med, Bronx, NY 10467 USA. [Jensen, Lasse D.] Montefiore Med Ctr, Bronx, NY 10467 USA. [Jensen, Lasse D.] Linkoping Univ, Dept Med & Hlth Sci, Linkoping, Sweden. [Jensen, Lasse D.] Karolinska Inst, Dept Microbiol Tumor & Cell Biol, Stockholm, Sweden. [Jiang, Wen G.; Sanders, Andrew J.] Cardiff Univ, Sch Med, Heath Pk, Cardiff, Wales. [Jones, Lee W.] Mem Sloan Kettering Canc Ctr, Dept Med, New York, NY 10021 USA. [Karpowicz, Phillip A.] Univ Windsor, Windsor, ON N9B 3P4, Canada. [Kerkar, Sid P.] Mayo Clin, Lab Med & Pathol, Rochester, MN USA. [Khan, Gazala N.] Henry Ford Hosp, Detroit, MI 48202 USA. [Khatami, Mahin] Natl Inst Hlth, Natl Canc Inst, Inflammat & Canc Res, Bethesda, MD USA. [Ko, Young H.] Univ Maryland BioPark, Innovat Ctr, KoDiscovery, Baltimore, MD USA. [Kumar, Nagi B.] Univ S Florida, Coll Med, Moffitt Canc Ctr, Tampa, FL USA. [Kumara, H. M. C. Shantha; Whelan, Richard L.] St Lukes Roosevelt Hosp, Dept Surg, New York, NY 10025 USA. [Kwon, Byoung S.] Tulane Univ, Dept Med, Hlth Sci Ctr, New Orleans, LA 70118 USA. [Le, Anne; Poore, Brad] Johns Hopkins Univ, Sch Med, Dept Pathol, Sol Goldman Pancreat Canc Res Ctr, Baltimore, MD USA. [Lea, Michael A.] Rutgers State Univ, New Jersey Med Sch, Newark, NJ USA. [Lee, Ho-Young] Seoul Natl Univ, Coll Pharm, Seoul 151, South Korea. [Lichtor, Terry] Rush Univ, Med Ctr, Dept Neurosurg, Chicago, IL 60612 USA. [Lin, Liang-Tzung] Taipei Med Univ, Coll Med, Sch Med, Dept Microbiol & Immunol, Taipei, Taiwan. [Locasale, Jason W.] Cornell Univ, Div Nutr Sci, Ithaca, NY 14853 USA. [Lokeshwar, Bal L.] Georgia Regents Univ, Ctr Canc, Dept Med, Augusta, GA USA. [Longo, Valter D.] Univ So Calif, Div Biogerontol, Andrus Gerontol Ctr, Los Angeles, CA USA. [Lyssiotis, Costas A.] Univ Michigan, Dept Mol & Integrat Physiol, Ann Arbor, MI USA. [Lyssiotis, Costas A.] Univ Michigan, Dept Internal Med, Div Gastroenterol, Ann Arbor, MI USA. [MacKenzie, Karen L.] Childrens Canc Inst Australia, Kensington, NSW, Australia. [Malhotra, Meenakshi; Prakash, Satya] McGill Univ, Dept Biomed Engn, Montreal, PQ, Canada. [Marino, Maria] Univ Rome Tre, Dept Sci, I-00146 Rome, Italy. [Martinez-Chantar, Maria L.] Technol Pk Bizkaia, Ctr Invest Biomed Red Enfermedades Hepat Digest, Metabol Unit, Bizkaia, Spain. [Matheu, Ander] Biodonostia Inst, Gipuzkoa, Spain. [Meeker, Alan K.] Johns Hopkins Univ, Sch Med, Dept Pathol, Baltimore, MD 21205 USA. [Mehrmohamadi, Mahya] Cornell Univ, Dept Mol Biol & Genet, Field Genet Gen & Dev, Ithaca, NY USA. [Mehta, Kapil] Univ Texas MD Anderson Canc Ctr, Dept Expt Therapeut, Houston, TX 77030 USA. [Mohammed, Sulma I.] Purdue Univ, Ctr Canc Res, Dept Comparat Pathobiol, W Lafayette, IN 47907 USA. [Morre, D. James] Mor NuCo Inc, Purdue Res Pk, W Lafayette, IN USA. [Muralidhar, Vinayak] Harvard Univ, Sch Med, Harvard MIT Div Hlth Sci & Technol, Boston, MA USA. [Muralidhar, Vinayak; Vander Heiden, Matthew G.] MIT, Koch Inst Integrat Canc Res, Cambridge, MA 02139 USA. [Murphy, Michael P.] MRC Mitochondrial Biol Unit, Cambridge, England. [Niccolai, Elena] Univ Florence, Florence, Italy. [Nowsheen, Somaira] Mayo Clin, Mayo Med Sch, Mayo Grad Sch, Med Sci Training Program, Rochester, MN USA. [Panis, Carolina] State Univ West Parana, UNIOESTE, Lab Inflammatory Mediators, Parana, Brazil. [Pantano, Francesco; Santini, Daniele] Univ Campus Bio Med, Dept Med Oncol, Rome, Italy. [Pawelec, Graham] Univ Tubingen, Med Res Ctr, Tubingen, Germany. [Pedersen, Peter L.] Johns Hopkins Univ, Sch Med, Sidney Kimmel Comprehens Canc Ctr, Dept Biol Chem & Oncol Member Large, Baltimore, MD USA. [Prince, Mark] Univ Michigan, Sch Med, Dept Otolaryngol Head & Neck, Ann Arbor, MI USA. [Raffaghello, Lizzia] Ist Giannina Gaslini, Lab Oncol, I-16148 Genoa, Italy. [Reichrath, Joerg] Saarland Univ Hosp, Clin Dermatol Venerol & Allergol, Ctr Clin & Expt Photodermatol, Homburg, Germany. [Rezazadeh, Sarallah] Univ Rochester, Dept Biol, Rochester, NY 14627 USA. [Ribatti, Domenico] Univ Bari, Sch Med, Dept Basic Med Sci Neurosci & Sensory Organs, Bari, Italy. [Ricciardiello, Luigi] Natl Canc Inst Giovanni Paolo II, Bari, Italy. [Robey, R. Brooks] Univ Bologna, Dept Med & Surg Sci, Bologna, Italy. [Robey, R. Brooks] White River Junct Vet Affairs Med Ctr, White River Jct, VT USA. [Rodier, Francis] Geisel Sch Med Dartmouth, Hanover, NH USA. [Rodier, Francis] Univ Montreal, Ctr Rech Ctr Hosp, Montreal, PQ, Canada. [Rupasinghe, H. P. Vasantha] Inst Canc Montreal, Montreal, PQ, Canada. [Russo, Gian Luigi; Spagnuolo, Carmela] Univ Montreal, Dept Radiol, Radio Oncol & Med Nucl, Montreal, PQ, Canada. [Ryan, Elizabeth P.] Dalhousie Univ, Dept Environm Sci, Fac Agr, Halifax, NS, Canada. [Samadi, Abbas K.] Dalhousie Univ, Dept Pathol, Fac Med, Halifax, NS, Canada. [Sanchez-Garcia, Isidro] CNR, Inst Food Sci, Avellino, Italy. [Sarkar, Malancha] Colorado State Univ, Dept Environm & Radiol Hlth Sci, Ft Collins, CO 80523 USA. [Sasada, Tetsuro] Sanus Biosci, San Diego, CA USA. [Saxena, Neeraj K.] Univ Salamanca, CSIC, Inst Biol Mol & Celular Canc, Expt Therapeut & Translat Oncol Program, E-37008 Salamanca, Spain. [Shackelford, Rodney E.] Univ Miami, Dept Biol, Miami, FL USA. [Sharma, Dipali] Kurume Univ, Sch Med, Dept Immunol, Kurume, Fukuoka 830, Japan. [Sidransky, David] Univ Maryland, Sch Med, Dept Med, Baltimore, MD 21201 USA. [Siegelin, Markus David] Louisiana State Univ, Hlth Shreveport, Dept Pathol, Shreveport, LA 71105 USA. [Signori, Emanuela] Johns Hopkins Univ, Sch Med, Dept Oncol, Baltimore, MD 21205 USA. [Signori, Emanuela] Johns Hopkins Univ, Sidney Kimmel Comprehens Canc Ctr, Baltimore, MD USA. [Singh, Neetu] Johns Hopkins Univ, Sch Med, Dept Otolaryngol Head & Neck Surg, Baltimore, MD USA. [Sivanand, Sharanya; Wellendx, Kathryn E.] Columbia Univ, Med Ctr, Dept Pathol & Cell Biol, New York, NY USA. [Sliva, Daniel] Inst Translat Pharmacol, Natl Res Council, Rome, Italy. [Singh, Neetu] King Georges Med Univ, Adv Mol Sci Res Ctr, Ctr Adv Res, Lucknow, Uttar Pradesh, India. [Sivanand, Sharanya; Wellendx, Kathryn E.] Univ Penn, Perelman Sch Med, Dept Canc Biol, Philadelphia, PA 19104 USA. [Sliva, Daniel] Purdue Res Pk, DSTest Labs, Indianapolis, IN USA. [Smythe, Carl] Univ Sheffield, Dept Biomed Sci, Sheffield Canc Res Ctr, Sheffield S10 2TN, S Yorkshire, England. [Stafforini, Diana M.] Univ Utah, Huntsman Canc Inst, Salt Lake City, UT USA. [Stagg, John] Univ Utah, Dept Internal Med, Salt Lake City, UT USA. [Subbarayan, Pochi R.] Univ Montreal, Ctr Rech Ctr Hosp, Faculte Pharmacie, Inst Canc Montreal, Montreal, PQ, Canada. [Sundin, Tabetha] Univ Miami, Sch Med, Dept Med, Miami, FL USA. [Talib, Wamidh H.] Sentara Healthcare, Dept Mol Diagnost, Norfolk, VA USA. [Thompson, Sarah K.] Appl Sci Univ, Dept Clin Pharm & Therapeut, Amman, Jordan. [Tran, Phuoc T.] Royal Adelaide Hosp, Dept Surg, Adelaide, SA 5000, Australia. [Venkateswaran, Vasundara] Johns Hopkins Univ, Sch Med, Baltimore, MD USA. [Vlachostergios, Panagiotis J.] Johns Hopkins Univ, Dept Radiat Oncol, Baltimore, MD USA. [Wang, Zongwei] Johns Hopkins Univ, Dept Mol Radiat Sci Oncol & Urol, Baltimore, MD USA. [Venkateswaran, Vasundara] Univ Toronto, Dept Surg, Div Urol, Sunnybrook Hlth Sci Ctr, Toronto, ON, Canada. [Vlachostergios, Panagiotis J.] New York Univ, Lutheran Med Ctr, Dept Internal Med, Brooklyn, NY USA. [Wang, Zongwei] Harvard Univ, Sch Med, Massachusetts Gen Hosp, Dept Urol, Boston, MA USA. [Yang, Eddy S.] Univ Alabama Birmingham, Med Sch Birmingham, Dept Radiat Oncol, Birmingham, AL USA. [Yang, Huanjie] Harbin Inst Technol, Sch Life Sci & Technol, Harbin 150006, Heilongjiang, Peoples R China. [Yaswen, Paul] Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA USA. [Yedjou, Clement] Jackson State Univ, Dept Biol, Jackson, MS USA. [Zhu, Jiyue] Washington State Univ, Coll Pharm, Spokane, WA USA. [Arbiser, Jack] Atlanta Vet Adm Med Ctr, Atlanta, GA USA. [Arbiser, Jack] Emory Univ, Emory Univ Sch Med, Dept Dermatol, Atlanta, GA USA. [Lowe, Leroy] Univ Lancaster, Lancaster Environm Ctr, Lancaster, England. RP Block, KI (reprint author), Block Ctr Integrat Canc Treatment, Skokie, IL 60077 USA. EM drblock@blockmedical.com; Leroy.lowe@gettingtoknowcancer.org RI Bhakta-Guha, Dipita/E-8076-2012; Ganji, Purna chandra N/D-4193-2011; Karpowicz, Phillip/C-3334-2016; Robey, R. Brooks/J-7099-2013; Heneberg, Petr/C-1881-2012; Mackenzie, Karen/F-1310-2011; IBIS, CANCER/P-3323-2015; Keith, Nicol/D-3325-2009; Zollo, Massimo/K-5857-2016; niccolai, elena/K-6091-2016; Ciriolo, Maria /K-6572-2016; AQUILANO, KATIA/K-8888-2016; Jiang, Wen/B-1293-2010 OI Pantano, Francesco/0000-0002-2894-9686; Raffaghello, Lizzia/0000-0003-2357-0607; Bhakta-Guha, Dipita/0000-0002-7144-3947; Gieseler, Frank/0000-0001-6409-3822; RICCIARDIELLO, LUIGI/0000-0003-2568-6208; SANCHEZ-GARCIA, ISIDRO/0000-0001-6989-9905; Elkord, Eyad/0000-0002-3868-0318; Locasale, Jason/0000-0002-7766-3502; Ganji, Purna chandra N/0000-0002-4989-5234; Robey, R. Brooks/0000-0001-5059-3965; signori, emanuela/0000-0003-0286-7401; Heneberg, Petr/0000-0002-0703-951X; Keith, Nicol/0000-0001-7862-3580; Zollo, Massimo/0000-0002-0970-7243; niccolai, elena/0000-0002-9205-8079; AQUILANO, KATIA/0000-0002-5905-9870; Jiang, Wen/0000-0002-3283-1111 FU Terry Fox Foundation Grant [TF-13-20]; UAEU Program for Advanced Research (UPAR) [31S118]; NIH [AR47901, R21CA188818, R15 CA137499-01, F32CA177139, P20RR016477, P20GM103434, R01CA170378, U54CA149145, U54CA143907, R01-HL107652, R01CA166348, R01GM071725, R01 CA109335-04A1, 109511R01CA151304CA168997 A11106131R03CA1711326 1P01AT003961RO1 CA100816P01AG034906 R01AG020642P01AG034906-01A1R01HL108006]; NIH NRSA Grant [F31CA154080]; NIH (NIAID) R01: Combination therapies for chronic HBV, liver disease, and cancer [AI076535]; Sky Foundation Inc. Michigan; University of Glasgow; Beatson Oncology Centre Fund; Spanish Ministry of Economy and Competitivity, ISCIII [PI12/00137, RTICC: RD12/0036/0028]; FEDER from Regional Development European Funds (European Union), Consejeria de Ciencia e Innovacion [CTS-6844, CTS-1848]; Consejeria de Salud of the Junta de Andalucia [PI-0135-2010, PI-0306-2012]; ISCIII [PIE13/0004]; FEDER funds; United Soybean Board; NIH NCCAM Grant [K01AT007324]; NIH NCI Grant [R33 CA161873-02]; Michael Cuccione Childhood Cancer Foundation Graduate Studentship; Ovarian and Prostate Cancer Research Trust, UK; West Virginia Higher Education Policy Commission/Division of Science Research; National Institutes of Health; Italian Association for Cancer Research (AIRC) [IG10636, 15403]; GRACE Charity, UK; Breast Cancer Campaign, UK; Michael Cuccione Childhood Cancer Foundation Postdoctoral Fellowship; Connecticut State University; Swedish Research Council; Swedish Research Society; University of Texas Health Science Centre at Tyler, Elsa U. Pardee Foundation; CPRIT; Cancer Prevention and Research Institute of Texas; NIH National Institute of Diabetes and Digestive and Kidney Diseases (NIDDK); NIH National Institute on Alcohol Abuse and Alcoholism (NIAAA); Gilead and Shire Pharmaceuticals; NIH/NCI [1R01CA20009, 5R01CAl27258-05, R21CA184788, NIH P30 CA22453, NCI RO1 28704]; Scottish Government's Rural and Environment Science and Analytical Services Division; National Research Foundation; United Arab Emirates University; Terry Fox Foundation; Novartis Pharmaceutical; Aveo Pharmaceutical; Roche; Bristol Myers Squibb; Bayer Pharmaceutical; Pfizer; Kyowa Kirin; NIH/NIAID Grant [A1076535]; Auckland Cancer Society; Cancer Society of New Zealand; NIH Public Service Grant from the National Cancer Institute [CA164095]; Medical Research Council CCU-Program Grant on cancer metabolism; EU Marie Curie Reintegration Grant [MC-CIG-303514]; Greek National funds through the Operational Program 'Educational and Lifelong Learning of the National Strategic Reference Framework (NSRF)-Research Funding Program THALES [MIS 379346]; COST Action CM1201 `Biomimetic Radical Chemistry'; Duke University Molecular Cancer Biology T32 Training Grant; National Sciences Engineering and Research Council Undergraduate Student Research Award in Canada; Charles University in Prague projects [UNCE 204015, PRVOUK P31/2012]; Czech Science Foundation projects [15-03834Y, P301/12/1686]; Czech Health Research Council AZV project [15-32432A]; Internal Grant Agency of the Ministry of Health of the Czech Republic project [NT13663-3/2012]; National Institute of Aging [P30AG028716-01]; NIH/NCI training grants to Duke University [T32-CA059365-19, 5T32-CA059365]; Ministry of Education, Culture, Sports, Science and Technology, Japan [24590493]; Ministry of Health and Welfare [CCMP101-RD-031, CCMP102-RD-112]; Tzu-Chi University of Taiwan [61040055-10]; Svenska Sallskapet for Medicinsk Forskning; Cancer Research Wales; Albert Hung Foundation; Fong Family Foundation; Welsh Government A4B scheme; NIH NCI; University of Glasgow, Beatson Oncology Centre Fund, CRUK [C301/A14762]; NIH Intramural Research Program; National Science Foundation; American Cancer Society; National Cancer Center [NCC-1310430-2]; National Research Foundation [NRF-2005-0093837]; Sol Goldman Pancreatic Cancer Research Fund Grant [80028595]; Lustgarten Fund Grant [90049125, NIHR21CA169757]; Alma Toorock Memorial for Cancer Research; National Research Foundation of Korea (NRF); Ministry of Science, ICT & Future Planning (MSIP), Republic of Korea [2011-0017639, 2011-0030001]; Ministry of Education of Taiwan [TMUTOP103005-4]; International Life Sciences Institute; United States' Public Health Services Grants [NIH R01CA156776]; VA-BLR&D Merit Review Grant [5101-BX001517-02]; V Foundation; Pancreatic Cancer Action Network; Damon Runyon Cancer Research Foundation; Children's Cancer Institute Australia; University Roma Tre; Italian Association for Cancer Research (AIRC-Grant) [IG15221]; Carlos III Health Institute; Feder funds [AM: CP10/00539, PI13/02277]; Basque Foundation for Science (IKERBASQUE); Marie Curie CIG Grant [2012/712404]; Canadian Institutes of Health Research; Avon Foundation for Women [OBC-134038]; Canadian Institutes of Health [MSH-136647, MOP 64308]; Bayer Healthcare System G4T (Grants4Targets); NIH NIDDK; NIH NIAAA; Shire Pharmaceuticals; Harvard-MIT Health Sciences and Technology Research Assistantship Award; Italian Ministry of University; University of Italy; Auckland Cancer Society Research Centre (ACSRC); German Federal Ministry of Education and Research (Bundesministerium fur Bildung und Forschung, BMBF) [16SV5536K]; European Commission [FP7 259679 "IDEAL"]; Cinque per Mille dell'IRPEF-Finanziamento della Ricerca Sanitaria; European Union Seventh Framework Programme (FP7) [278570]; AIRC [10216, 13837]; European Community's Seventh Framework Program FP7 [311876]; Canadian Institute for Health Research [MOP114962, MOP125857]; Fonds de Recherche Quebec Sante [22624]; Terry Fox Research Institute [1030]; FEDER; MICINN [SAF2012-32810]; Junta de Castilla y Leon [BIO/SA06/13]; ARIMMORA project [FP7-ENV-2011]; European Union; NIH NIDDK [K01DK077137, R03DK089130]; NIH NCI grants [R01CA131294, R21 CA155686]; Avon Foundation; Breast Cancer Research Foundation Grant [90047965]; National Institute of Health, NINDS Grant [K08NS083732]; AACR-National Brain Tumor Society Career Development Award for Translational Brain Tumor Research [13-20-23-SIEG]; Department of Science and Technology, New Delhi, India [SR/FT/LS-063/2008]; Yorkshire Cancer Research; Wellcome Trust, UK; Italian Ministry of Economy and Finance Project CAMPUS-QUARC, within program FESR Campania Region; National Cancer Institute [5P01CA073992]; IDEA Award from the Department of Defense [W81XWH-12-1-0515]; Huntsman Cancer Foundation; University of Miami Clinical and Translational Science Institute (CTSI) Pilot Research Grant [CTSI-2013-P03]; SEEDS You Choose Awards; DoD [W81XVVH-11-1-0272, W81XWH-13-1-0182]; Kimmel Translational Science Award [SKF-13-021]; ACS Scholar award [122688-RSG-12-196-01-TBG]; National Cancer Institute, Pancreatic Cancer Action Network, Pew Charitable Trusts; American Diabetes Association; Elsa U. Pardee Foundation; Scientific Research Foundation for the Returned Oversea Scholars, State Education Ministry and Scientific and Technological Innovation Project, Harbin [2012RFLX5011]; United States National Institutes of Health [ES019458]; California Breast Cancer Research Program [17UB-8708]; National Institutes of Health through the RCMI-Center for Environmental Health [G1200MD007581]; NIH/National Heart, Lung, and Blood Institute Training Grant [T32HL098062]; European FP7-TuMIC [HEALTH-F2-2008-201662]; Italian Association for Cancer research (AIRC) Grant IG [11963]; Regione Campania L.R:N.5; European National Funds [PON01-02388/1 2007-2013] FX Amr Amin was funded by Terry Fox Foundation Grant # TF-13-20 and UAEU Program for Advanced Research (UPAR) #31S118; Jack Arbiser was funded by NIH AR47901; Alexandra Arreola was funded by NIH NRSA Grant F31CA154080; Alla Arzumanyan was funded by NIH (NIAID) R01: Combination therapies for chronic HBV, liver disease, and cancer (AI076535); Work in the lab of Asfar S. Azmi is supported by NIH R21CA188818 as well as from Sky Foundation Inc. Michigan; Fabian Benencia was supported by NIH Grant R15 CA137499-01; Alan Bilsland was supported by the University of Glasgow, Beatson Oncology Centre Fund, CRUK (www. cancerresearchuk.org) Grant C301/A14762; Amancio Carnero was supported by grants from the Spanish Ministry of Economy and Competitivity, ISCIII (Fis: PI12/00137, RTICC: RD12/0036/0028) co-funded by FEDER from Regional Development European Funds (European Union), Consejeria de Ciencia e Innovacion (CTS-6844 and CTS-1848) and Consejeria de Salud of the Junta de Andalucia (PI-0135-2010 and PI-0306-2012). His work on this project has also been made possible thanks to the Grant PIE13/0004 co-funded by the ISCIII and FEDER funds; Stephanie C. Casey was supported by NIH Grant F32CA177139; Mrinmay Chakrabarti was supported by the United Soybean Board; Rupesh Chaturvedi was supported by an NIH NCCAM Grant (K01AT007324); Georgia Zhuo Chen was supported by an NIH NCI Grant (R33 CA161873-02); Helen Chen acknowledges financial support from the Michael Cuccione Childhood Cancer Foundation Graduate Studentship; Sophie Chen acknowledges financial support from the Ovarian and Prostate Cancer Research Trust, UK; Yi Charlie Chen acknowledges financial support from the West Virginia Higher Education Policy Commission/Division of Science Research, his research was also supported by NIH grants (P20RR016477 and P20GM103434) from the National Institutes of Health awarded to the West Virginia IDeA Network of Biomedical Research Excellence; Maria Rosa Ciriolo was partially supported by the Italian Association for Cancer Research (AIRC) Grants #IG10636 and #15403; Helen M. Coley acknowledges financial support from the GRACE Charity, UK and the Breast Cancer Campaign, UK; Marisa Connell was supported by a Michael Cuccione Childhood Cancer Foundation Postdoctoral Fellowship; Sarah Crawford was supported by a research grant from Connecticut State University; Charlotta Dabrosin acknowledges financial support from the Swedish Research Council and the Swedish Research Society; Giovanna Damia gratefully acknowledges the generous contributions of The Italian Association for Cancer Research (IG14536 to G.D.); Santanu Dasgupta gratefully acknowledges the support of the University of Texas Health Science Centre at Tyler, Elsa U. Pardee Foundation; William K. Decker was supported in part by CPRIT, the Cancer Prevention and Research Institute of Texas; Anna Mae E. Diehl was supported by NIH National Institute of Diabetes and Digestive and Kidney Diseases (NIDDK), the NIH National Institute on Alcohol Abuse and Alcoholism (NIAAA), Gilead and Shire Pharmaceuticals; Q. Ping Dou was partially supported by NIH/NCI (1R01CA20009, 5R01CAl27258-05 and R21CA184788), and NIH P30 CA22453 (to Karmanos Cancer Institute); Janice E.; Drew was supported by the Scottish Government's Rural and Environment Science and Analytical Services Division; Eyad Elkord thanks the National Research Foundation, United Arab Emirates University and the Terry Fox Foundation for supporting research projects in his lab; Bassel El-Rayes was supported by Novartis Pharmaceutical, Aveo Pharmaceutical, Roche, Bristol Myers Squibb, Bayer Pharmaceutical, Pfizer, and Kyowa Kirin; Mark A. Feitelson was supported by NIH/NIAID Grant A1076535; Dean W. Felsher was supported by NIH grants (R01CA170378, U54CA149145, and U54CA143907); Lynnette R Ferguson was financially supported by the Auckland Cancer Society and the Cancer Society of New Zealand; Gary L. Firestone was supported by NIH Public Service Grant CA164095 awarded from the National Cancer Institute; Christian Frezza "would like to acknowledge funding from a Medical Research Council CCU-Program Grant on cancer metabolism, and a unique applicant AICR project grant"; Mark M. Fuster was supported by NIH Grant R01-HL107652; Alexandros G. Georgakilas was supported by an EU Marie Curie Reintegration Grant MC-CIG-303514, Greek National funds through the Operational Program 'Educational and Lifelong Learning of the National Strategic Reference Framework (NSRF)-Research Funding Program THALES (Grant number MIS 379346) and COST Action CM1201 `Biomimetic Radical Chemistry'; Michelle F. Green was supported by a Duke University Molecular Cancer Biology T32 Training Grant; Brendan Grue was supported by a National Sciences Engineering and Research Council Undergraduate Student Research Award in Canada; Dorota Halicka was supported by by NIH NCI grant NCI RO1 28704; Petr Heneberg was supported by the Charles University in Prague projects UNCE 204015 and PRVOUK P31/2012, by the Czech Science Foundation projects 15-03834Y and P301/12/1686, by the Czech Health Research Council AZV project 15-32432A, and by the Internal Grant Agency of the Ministry of Health of the Czech Republic project NT13663-3/2012; Matthew D. Hirschey wishes to acknowledge Duke University Institutional Support, the Duke Pepper Older Americans Independence Center (OAIC) Program in Aging Research supported by the National Institute of Aging (P30AG028716-01) and NIH/NCI training grants to Duke University (T32-CA059365-19 and 5T32-CA059365); Lorne J. Hofseth was supported by NIH grants (1R01CA151304,1R03CA1711326, and 1P01AT003961); Kanya Honoki was supported in part by the grant from the Ministry of Education, Culture, Sports, Science and Technology, Japan (No. 24590493); Hsue-Yin Hsu was supported in part by grants from the Ministry of Health and Welfare (CCMP101-RD-031 and CCMP102-RD-112) and Tzu-Chi University (61040055-10) of Taiwan; Lasse D. Jensen was supported by Svenska Sallskapet for Medicinsk Forskning, Gosta Fraenkels Stiftelse, Ak.e Wibergs Stiftelse, kopings Universitet and the Karolinska Institute, Sweden; Wen G. Jiang wishes to ackOllie och Elof Ericssons Stiftelse, Linnowledge the support by Cancer Research Wales, the Albert Hung Foundation, the Fong Family Foundation, and Welsh Government A4B scheme; Lee W. Jones was supported in part by grants from the NIH NCI; W Nicol Keith was supported by the University of Glasgow, Beatson Oncology Centre Fund, CRUK (www. cancerresearchuk.org) Grant C301/A14762; Sid P. Kerkar was supported by the NIH Intramural Research Program; Rob J. Kulathinal was supported by the National Science Foundation, and the American Cancer Society; Byoung S.; Kwon was supported in part by National Cancer Center (NCC-1310430-2) and National Research Foundation (NRF-2005-0093837); Anne Le was supported by Sol Goldman Pancreatic Cancer Research Fund Grant 80028595, a Lustgarten Fund Grant 90049125 and Grant NIHR21CA169757 (to Anne Le); Michael A. Lea was funded by the The Alma Toorock Memorial for Cancer Research; Ho-Young Lee This work was supported by grants from the National Research Foundation of Korea (NRF), the Ministry of Science, ICT & Future Planning (MSIP), Republic of Korea (Nos. 2011-0017639 and 2011-0030001) and by a NIH Grant RO1 CA100816; Liang-Tzung Lin was supported in part by a grant from the Ministry of Education of Taiwan (TMUTOP103005-4); Jason W. Locasale acknowledges support from NIH awards (CA168997 and A1110613) and the International Life Sciences Institute; Bal L. Lokeshwar was supported in part by United States' Public Health Services Grants: NIH R01CA156776 and VA-BLR&D Merit Review Grant No. 5101-BX001517-02; Valter D. Longo acknowleages support from NIH awards (P01AG034906 and R01AG020642) and from the V Foundation; Costas A. Lyssiotis was funded in part by the Pancreatic Cancer Action Network as a Pathway to Leadership Fellow and through a Dale F. Frey Breakthrough award from the Damon Runyon Cancer Research Foundation; Karen L. MacKenzie wishes to acknowledge the support from the Children's Cancer Institute Australia (affiliated with the University of New South Wales, Australia and the Sydney Children's Hospital Network); Maria Marino was supported by grant from University Roma Tre to M.M. (CLA 2013) and by the Italian Association for Cancer Research (AIRC-Grant #IG15221); Ander Matheu is funded by Carlos III Health Institute and Feder funds (AM: CP10/00539, PI13/02277), Basque Foundation for Science (IKERBASQUE) and Marie Curie CIG Grant (AM: 2012/712404); Christopher Maxwell was supported by funding from the Canadian Institutes of Health Research, in partnership with the Avon Foundation for Women (OBC-134038) and the Canadian Institutes of Health Research New Investigator Salary Award (MSH-136647); Eoin McDonnell received Duke University Institutional Support; Kapil Mehta was supported by Bayer Healthcare System G4T (Grants4Targets); Gregory A. Michelotti received support from NIH NIDDK, NIH NIAAA, and Shire Pharmaceuticals; Vinayak Muralidhar was supported by the Harvard-MIT Health Sciences and Technology Research Assistantship Award; Elena Niccolai was supported by the Italian Ministry of University and the University of Italy; Virginia R. Parslow gratefully acknowledges the financial support of the Auckland Cancer Society Research Centre (ACSRC); Graham Pawelec was supported by the German Federal Ministry of Education and Research (Bundesministerium fur Bildung und Forschung, BMBF) Grant number 16SV5536K, and by the European Commission (FP7 259679 "IDEAL"); Peter L. Pedersen was supported by NIH Grant CA-10951; Brad Poore was supported by Sol Goldman Pancreatic Cancer Research Fund Grant 80028595, the Lustgarten Fund Grant 90049125, and Grant NIHR21CA169757 (to Anne Le); Satya Prakash was supported by a Canadian Institutes of Health Research Grant (MOP 64308); Lizzia Raffaghello was supported by an NIH Grant (P01AG034906-01A1) and Cinque per Mille dell'IRPEF-Finanziamento della Ricerca Sanitaria; Jeffrey C. Rathmell was supported by an NIH Grant (R01HL108006); Swapan K.; Ray was supported by the United Soybean Board; Domenico Ribatti received funding from the European Union Seventh Framework Programme (FP7/2007-2013) under Grant agreement no 278570; Luigi Ricciardiello was supported by the AIRC Investigator Grants 10216 and 13837, and the European Community's Seventh Framework Program FP7/2007-2013 under Grant agreement 311876; Francis Rodier acknowledges the support of the Canadian Institute for Health Research (FR: MOP114962, MOP125857), Fonds de Recherche Quebec Sante (FR: 22624), and the Terry Fox Research Institute (FR: 1030); Gian Luigi Russo contributed to this effort while participating in the Fulbright Research Scholar Program 2013-14; Isidro Sanchez-Garcia is partially supported by FEDER and by MICINN (SAF2012-32810), by NIH Grant (R01 CA109335-04A1), by Junta de Castilla y Leon (BIO/SA06/13) and by the ARIMMORA project (FP7-ENV-2011, European Union Seventh Framework Program). Isidro SanchezGarcia's lab is also a member of the EuroSyStem and the DECIDE Network funded by the European Union under the FP7 program; Andrew J. Sanders wishes to acknowledge the support by Cancer Research Wales, the Albert Hung Foundation, the Fong Family Foundation, and Welsh Government A4B scheme; Neeraj K. Saxena was supported by grant funding from NIH NIDDK (K01DK077137, R03DK089130); Dipali Sharma was partially funded by NIH NCI grants (R01CA131294, R21 CA155686), the Avon Foundation and a Breast Cancer Research Foundation Grant (90047965); Markus David Siegelin received funding from National Institute of Health, NINDS Grant K08NS083732, and the 2013 AACR-National Brain Tumor Society Career Development Award for Translational Brain Tumor Research, Grant Number 13-20-23-SIEG; Neetu Singh was supported by funds from the Department of Science and Technology (SR/FT/LS-063/2008), New Delhi, India; Carl Smythe was supported by Yorkshire Cancer Research and The Wellcome Trust, UK; Carmela Spagnuolo was supported by funding from Project C.I.S.I.A., act n. 191/2009 from the Italian Ministry of Economy and Finance Project CAMPUS-QUARC, within program FESR Campania Region 2007/2013, objectives 2.1, 2.2; Diana M. Stafforini was supported by grants from the National Cancer Institute (5P01CA073992), IDEA Award W81XWH-12-1-0515 from the Department of Defense, and by the Huntsman Cancer Foundation; John Stagg was supported by the Canadian Institutes of Health Research; Pochi R. Subbarayan was supported by the University of Miami Clinical and Translational Science Institute (CTSI) Pilot Research Grant (CTSI-2013-P03) and SEEDS You Choose Awards; Phuoc T. Tran was funded by the DoD (W81XVVH-11-1-0272 and W81XWH-13-1-0182), a Kimmel Translational Science Award (SKF-13-021), an ACS Scholar award (122688-RSG-12-196-01-TBG) and the NIH (R01CA166348); Kathryn E. Wellen receives funding from the National Cancer Institute, Pancreatic Cancer Action Network, Pew Charitable Trusts, American Diabetes Association, and Elsa U.; Pardee Foundation; Huanjie Yang was partially supported by the Scientific Research Foundation for the Returned Oversea Scholars, State Education Ministry and Scientific and Technological Innovation Project, Harbin (2012RFLX5011); Paul Yaswen was supported by funding from the United States National Institutes of Health (ES019458) and the California Breast Cancer Research Program (17UB-8708); Clement Yedjou was supported by a grant from the National Institutes of Health (Grant # G1200MD007581), through the RCMI-Center for Environmental Health; Xin Yin was supported by NIH/National Heart, Lung, and Blood Institute Training Grant T32HL098062.; Jiyue Zhu was supported by NIH Grant R01GM071725; Massimo Zollo was supported by the European FP7-TuMIC HEALTH-F2-2008-201662, the Italian Association for Cancer research (AIRC) Grant IG # 11963 and the Regione Campania L.R:N.5, the European National Funds PON01-02388/1 2007-2013. NR 261 TC 31 Z9 31 U1 10 U2 34 PU ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD PI LONDON PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND SN 1044-579X J9 SEMIN CANCER BIOL JI Semin. Cancer Biol. PD DEC PY 2015 VL 35 SU S BP S276 EP S304 DI 10.1016/j.semcancer.2015.09.007 PG 29 WC Oncology SC Oncology GA CY7WG UT WOS:000366619400013 PM 26590477 ER PT J AU Yaswen, P MacKenzie, KL Keith, WN Hentosh, P Rodier, F Zhu, JY Firestone, GL Matheu, A Carnero, A Bilsland, A Sundin, T Honoki, K Fujii, H Georgakilas, AG Amedei, A Amin, A Helferich, B Boosani, CS Guha, G Ciriolo, MR Chen, S Mohammed, SI Azmi, AS Bhakta, D Halicka, D Niccolai, E Aquilano, K Ashraf, SS Nowsheen, S Yang, XJ AF Yaswen, Paul MacKenzie, Karen L. Keith, W. Nicol Hentosh, Patricia Rodier, Francis Zhu, Jiyue Firestone, Gary L. Matheu, Ander Carnero, Amancio Bilsland, Alan Sundin, Tabetha Honoki, Kanya Fujii, Hiromasa Georgakilas, Alexandros G. Amedei, Amedeo Amin, Amr Helferich, Bill Boosani, Chandra S. Guha, Gunjan Ciriolo, Maria Rosa Chen, Sophie Mohammed, Sulma I. Azmi, Asfar S. Bhakta, Dipita Halicka, Dorota Niccolai, Elena Aquilano, Katia Ashraf, S. Salman Nowsheen, Somaira Yang, Xujuan TI Therapeutic targeting of replicative immortality SO SEMINARS IN CANCER BIOLOGY LA English DT Review DE Senescence; Telomerase; Oncogenic stress; p53; pRB ID TELOMERASE-REVERSE-TRANSCRIPTASE; PROSTATE-CANCER CELLS; ONCOGENE-INDUCED SENESCENCE; DNA-DAMAGE RESPONSE; CHRONIC LYMPHOCYTIC-LEUKEMIA; DEPENDENT KINASE INHIBITOR; HUMAN BREAST-CANCER; MAMMARY EPITHELIAL-CELLS; NORMAL HUMAN FIBROBLASTS; NF-KAPPA-B AB One of the hallmarks of malignant cell populations is the ability to undergo continuous proliferation. This property allows clonal lineages to acquire sequential aberrations that can fuel increasingly autonomous growth, invasiveness, and therapeutic resistance. Innate cellular mechanisms have evolved to regulate replicative potential as a hedge against malignant progression. When activated in the absence of normal terminal differentiation cues, these mechanisms can result in a state of persistent cytostasis. This state, termed "senescence," can be triggered by intrinsic cellular processes such as telomere dysfunction and oncogene expression, and by exogenous factors such as DNA damaging agents or oxidative environments. Despite differences in upstream signaling, senescence often involves convergent interdependent activation of tumor suppressors p53 and p16/pRB, but can be induced, albeit with reduced sensitivity, when these suppressors are compromised. Doses of conventional genotoxic drugs required to achieve cancer cell senescence are often much lower than doses required to achieve outright cell death. Additional therapies, such as those targeting cyclin dependent kinases or components of the PI3K signaling pathway, may induce senescence specifically in cancer cells by circumventing defects in tumor suppressor pathways or exploiting cancer cells' heightened requirements for telomerase. Such treatments sufficient to induce cancer cell senescence could provide increased patient survival with fewer and less severe side effects than conventional cytotoxic regimens. This positive aspect is countered by important caveats regarding senescence reversibility, genomic instability, and paracrine effects that may increase heterogeneity and adaptive resistance of surviving cancer cells. Nevertheless, agents that effectively disrupt replicative immortality will likely be valuable components of new combinatorial approaches to cancer therapy. (C) 2015 The Authors. Published by Elsevier Ltd. C1 [Yaswen, Paul] Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. [MacKenzie, Karen L.] Childrens Canc Inst Australia, Kensington, NSW, Australia. [Keith, W. Nicol; Bilsland, Alan] Univ Glasgow, Glasgow, Lanark, Scotland. [Hentosh, Patricia] Old Dominion Univ, Norfolk, VA USA. [Rodier, Francis] Univ Montreal, Montreal, PQ, Canada. [Zhu, Jiyue] Washington State Univ, Coll Pharm, Pullman, WA 99164 USA. [Firestone, Gary L.] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Matheu, Ander] Biodonostia Inst, Gipuzkoa, Spain. [Carnero, Amancio] Univ Seville, Consejo Super Invest Cient, HUVR, Inst Biomed Sevilla, Seville, Spain. [Sundin, Tabetha] Sentara Healthcare, Norfolk, VA USA. [Honoki, Kanya; Fujii, Hiromasa] Nara Med Univ, Kashihara, Nara 634, Japan. [Georgakilas, Alexandros G.] Natl Tech Univ Athens, Athens, Greece. [Amedei, Amedeo; Niccolai, Elena] Univ Florence, Florence, Italy. [Amin, Amr; Ashraf, S. Salman] United Arab Emirates Univ, Al Ain, U Arab Emirates. [Amin, Amr; Ashraf, S. Salman] Cairo Univ, Cairo, Egypt. [Helferich, Bill; Yang, Xujuan] Univ Illinois, Champaign, IL 61820 USA. [Boosani, Chandra S.] Creighton Univ, Omaha, NE 68178 USA. [Guha, Gunjan; Bhakta, Dipita] SASTRA Univ, Thanjavur, Tamil Nadu, India. [Ciriolo, Maria Rosa; Aquilano, Katia] Univ Roma Tor Vergata, Rome, Italy. [Chen, Sophie] Ovarian & Prostate Canc Res Trust, Guildford, Surrey, England. [Mohammed, Sulma I.] Purdue Univ, W Lafayette, IN 47907 USA. [Azmi, Asfar S.] Wayne State Univ, Karmanos Canc Inst, Detroit, MI USA. [Halicka, Dorota] New York Med Coll, Valhalla, NY 10595 USA. [Nowsheen, Somaira] Mayo Clin, Rochester, MN USA. RP Yaswen, P (reprint author), Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM p_yaswen@lbl.gov; k.mackenzie@unsw.edu.au; nicol.keith@glasgow.ac.uk; hentoshp@hotmail.com; rodierf@mac.com; jiyue.zhu@wsu.edu; glfire@berkeley.edu; ander.matheu@biodonostia.org; acarnero@us.es; Alan.Bilsland@glasgow.ac.uk; trsundin@sentara.com RI AQUILANO, KATIA/K-8888-2016; Bhakta-Guha, Dipita/E-8076-2012; Mackenzie, Karen/F-1310-2011; IBIS, CANCER/P-3323-2015; Keith, Nicol/D-3325-2009; niccolai, elena/K-6091-2016; Ciriolo, Maria /K-6572-2016 OI AQUILANO, KATIA/0000-0002-5905-9870; Bhakta-Guha, Dipita/0000-0002-7144-3947; Bilsland, Alan/0000-0003-0957-3908; Keith, Nicol/0000-0001-7862-3580; niccolai, elena/0000-0002-9205-8079; FU United States National Institutes of Health [ES019458, CA164095, GM071725]; California Breast Cancer Research Program [17UB-8708]; Cancer Research UK [C301/A14762]; University of Glasgow; Canadian Institute for Health Research [MOP114962]; Fonds de Recherche Quebec Sante [22624]; W.W. Smith Charitable Trust; Carlos III Health Institute [CP10/00539]; Basque Foundation for Science (IKERBASQUE); Spanish Ministry of Economy and Competitivity, ISCIII [PI12/00137, RD12/0036/0028]; Regional Development European Funds; Consejeria de Ciencia e Innovacion [CTS-1848]; Consejeria de Salud of the Junta de Andalucia [PI-0306-2012]; EU [MC-CIG-303514]; Greek National funds [MIS 379346]; COST Action grant [CM1201]; Italian Ministry of University; Japan Ministry of Education Culture Sports Science and Technology [24590493]; Italian Ministry of Education Universities and Research grant [MIUR-PRIN 20125S38FA_002]; Italian Ministry of Health [GR-2011-02348047]; Italian Association for Cancer Research; Ovarian and Prostate Cancer Research Trust in the United Kingdom; Terry Fox Foundation; Zayed Center for Health Sciences; Al-Jalila Foundation; University of Italy; Marie Curie CIG grant [2012/712404] FX The authors thank members of Getting to Know Cancer for insightful discussion. Funding was provided by the United States National Institutes of Health (PY: ES019458, GF: CA164095, JZ: GM071725), California Breast Cancer Research Program (PY: 17UB-8708), Cancer Research UK (WNK: C301/A14762), University of Glasgow (WNK), Canadian Institute for Health Research (FR: MOP114962), Fonds de Recherche Quebec Sante (FR: 22624), W.W. Smith Charitable Trust (JZ), Carlos III Health Institute (AM: CP10/00539), Basque Foundation for Science (IKERBASQUE) and Marie Curie CIG grant (AM: 2012/712404), the Spanish Ministry of Economy and Competitivity, ISCIII (AC: PI12/00137, RTICC: RD12/0036/0028), Regional Development European Funds (AC), Consejeria de Ciencia e Innovacion (AC: CTS-1848), and Consejeria de Salud of the Junta de Andalucia (AC: PI-0306-2012). Children's Cancer Institute Australia is affiliated with the University of New South Wales and Sydney Children's Hospital Network (KM).; Funding for the cross-validation team was provided by EU Marie Curie Reintegration grant MC-CIG-303514 (AGG), Greek National funds grant MIS 379346 (AGG), COST Action grant CM1201 (AGG), Italian Ministry of University and the University of Italy (AA, EN), Japan Ministry of Education Culture Sports Science and Technology grant 24590493 (KH), Italian Ministry of Education Universities and Research grant MIUR-PRIN 20125S38FA_002 (KA), Italian Ministry of Health grant GR-2011-02348047 (KA), Italian Association for Cancer Research (MRC), Ovarian and Prostate Cancer Research Trust in the United Kingdom (SC), Terry Fox Foundation (AA), Zayed Center for Health Sciences (AA), and Al-Jalila Foundation (AA). NR 567 TC 9 Z9 9 U1 4 U2 23 PU ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD PI LONDON PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND SN 1044-579X J9 SEMIN CANCER BIOL JI Semin. Cancer Biol. PD DEC PY 2015 VL 35 SU S BP S104 EP S128 DI 10.1016/j.semcancer.2015.03.007 PG 25 WC Oncology SC Oncology GA CY7WG UT WOS:000366619400006 PM 25869441 ER PT J AU Hill, KK Xie, G Foley, BT Smith, TJ AF Hill, K. K. Xie, G. Foley, B. T. Smith, T. J. TI Genetic diversity within the botulinum neurotoxin-producing bacteria and their neurotoxins SO TOXICON LA English DT Article; Proceedings Paper CT TOXINS 2015 Basic Science and Clinical Aspects of Botulinum and Other Neurotoxins CY JAN 14-17, 2015 CL Lisbon, PORTUGAL SP Intl Neurotoxin Assoc (INA) DE Genetic diversity; Botulinum neurotoxin; Clostridium botulinum ID II CLOSTRIDIUM-BOTULINUM; C-NEUROTOXIN; E STRAINS; CLUSTER; ORGANIZATION; SEQUENCES; COMPLEX AB The recent availability of multiple Clostridium botulinum genomic sequences has initiated a new genomics era that strengthens our understanding of the bacterial species that produce botulinum neurotoxins (BoNTs). Analysis of the genomes has reinforced the historical Group I-VI designations and provided evidence that the bont genes can be located within the chromosome, phage or plasmids. The sequences provide the opportunity to examine closely the variation among the toxin genes, the composition and organization of the toxin complex, the regions flanking the toxin complex and the location of the toxin within different bacterial strains. These comparisons provide evidence of horizontal gene transfer and site-specific insertion and recombination events that have contributed to the variation observed among the neurotoxins. Here, examples that have contributed to the variation observed in serotypes A-H strains are presented to illustrate the mechanisms that have contributed to their variation. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Hill, K. K.; Xie, G.] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. [Foley, B. T.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Smith, T. J.] US Army, Med Res Inst Infect Dis, Mol & Translat Sci Div, Ft Detrick, MD 21702 USA. RP Hill, KK (reprint author), Los Alamos Natl Lab, Biosci Div, MS M88, Los Alamos, NM 87545 USA. EM khill@lanl.gov OI Foley, Brian/0000-0002-1086-0296; xie, gary/0000-0002-9176-924X FU NIH/NIAID [U01 AI056493] FX This research was partially funded by a grant from NIH/NIAID U01 AI056493. The opinions, interpretations, conclusions, and recommendations are those of the authors and are not necessarily endorsed by the U.S. Army. NR 31 TC 8 Z9 8 U1 2 U2 11 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0041-0101 J9 TOXICON JI Toxicon PD DEC 1 PY 2015 VL 107 SI SI BP 2 EP 8 DI 10.1016/j.toxicon.2015.09.011 PN A PG 7 WC Pharmacology & Pharmacy; Toxicology SC Pharmacology & Pharmacy; Toxicology GA CY6SP UT WOS:000366539400002 PM 26368006 ER PT J AU Lee, K Lam, KH Kruel, AM Mahrhold, S Perry, K Cheng, LW Rummel, A Jin, RS AF Lee, Kwangkook Lam, Kwok-Ho Kruel, Anna-Magdalena Mahrhold, Stefan Perry, Kay Cheng, Luisa W. Rummel, Andreas Jin, Rongsheng TI Inhibiting oral intoxication of botulinum neurotoxin A complex by carbohydrate receptor mimics SO TOXICON LA English DT Article; Proceedings Paper CT TOXINS 2015 Basic Science and Clinical Aspects of Botulinum and Other Neurotoxins CY JAN 14-17, 2015 CL Lisbon, PORTUGAL SP Intl Neurotoxin Assoc (INA) DE Botulinum neurotoxin; Hemagglutinin; Progenitor toxin complex; Lactulose; Carbohydrate receptor; Inhibitor ID PROGENITOR TOXIN COMPLEX; CRYSTAL-STRUCTURE; E-CADHERIN; BINDING; PURIFICATION; TOXICITIES; AGENTS; CELLS; HOST AB Botulinum neurotoxins (BoNTs) cause the disease botulism manifested by flaccid paralysis that could be fatal to humans and animals. Oral ingestion of the toxin with contaminated food is one of the most common routes for botulism. BoNT assembles with several auxiliary proteins to survive in the gastrointestinal tract and is subsequently transported through the intestinal epithelium into the general circulation. Several hemagglutinin proteins form a multi-protein complex (HA complex) that recognizes host glycans on the intestinal epithelial cell surface to facilitate BoNT absorption. Blocking carbohydrate binding to the HA complex could significantly inhibit the oral toxicity of BoNT. Here, we identify lactulose, a galactose-containing non-digestible sugar commonly used to treat constipation, as a prototype inhibitor against oral BoNT/A intoxication. As revealed by a crystal structure, lactulose binds to the HA complex at the same site where the host galactose-containing carbohydrate receptors bind. In vitro assays using intestinal Caco-2 cells demonstrated that lactulose inhibits HA from compromising the integrity of the epithelial cell monolayers and blocks the internalization of HA. Furthermore, co-administration of lactulose significantly protected mice against BoNT/A oral intoxication in vivo. Taken together, these data encourage the development of carbohydrate receptor mimics as a therapeutic intervention to prevent BoNT oral intoxication. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Lee, Kwangkook; Lam, Kwok-Ho; Jin, Rongsheng] Univ Calif Irvine, Dept Physiol & Biophys, Irvine, CA 92697 USA. [Kruel, Anna-Magdalena; Mahrhold, Stefan; Rummel, Andreas] Hannover Med Sch, Inst Toxikol, D-30623 Hannover, Germany. [Perry, Kay] Cornell Univ, Argonne Natl Lab, NE CAT, Argonne, IL 60439 USA. [Perry, Kay] Cornell Univ, Argonne Natl Lab, Dept Chem & Chem Biol, Argonne, IL 60439 USA. [Cheng, Luisa W.] ARS, Foodbome Toxin Detect & Prevent Res Unit, Western Reg Res Ctr, USDA, Albany, CA 94710 USA. RP Rummel, A (reprint author), Hannover Med Sch, Inst Toxikol, D-30623 Hannover, Germany. EM rummel.andreas@mh-hannover.de; r.jin@uci.edu OI Jin, Rongsheng/0000-0003-0348-7363 FU National Institute of Allergy and Infectious Diseases (NIAID) [R01AI091823]; Swiss Federal Office for Civil Protection BABS [353003325]; United States Department of Agriculture, Agricultural Research Service, National Program project [NP108, CRIS 5325-42000-048-00D]; National Institute of General Medical Sciences [P41 GM103403]; U.S. DOE [DE-AC02-06CH11357] FX This work was partly supported by National Institute of Allergy and Infectious Diseases (NIAID) grant R01AI091823 to R.J. and by the Swiss Federal Office for Civil Protection BABS #353003325 to A.R.; L.W.C. was funded by the United States Department of Agriculture, Agricultural Research Service, National Program project NP108, CRIS 5325-42000-048-00D. NECAT at the Advanced Photon Source (APS) is supported by a grant from the National Institute of General Medical Sciences (P41 GM103403). Use of the APS, 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 atomic coordinates and structure factors of the HA17-HA33-lactulose and HA17-HA33-IPTG complexes have been deposited in the Protein Data Bank under the accession codes 5BQU and 5BP5, respectively. NR 37 TC 3 Z9 3 U1 1 U2 3 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0041-0101 J9 TOXICON JI Toxicon PD DEC 1 PY 2015 VL 107 SI SI BP 43 EP 49 DI 10.1016/j.toxicon.2015.08.003 PN A PG 7 WC Pharmacology & Pharmacy; Toxicology SC Pharmacology & Pharmacy; Toxicology GA CY6SP UT WOS:000366539400007 PM 26272706 ER PT J AU Michaletz, ST Weiser, MD Zhou, JZ Kaspari, M Helliker, BR Enquist, BJ AF Michaletz, Sean T. Weiser, Michael D. Zhou, Jizhong Kaspari, Michael Helliker, Brent R. Enquist, Brian J. TI Plant Thermoregulation: Energetics, Trait-Environment Interactions, and Carbon Economics SO TRENDS IN ECOLOGY & EVOLUTION LA English DT Article ID REBUILDING COMMUNITY ECOLOGY; GENERAL QUANTITATIVE THEORY; CONSTANT LEAF TEMPERATURE; DRY-MATTER CONTENT; FUNCTIONAL TRAITS; FOREST-FIRES; PRIMARY PRODUCTIVITY; LIMITED HOMEOTHERMY; ISOTOPE RATIOS; HEAT-TRANSFER AB Building a more predictive trait-based ecology requires mechanistic theory based on first principles. We present a general theoretical approach to link traits and climate. We use plant leaves to show how energy budgets (i) provide a foundation for understanding thermoregulation, (ii) explain mechanisms driving trait variation across environmental gradients, and (iii) guide selection on functional traits via carbon economics. Although plants are often considered to be poikilotherms, the data suggest that they are instead limited homeotherms. Leaf functional traits that promote limited homeothermy are adaptive because homeothermy maximizes instantaneous and lifetime carbon gain. This theory provides a process-based foundation for trait-climate analyses and shows that future studies should consider plant (not only air) temperatures. C1 [Michaletz, Sean T.; Enquist, Brian J.] Univ Arizona, Dept Ecol & Evolutionary Biol, Tucson, AZ 85721 USA. [Michaletz, Sean T.] Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA. [Weiser, Michael D.; Kaspari, Michael] Univ Oklahoma, Dept Biol, EEB Grad Program, Norman, OK 73069 USA. [Zhou, Jizhong] Univ Oklahoma, Inst Environm Genom, Norman, OK 73019 USA. [Zhou, Jizhong] Univ Oklahoma, Dept Microbiol & Plant Biol, Norman, OK 73019 USA. [Zhou, Jizhong] Tsinghua Univ, Sch Environm, State Key Lab Environm Simulat & Pollut Control, Beijing 100084, Peoples R China. [Zhou, Jizhong] Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94270 USA. [Kaspari, Michael] Smithsonian Trop Res Inst, Balboa, Panama. [Helliker, Brent R.] Univ Penn, Dept Biol, Philadelphia, PA 19104 USA. [Enquist, Brian J.] Santa Fe Inst, Santa Fe, NM 87501 USA. [Enquist, Brian J.] IPlant Collaborat, Tucson, AZ 85721 USA. [Enquist, Brian J.] Aspen Ctr Environm Studies, Aspen, CO 81611 USA. RP Michaletz, ST (reprint author), Univ Arizona, Dept Ecol & Evolutionary Biol, Tucson, AZ 85721 USA. EM michaletz@lanl.gov OI Michaletz, Sean/0000-0003-2158-6525; Kaspari, Michael/0000-0002-9717-5768; Enquist, Brian/0000-0002-6124-7096 FU National Science Foundation (NSF) Macro Systems award [1065861]; Aspen Center for Environmental Studies; Director's Fellowship from the Los Alamos National Laboratory; NSF [IOS-0950998]; NSF MacroSystems [1241873] FX The authors are grateful to Paul Craze and two anonymous reviewers for their constructive comments on an earlier version of the paper. S.T.M., B.J.E., M.K., and M.D.W. were supported by an National Science Foundation (NSF) Macro Systems award (1065861). S.T.M. and B.J.E. were supported by a fellowship from the Aspen Center for Environmental Studies. S.T.M. was supported by a Director's Fellowship from the Los Alamos National Laboratory. B.R.H. was supported under NSF awards IOS-0950998 and NSF MacroSystems 1241873. NR 99 TC 4 Z9 4 U1 8 U2 42 PU ELSEVIER SCIENCE LONDON PI LONDON PA 84 THEOBALDS RD, LONDON WC1X 8RR, ENGLAND SN 0169-5347 J9 TRENDS ECOL EVOL JI Trends Ecol. Evol. PD DEC PY 2015 VL 30 IS 12 BP 714 EP 724 DI 10.1016/j.tree.2015.09.006 PG 11 WC Ecology; Evolutionary Biology; Genetics & Heredity SC Environmental Sciences & Ecology; Evolutionary Biology; Genetics & Heredity GA CZ0IC UT WOS:000366787400002 PM 26476814 ER PT J AU Kobayashi, T Perras, FA Slowing, II Sadow, AD Pruski, M AF Kobayashi, Takeshi Perras, Frederic A. Slowing, Igor I. Sadow, Aaron D. Pruski, Marek TI Dynamic Nuclear Polarization Solid-State NMR in Heterogeneous Catalysis Research SO ACS CATALYSIS LA English DT Editorial Material ID METAL-ORGANIC FRAMEWORKS; C-13-C-13 CORRELATION SPECTROSCOPY; NATURAL ISOTOPIC ABUNDANCE; ENHANCED NMR; SENSITIVITY ENHANCEMENT; NITROXIDE BIRADICALS; QUADRUPOLAR NUCLEI; HIGH-FREQUENCY; SURFACE; O-17 C1 [Kobayashi, Takeshi; Perras, Frederic A.; Slowing, Igor I.; Sadow, Aaron D.; Pruski, Marek] US DOE, Ames Lab, Ames, IA 50011 USA. [Slowing, Igor I.; Sadow, Aaron D.; Pruski, Marek] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. RP Pruski, M (reprint author), US DOE, Ames Lab, Ames, IA 50011 USA. EM mpruski@iastate.edu OI Slowing, Igor/0000-0002-9319-8639 NR 70 TC 20 Z9 20 U1 12 U2 58 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2155-5435 J9 ACS CATAL JI ACS Catal. PD DEC PY 2015 VL 5 IS 12 BP 7055 EP 7062 DI 10.1021/acscatal.5b02039 PG 8 WC Chemistry, Physical SC Chemistry GA CY1FY UT WOS:000366153300002 ER PT J AU You, B Jiang, N Sheng, ML Drisdell, WS Yano, J Sun, YJ AF You, Bo Jiang, Nan Sheng, Meili Drisdell, Walter S. Yano, Junko Sun, Yujie TI Bimetal-Organic Framework Self-Adjusted Synthesis of Support-Free Nonprecious Electrocatalysts for Efficient Oxygen Reduction SO ACS CATALYSIS LA English DT Article DE oxygen reduction; electrocatalyst; metal-organic framework; self-adjusted; nonprecious ID METAL-FREE ELECTROCATALYSTS; HIGH-SURFACE-AREA; HIGHLY EFFICIENT; FUEL-CELLS; NANOPOROUS CARBONS; ONE-POT; NITROGEN; CATALYST; GRAPHENE; PERFORMANCE AB The development of low-cost catalysts with oxygen reduction reaction (ORR) activity superior to that of Pt for fuel cells is highly desirable but remains challenging. Herein, we report a bimetal-organic framework (bi-MOF) self-adjusted synthesis of support-free porous Co-N-C nanopolyhedron electrocatalysts by pyrolysis of a Zn/Co bi-MOF without any post-treatments. The presence of initial Zn forms a spatial isolation of Co that suppresses its sintering during pyrolysis, and Zn evaporation also promotes the surface area of the resultant catalysts. The composition, morphology, and hence ORR activity of Co-N-C could be tuned by the Zn/Co ratio. The optimal Co-N-C exhibited remarkable ORR activity with a half-wave potential of 0.871 V versus the reversible hydrogen electrode (RHE) (30 mV more positive than that of commercial 20 wt % Pt/C) and a kinetic current density of 39.3 mA cm(-2) at 0.80 V versus RHE (3.1 times that of Pt/C) in 0.1 M KOH, and excellent stability and methanol tolerance. It also demonstrated ORR activity comparable to and stability much higher than those of Pt/C in acidic and neutral electrolytes. Various characterization techniques, including X-ray absorption spectroscopy, revealed that the superior activity and strong stability of Co-N-C originated from the intense interaction between Co and N, the high content of ORR active pyridinic and pyrrolic N, and the large specific surface area. C1 [You, Bo; Jiang, Nan; Sheng, Meili; Sun, Yujie] Utah State Univ, Dept Chem & Biochem, Logan, UT 84322 USA. [Drisdell, Walter S.; Yano, Junko] Joint Ctr Artificial Photosynth, Berkeley, CA 94720 USA. [Yano, Junko] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Sun, YJ (reprint author), Utah State Univ, Dept Chem & Biochem, 0300 Old Main Hill, Logan, UT 84322 USA. EM yujie.sun@usu.edu RI You, Bo/M-2631-2014 OI You, Bo/0000-0003-1849-0418 FU Utah State University; Microscopy Core Facility at Utah State University; Governor's Energy Leadership Scholars Grant of Utah Energy Research Triangle; Joint Center for Artificial Photosynthesis, a DOE Energy Innovation Hub; Office of Science of the U.S. Department of Energy, Berkeley [DE-SC0004993]; Advanced Light Source, Berkeley [DE-AC02-05CH11231, BL 6.3.1 and 10.3.2] FX This work was supported financially by Utah State University. Y.S. acknowledges the support from the Microscopy Core Facility at Utah State University for some of the SEM work. N.J. acknowledges the Governor's Energy Leadership Scholars Grant of the Utah Energy Research Triangle. XAS experiments were supported 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, and performed at the Advanced Light Source (BL 6.3.1 and 10.3.2), Berkeley, under Contract DE-AC02-05CH11231. NR 49 TC 33 Z9 33 U1 72 U2 245 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2155-5435 J9 ACS CATAL JI ACS Catal. PD DEC PY 2015 VL 5 IS 12 BP 7068 EP 7076 DI 10.1021/acscatal.5b02325 PG 9 WC Chemistry, Physical SC Chemistry GA CY1FY UT WOS:000366153300004 ER PT J AU Khan, S Yang, KR Ertem, MZ Batista, VS Brudvig, GW AF Khan, Sahr Yang, Ke R. Ertem, Mehmed Z. Batista, Victor S. Brudvig, Gary W. TI Mechanism of Manganese-Catalyzed Oxygen Evolution from Experimental and Theoretical Analyses of O-18 Kinetic Isotope Effects SO ACS CATALYSIS LA English DT Article DE density functional theory; manganese complex; oxygen evolution mechanism; oxygen isotope effects; peroxymonosulfate ID O BOND FORMATION; PHOTOSYNTHETIC WATER OXIDATION; MOLECULAR-ORBITAL METHODS; PHOTOSYSTEM-II; ARTIFICIAL PHOTOSYNTHESIS; EVOLVING COMPLEX; DIMANGANESE COMPLEX; MASS-SPECTROMETRY; 1ST-ROW ELEMENTS; SYNTHETIC MODEL AB The biomimetic oxomanganese complex [Mn-2(III/IV) mu-O-2)(terpy)(2)(OH2)(2)](NO3)(3) (1; terpy = 2,2':6',2"-terpyridine) catalyzes O-2 evolution from water when activated by oxidants, such as ozone (21Cl-ISO5. KI-ISO4.K2SO4). The mechanism of this reaction has never been characterized, due to the fleeting nature of the intermediates. In the present study, we elucidate the underlying reaction mechanism through experimental and theoretical analyses of competitive kinetic oxygen isotope effects (KIEs) during catalytic turnover conditions. The experimental 180 KIE is a sensitive probe of the highest transition state in the O-2-evolution mechanism and provides a strict constraint for calculated mechanisms. The 180 kinetic isotope effect of 1.013 +/- 0.003 measured using natural abundance reactants is consistent with the calculated isotope effect of peroxymonosulfate binding to the complex, as described by density functional theory (DFT). This provides strong evidence for peroxymonosulfate binding being both the first irreversible and rate-determining step during turnover, in contrast to the previously held assumption that formation of a high-valent Mn-oxo/oxyl species is the highest barrier step that controls the rate of O-2 evolution by this complex. The comparison of the measured and calculated KIEs supplements previous kinetic studies, enabling us to describe the complete mechanism of O-2 evolution, starting from when the oxidant first binds to the manganese complex to when O-2 is released. The reported findings lay the groundwork for understanding O-2 evolution catalyzed by other biomimetic oxomanganese complexes, with features common to those of the O-2-evolving complex of photosystem H, providing experimental and theoretical diagnostics of oxygen isotope effects that could reveal the nature of elusive reaction intermediates. C1 [Khan, Sahr; Yang, Ke R.; Ertem, Mehmed Z.; Batista, Victor S.; Brudvig, Gary W.] Yale Univ, Dept Chem, New Haven, CT 06520 USA. [Ertem, Mehmed Z.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Batista, VS (reprint author), Yale Univ, Dept Chem, 225 Prospect St, New Haven, CT 06520 USA. EM victor.batista@yale.edu; gary.brudvig@yale.edu FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences [DE-FG02-05ER15646, DE-SC0001423]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC00112704] FX The authors thank Dr. Glendon B. Hunsinger and Professor Zhengrong Wang for their immense help with mass spectrometry, Daryl Smith and Rosario Bernardo for the vacuum line construction, and Professors Hagit P. Affeck, Justine P. Roth, and Alfredo M. Angeles-Boza and Drs. Rhitankar Pal, Ivan Rivalta, and C. Moyses Araujo for helpful discussions. The experimental 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, grant DE-FG02-05ER15646 (G.W.B. and S.K.). V.S.B. acknowledges supercomputer time from the NESRC and financial support from the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences, under Grant DE-SC0001423. The work at BNL (M.Z.E.) was carried out under contract DE-SC00112704 with the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. NR 86 TC 9 Z9 9 U1 18 U2 75 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2155-5435 J9 ACS CATAL JI ACS Catal. PD DEC PY 2015 VL 5 IS 12 BP 7104 EP 7113 DI 10.1021/acscatal.5b01976 PG 10 WC Chemistry, Physical SC Chemistry GA CY1FY UT WOS:000366153300009 ER PT J AU Vajda, S White, MG AF Vajda, Stefan White, Michael G. TI Catalysis Applications of Size-Selected Cluster Deposition SO ACS CATALYSIS LA English DT Article DE size-selected; cluster deposition; heterogeneous catalysis; transition metal; metal oxide; molybdenum sulfide; work function ID GAS SHIFT REACTION; SCANNING-TUNNELING-MICROSCOPY; NANOASSEMBLED MODEL CATALYSTS; SUBNANOMETER COBALT CLUSTERS; DIRECT PROPYLENE EPOXIDATION; ATOMIC-SCALE INSIGHT; ION-BEAM DEPOSITION; MASS-SELECTED IONS; IN-SITU GISAXS; ELECTRONIC-STRUCTURE AB In this Perspective, we review recent studies of size-selected cluster deposition for catalysis applications performed at the U.S. DOE National Laboratories, with emphasis on work at Argonne National Laboratory (ANL) and Brookhaven National Laboratory (BNL). The focus is on the preparation of model supported catalysts in which the number of atoms in the deposited clusters is precisely controlled using a combination of gas-phase cluster ion sources, mass spectrometry, and soft-landing techniques. This approach is particularly effective for investigations of small nanoclusters, 0.5-2 nm (<200 atoms), where the rapid evolution of the atomic and electronic structure makes it essential to have precise control over cluster size. Cluster deposition allows for independent control of cluster size, coverage, and stoichiometry (e.g., the metal-to-oxygen ratio in an oxide cluster) and can be used to deposit on any substrate without constraints of nucleation and growth. Examples are presented for metal, metal oxide, and metal sulfide cluster deposition on a variety of supports (metals, oxides, carbon/diamond) where the reactivity, cluster support electronic interactions, and cluster stability and morphology are investigated. Both UHV and in situ/operando studies are presented that also make use of surface-sensitive X-ray characterization tools from synchrotron radiation facilities. Novel applications of cluster deposition to electrochemistry and batteries are also presented. This review also highlights the application of modern ab initio electronic structure calculations (density functional theory), which can essentially model the exact experimental system used in the laboratory (i.e., cluster and support) to provide insight on atomic and electronic structure, reaction energetics, and mechanisms. As amply demonstrated in this review, the powerful combination of atomically precise cluster deposition and theory is able to address fundamental aspects of size-effects, cluster support interactions, and reaction mechanisms of cluster materials that are central to how catalysts function. The insight gained from such studies can be used to further the development of novel nanostructured catalysts with high activity and selectivity. C1 [Vajda, Stefan] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Vajda, Stefan] Argonne Natl Lab, Nanosci & Technol Div, Argonne, IL 60439 USA. [Vajda, Stefan] Univ Chicago, Inst Mol Engn, Chicago, IL 60637 USA. [Vajda, Stefan] Yale Univ, Dept Chem & Environm Engn, New Haven, CT 06520 USA. [White, Michael G.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [White, Michael G.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. RP White, MG (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. EM mgwhite@bnl.gov FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0012704]; U.S. Department of Energy, BES-Materials Science and Engineering [DE-AC-02-06CH11357]; UChicago Argonne, LLC FX The work performed by M.G.W. at 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. The accompanying DFT calculations were performed using computational resources at the Center for Functional Nanomaterials which is a DOE Office of Science User Facility located at Brookhaven National Laboratory. S.V. acknowledges the support by the U.S. Department of Energy, BES-Materials Science and Engineering, under Contract DE-AC-02-06CH11357, with UChicago Argonne, LLC, the operator of Argonne National Laboratory. NR 225 TC 18 Z9 18 U1 45 U2 144 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2155-5435 J9 ACS CATAL JI ACS Catal. PD DEC PY 2015 VL 5 IS 12 BP 7152 EP 7176 DI 10.1021/acscatal.5b01816 PG 25 WC Chemistry, Physical SC Chemistry GA CY1FY UT WOS:000366153300014 ER PT J AU Das, U Zhang, GH Hu, B Hock, AS Redfern, PC Miller, JT Curtiss, LA AF Das, Ujjal Zhang, Guanghui Hu, Bo Hock, Adam S. Redfern, Paul C. Miller, Jeffrey T. Curtiss, Larry A. TI Effect of Siloxane Ring Strain and Cation Charge Density on the Formation of Coordinately Unsaturated Metal Sites on Silica: Insights from Density Functional Theory (DFT) Studies SO ACS CATALYSIS LA English DT Article DE single site catalysts; Lewis acids; ring strain; coordination number; silica surface; DFT; EXAFS; charge density ID SELECTIVE PROPANE DEHYDROGENATION; AMORPHOUS SILICA; AB-INITIO; ENERGIES; CATALYST; MODEL; POLYMERIZATION; SURFACE; SIO2 AB Amorphous silica (SiO2) is commonly used as a support in heterogeneous catalysis. However, because of the structural disorder and temperature-induced change of surface morphology, the structures of silica-supported metal catalysts are difficult to determine. Most studies are primarily focused on understanding the interactions of different types of surface hydroxyl groups with metal ions. In comparison, the effect of siloxane ring size on the structure of silica-supported metal catalysts and how it affects catalytic activity is poorly understood. Here, we have used density functional theory (DFT) calculations to understand the effect of siloxane ring strain on structure and activity of different monomeric Lewis acid metal sites on silica. In particular, we have found that large siloxane rings favor strong dative bonding interaction between metal ion and surface hydroxyls, leading to the formation of high-coordinate metal sites. In comparison, metal silanol interaction is weak in small siloxane rings, resulting in low-coordinate metal sites. The physical origin of this size dependence is associated with siloxane ring strain, and a correlation between the metal silanol interaction energy and the ring strain energy has been observed. In addition to ring strain, the strength of the metal silanol interaction also depends on the positive charge density of the cations. In fact, a correlation also exists between metal silanol interaction energy and charge density of several first-row transition and post-transition metals. The theoretical results are compared with the extended X-ray absorption fine structure (EXAFS) data of monomeric Zn(II) and Ga(III) ions grafted on silica. The molecular level insights of how metal ion coordination on silica depends on siloxane ring strain and cation charge density will be useful in the synthesis of new catalysts. C1 [Das, Ujjal; Curtiss, Larry A.] Argonne Natl Lab, Div Mat Sci, Lemont, IL 60439 USA. [Zhang, Guanghui; Hu, Bo; Hock, Adam S.; Redfern, Paul C.; Miller, Jeffrey T.] Argonne Natl Lab, Chem Sci & Engn, Lemont, IL 60439 USA. [Zhang, Guanghui; Hu, Bo; Hock, Adam S.] IIT, Dept Chem, Chicago, IL 60616 USA. RP Das, U (reprint author), Argonne Natl Lab, Div Mat Sci, Lemont, IL 60439 USA. EM udas@anl.gov; curtiss@anl.gov RI Zhang, Guanghui/C-4747-2008; Hock, Adam/D-7660-2012 OI Zhang, Guanghui/0000-0002-5854-6909; Hock, Adam/0000-0003-1440-1473 FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences; U.S. Department of Energy [DE-AC02-06CH11357] FX The work was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences. Argonne is operated by UChicago Argonne, LLC, for the U.S. Department of Energy, under Contract No. DE-AC02-06CH11357. Theoretical calculations were performed using the computational resources available at the Argonne National Laboratory Center for Nanoscale Materials (CNM) and the computing resources provided on Fusion and Blues, two high-performance computing clusters operated by the Laboratory Computing Resource Center (LCRC) at Argonne National Laboratory. NR 29 TC 4 Z9 4 U1 5 U2 34 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2155-5435 J9 ACS CATAL JI ACS Catal. PD DEC PY 2015 VL 5 IS 12 BP 7177 EP 7185 DI 10.1021/acscatal.5b01699 PG 9 WC Chemistry, Physical SC Chemistry GA CY1FY UT WOS:000366153300015 ER PT J AU Shao, YY Cheng, YW Duan, WT Wang, W Lin, YH Wang, Y Liu, J AF Shao, Yuyan Cheng, Yingwen Duan, Wentao Wang, Wei Lin, Yuehe Wang, Yong Liu, Jun TI Nanostructured Electrocatalysts for PEM Fuel Cells and Redox Flow Batteries: A Selected Review SO ACS CATALYSIS LA English DT Review DE fuel cells; flow battery; electrocatalyst; graphene; defects; energy storage ID OXYGEN REDUCTION REACTION; NITROGEN-DOPED GRAPHENE; METAL-FREE ELECTROCATALYSTS; RESEARCH-AND-DEVELOPMENT; SCALE ENERGY-STORAGE; CARBON NANOTUBES; AIR BATTERIES; RECENT PROGRESS; FUNCTIONALIZED GRAPHENE; PLATINUM NANOPARTICLES AB PEM fuel cells and redox flow batteries are two very similar technologies which share common component materials and device design. Electrocatalysts are the key components in these two devices. In this Review, we discuss recent progress of electrocatalytic materials for these two technologies with a focus on our research activities at Pacific Northwest National Laboratory (PNNL) in the past years. This includes (1) nondestructive functionalization of graphitic carbon as Pt support to improve its electrocatalytic performance, (2) triple-junction of metal-carbon-metal oxides to promote Pt performance, (3) nitrogen-doped carbon and metal-doped carbon (i.e., metal oxides) to improve redox reactions in flow batteries. A perspective on future research and the synergy between the two technologies are also discussed. C1 [Shao, Yuyan; Cheng, Yingwen; Duan, Wentao; Wang, Wei; Wang, Yong; Liu, Jun] Pacific NW Natl Lab, Richland, WA 99352 USA. [Wang, Yong] Washington State Univ, Voiland Sch Chem Engn & Bioengn, Pullman, WA 99163 USA. [Lin, Yuehe] Washington State Univ, Sch Mech & Mat Engn, Pullman, WA 99164 USA. RP Shao, YY (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM yuyan.shao@pnnl.gov; yong.wang@pnnl.gov; jun.liu@pnnl.gov RI Shao, Yuyan/A-9911-2008; Wang, Wei/F-4196-2010; Lin, Yuehe/D-9762-2011; Duan, Wentao/E-5742-2011; Cheng, Yingwen/B-2202-2012 OI Shao, Yuyan/0000-0001-5735-2670; Wang, Wei/0000-0002-5453-4695; Lin, Yuehe/0000-0003-3791-7587; Duan, Wentao/0000-0002-8269-6413; Cheng, Yingwen/0000-0002-0778-5504 FU U.S. Department of Energy's (DOE's) Office of Energy Efficiency and Renewable Energy Fuel Cell Technologies Office; DOE Office of Electricity Energy Storage Program; DOE [DE-AC05-76L01830] FX This PEM fuel cell research is supported by the U.S. Department of Energy's (DOE's) Office of Energy Efficiency and Renewable Energy Fuel Cell Technologies Office and the redox flow battery research is supported by DOE Office of Electricity Energy Storage Program. PNNL is operated by Battelle for DOE under Contract DE-AC05-76L01830. NR 126 TC 17 Z9 17 U1 33 U2 130 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2155-5435 J9 ACS CATAL JI ACS Catal. PD DEC PY 2015 VL 5 IS 12 BP 7288 EP 7298 DI 10.1021/acscatal.5b01737 PG 11 WC Chemistry, Physical SC Chemistry GA CY1FY UT WOS:000366153300028 ER PT J AU Wei, ZH Karim, A Li, Y Wang, Y AF Wei, Zhehao Karim, Ayman Li, Yan Wang, Yong TI Elucidation of the Roles of Re in Aqueous-Phase Reforming of Glycerol over Pt-Re/C Catalysts SO ACS CATALYSIS LA English DT Article DE aqueous-phase reforming; bimetallic catalyst; platinum-rhenium; rhenium oxide; catalysis in condensed water; surface acidity; selectivity; in situ and in operando spectroscopy ID WATER-GAS-SHIFT; BIMETALLIC CATALYSTS; RHENIUM CATALYSTS; CO ADSORPTION; ACID SITES; HYDROGEN; SPECTROSCOPY; DEHYDRATION; PROMOTION; OXIDATION AB We report the investigation of surface properties of Pt/C and Pt Re/C catalysts using in situ spectroscopic tools and a fundamental understanding of their catalytic performances in glycerol aqueous-phase reforming (APR). We found that adding Re to Pt/C improves its activity significantly, which is consistent with our previous observation in glycerol steam reforming. However, the difference in reaction selectivity is much more pronounced in APR. Compared to Pt/C, Pt Re/C yielded significantly more liquid products, while the selectivity to H2 and CO2 decreased by more than 40%. In operand X-ray absorption spectroscopy and attenuated total reflectance infrared (ATR-IR) with in situ capability as well as Raman spectroscopy were employed to investigate the catalyst surface properties and the roles of Re. In operando X-ray absorption fine structure shows treatment. Additionally, ATR-IR using CO as a probe molecule demonstrated that desorption of CO from the Pt Re/C surface is more facile than that from Pt/C in the aqueous phase. We propose that well-dispersed Re oxide species in the proximity of Pt work as the active sites, providing both metal and acid functionalities, while the terminal Re-O moiety has little contribution to the overall reactivity as evidenced by Raman spectroscopy. C1 [Wei, Zhehao; Li, Yan; Wang, Yong] Washington State Univ, Gene & Linda Voiland Sch Chem Engn & Bioengn, Pullman, WA 99164 USA. [Wei, Zhehao; Karim, Ayman; Wang, Yong] Pacific NW Natl Lab, Inst Integrated Catalysis, Richland, WA 99352 USA. RP Karim, A (reprint author), Pacific NW Natl Lab, Inst Integrated Catalysis, Richland, WA 99352 USA. EM amkarim@vt.edu; yong.wang@pnnl.gov RI Wei, Zhehao/L-2801-2013; Karim, Ayman/G-6176-2012 OI Wei, Zhehao/0000-0002-9670-4752; Karim, Ayman/0000-0001-7449-542X FU U.S. Department of Energy (DOE), Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences; U.S. Department of Energy, Office of Basic Energy Sciences [DE-FG02-05ER15688]; Synchrotron Catalysis Consortium FX The authors acknowledge financial support from U.S. Department of Energy (DOE), Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. Use of the National Synchrotron Light Source, Brookhaven National Laboratory, for the EXAFS experiments was supported by the U.S. Department of Energy, Office of Basic Energy Sciences (Grant DE-FG02-05ER15688). Beamline X18A is supported, in part, by the Synchrotron Catalysis Consortium. A.K. thanks Yongchun Hong (Washington State University) for his help with XAS data collection. NR 37 TC 1 Z9 1 U1 12 U2 53 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2155-5435 J9 ACS CATAL JI ACS Catal. PD DEC PY 2015 VL 5 IS 12 BP 7312 EP 7320 DI 10.1021/acscatal.5b01770 PG 9 WC Chemistry, Physical SC Chemistry GA CY1FY UT WOS:000366153300030 ER PT J AU Yang, Y Mei, DH Peden, CHF Campbell, CT Mims, CA AF Yang, Yong Mei, Donghai Peden, Charles H. F. Campbell, Charles T. Mims, Charles A. TI Surface-Bound Intermediates in Low-Temperature Methanol Synthesis on Copper: Participants and Spectators SO ACS CATALYSIS LA English DT Article DE methanol synthesis; copper; formate; mechanism; spectator ID GAS SHIFT REACTION; PROGRAMMED REACTION SPECTROSCOPY; ZIRCONIA PROMOTED CU/SIO2; CU(110) MODEL CATALYSTS; SILICA-SUPPORTED COPPER; ZN-DEPOSITED CU(111); CO2 HYDROGENATION; FORMIC-ACID; CU/ZNO CATALYSTS; HETEROGENEOUS CATALYSIS AB The reactivity of surface-adsorbed species present on copper catalysts during methanol synthesis at low temperatures was studied by simultaneous infrared spectroscopy (IR) and mass spectroscopy (MS) measurements during "titration" (transient surface reaction) experiments with isotopic tracing. The results show that adsorbed formate is a major bystander species present on the surface under steady-state methanol synthesis reaction conditions, but it cannot be converted to methanol by reaction with pure H-2 or with H2 plus added water. Formate-containing surface adlayers for these experiments were produced during steady-state catalysis in (a) H-2:CO2 (with substantial formate coverage) and (b) moist H2:CO (with no IR visible formate species). These reaction conditions both produce methanol at steady state with relatively high rates. Adlayers containing formate were also produced by (c) formic acid adsorption. Various "titration" gases were used to probe these adlayers at modest temperatures (T = 410-450 K) and 6 bar total pressure. Methanol gas (up to 1% monolayer equivalent) was produced in "titration" from the H-2:CO2 catalytic adlayers by H-2 plus water, but not by dry hydrogen. The decay in the formate IR features accelerated in the presence of added water vapor. The H-2:CO:H2O catalytic adlayer produced similar methanol titration yields in H-2 plus water but showed no surface formate features in IR (less than 0.2% monolayer coverage). Finally, formate from formic acid chemisorption produced no methanol under any titration conditions. Even under H-2:CO2 catalytic reaction conditions, isotope tracing showed that preadsorbed formate from formic acid did not contribute to the methanol produced. Although non-formate species exist during low-temperature methanol synthesis on copper which can be converted to methanol gas by titration with pure H-2 plus water in sufficient quantities for that intermediate to be observable by IR., formate itself is only a "spectator" in this reaction and gives no observable methanol upon any titration we performed with H-2 or H-2 plus water. C1 [Yang, Yong; Mei, Donghai; Peden, Charles H. F.] Pacific NW Natl Lab, Inst Integrated Catalysis, Richland, WA 99354 USA. [Yang, Yong; Campbell, Charles T.] Univ Washington, Dept Chem, Seattle, WA 98195 USA. [Mims, Charles A.] Univ Toronto, Dept Chem Engn, Toronto, ON M5S 3E5, Canada. [Mims, Charles A.] Univ Toronto, Dept Chem, Toronto, ON M5S 3E5, Canada. RP Mims, CA (reprint author), Univ Toronto, Dept Chem Engn, 200 Coll St, Toronto, ON M5S 3E5, Canada. EM yangyong@shanghaitech.edu.cn; charles.mims@utoronto.ca RI Mei, Donghai/D-3251-2011; Mei, Donghai/A-2115-2012 OI Mei, Donghai/0000-0002-0286-4182 FU U.S. Department of Energy (DOE), Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences; Department of Energy, Office of Basic Energy Sciences, Chemical Sciences Division [DE-FG02-96ER14630]; National Science and Engineering Research Council (Canada); DOE's Office of Biological and Environmental Research FX D.M. and C.H.F.P. thank the U.S. Department of Energy (DOE), Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences, for funding their participation in this work. C.T.C. acknowledges the Department of Energy, Office of Basic Energy Sciences, Chemical Sciences Division, under Grant No. DE-FG02-96ER14630 for support of this work. CAM, thanks the Institute for Integrated Catalysis for support as a visiting professor and the National Science and Engineering Research Council (Canada) for partial support. This work was conducted in the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by DOE's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory (PNNL). PNNL is a multiprogram national laboratory operated for DOE by Battelle. The authors dedicate this paper to the memory of J. Michael White, founding director of the Institute for Integrated Catalysis at PNNL, mentor, and friend. NR 88 TC 6 Z9 7 U1 17 U2 95 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2155-5435 J9 ACS CATAL JI ACS Catal. PD DEC PY 2015 VL 5 IS 12 BP 7328 EP 7337 DI 10.1021/acscatal.5b02060 PG 10 WC Chemistry, Physical SC Chemistry GA CY1FY UT WOS:000366153300032 ER PT J AU Eedugurala, N Wang, ZR Chaudhary, U Nelson, N Kandel, K Kobayashi, T Slowing, II Pruski, M Sadow, AD AF Eedugurala, Naresh Wang, Zhuoran Chaudhary, Umesh Nelson, Nicholas Kandel, Kapil Kobayashi, Takeshi Slowing, Igor I. Pruski, Marek Sadow, Aaron D. TI Mesoporous Silica-Supported Amidozirconium-Catalyzed Carbonyl Hydroboration SO ACS CATALYSIS LA English DT Article DE single-site catalysts; carbonyl hydroboration; zirconium hydride; interfacial catalysis; mesoporous silica; solid-state NMR ID SURFACE ORGANOMETALLIC CHEMISTRY; CHIRAL TITANOCENE CATALYST; SIGMA-BOND METATHESIS; SOLID-STATE NMR; DYNAMIC NUCLEAR-POLARIZATION; SELECTIVE HYDROSILYLATION; ASYMMETRIC HYDROGENATION; ORGANOYTTRIUM COMPLEX; ZIRCONIUM HYDRIDES; ACTIVATION AB The hydroboration of aldehydes and ketones using a silica-supported zirconium catalyst is reported. Reaction of Zr(NMe2)(4) and mesoporous silica nanoparticles (MSN) provides the catalytic material Zr(NMe2)(5)@MSN. Exhaustive characterization of Zr(NMe2)(5)@MSN with solidstate (SS)NMR and infrared spectroscopy, as well as through reactivity studies, suggests its surface structure is primarily an SiOZr(NMe2)(3). The presence of these nitrogen-containing zirconium sites is supported by I5N NMR spectroscopy, including natural abundance '5N NMR measurements using dynamic nuclear polarization (DNP) SSNMR. The Zr(NMe2)(5)@MSN material reacts with pinacolborane (HBpin) to provide Me(2)NBpin and the material ZrH/Bpin@MSN that is composed of interacting surface-bonded zirconium hydride and surface-bonded borane =-SiOBpin moieties in an approximately 1:1 ratio, as well as zirconium sites coordinated by dimethylamine. The ZrH/Bpin@MSN is characterized by 'H/H-2 and HB SSNMR and infrared spectroscopy and through its reactivity with D-2. The zirconium hydride material or the zirconium amide precursor Zr(NMe2)(5)@MSN catalyzes the selective hydroboration of aldehydes and ketones with HBpin in the presence of functional groups that are often reduced under hydroboration conditions or are sensitive to metal hydrides, including olefins, alkynes, nitro groups, halides, and ethers. Remarkably, this catalytic material may be recycled without loss of activity at least eight times, and air-exposed materials are catalytically active. Thus, these supported zirconium centers are robust catalytic sites for carbonyl reduction and that surface-supported, catalytically reactive zirconium hydride may be generated from zirconium-amide or zirconium alkoxide sites. C1 [Sadow, Aaron D.] Iowa State Univ, US DOE, Ames Lab, Ames, IA 50011 USA. Iowa State Univ, Dept Chem, Ames, IA 50011 USA. RP Sadow, AD (reprint author), Iowa State Univ, US DOE, Ames Lab, 1605 Gilman Hall, Ames, IA 50011 USA. EM mpruski@iastate.edu; sadow@iastate.edu OI Slowing, Igor/0000-0002-9319-8639 FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences [DE-AC02-07CH11358] FX This research was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences through the Ames Laboratory (Contract No. DE-AC02-07CH11358). The authors thank BASF for the generous donation of the P104 surfactant. NR 63 TC 6 Z9 6 U1 15 U2 64 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2155-5435 J9 ACS CATAL JI ACS Catal. PD DEC PY 2015 VL 5 IS 12 BP 7399 EP 7414 DI 10.1021/acscatal.5b01671 PG 16 WC Chemistry, Physical SC Chemistry GA CY1FY UT WOS:000366153300040 ER PT J AU Akato, K Tran, CD Chen, JH Naskar, AK AF Akato, Kokouvi Tran, Chau D. Chen, Jihua Naskar, Amit K. TI Poly(ethylene oxide)-Assisted Macromolecular Self-Assembly of Lignin in ABS Matrix for Sustainable Composite Applications SO ACS SUSTAINABLE CHEMISTRY & ENGINEERING LA English DT Article DE Lignin; Self-assembly; Renewable composites; Sustainable materials; Polymer ID MECHANICAL-PROPERTIES; MULTIPHASE MATERIALS; NATURAL FIBER; BLENDS; THERMOPLASTICS; VALORIZATION; ESTERS AB In this effort, we report the compatibilization of biomass-derived lignin polymer in acrylonitrile butadiene styrene (ABS) thermoplastic matrix without loss of mechanical properties via poly(ethylene oxide) (PEO)-mediated macromolecular self-assembly. ABS was blended with lignin in different concentrations, and blends with 10 wt % PEO (relative to lignin) were prepared. The relative tensile strength improved slightly at low lignin content but diminished rapidly as the lignin content was increased. However, the inclusion of PEO as an interfacial adhesion promoter helped avoid deleterious effects. Dynamic mechanical analysis showed that PEO plasticized the hard phase and thus lowered the activation energy (Ea) for its relaxation but caused stiffening of the soft phase and increased its Ea. Microscopy revealed that incorporating lignin in ABS led to the statistical dispersion of discrete lignin domains (300-1000 nm) which, after PEO addition, were reduced to smaller interconnected particles (200-500 nm). The lignin-extended partially renewable ABS resins showed shear-thinning behavior and reduced viscosity compared to neat ABS. The preferred lignin-loaded compositions reinforced with 20 vol % chopped carbon fibers exhibited mechanical performances (77-80 MPa) equivalent to those of reinforced ABS materials reportedly used in 3D printing applications. This approach could lower the cost of ABS while reducing its carbon footprint. C1 [Akato, Kokouvi; Tran, Chau D.; Naskar, Amit K.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Carbon & Composites Grp, Oak Ridge, TN 37831 USA. [Akato, Kokouvi; Naskar, Amit K.] Univ Tennessee, Bredesen Ctr Interdisciplinary Res & Grad Educ, Knoxville, TN 37996 USA. [Chen, Jihua] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Naskar, AK (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Carbon & Composites Grp, Oak Ridge, TN 37831 USA. EM naskarak@ornl.gov RI Chen, Jihua/F-1417-2011 OI Chen, Jihua/0000-0001-6879-5936 FU Technology Innovation Program of Oak Ridge National Laboratory; U.S. Department of Energy [DE-AC05-00OR22725] FX Research was sponsored by the Technology Innovation Program of Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the U.S. Department of Energy. TEM (J.C. and C. D. T.) experiments were conducted at the Center for Nanophase Materials Sciences, which is a DOE Office of Science User Facility. This paper 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 paper, or allow others to do so, for United States Government purposes. NR 25 TC 4 Z9 4 U1 19 U2 41 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2168-0485 J9 ACS SUSTAIN CHEM ENG JI ACS Sustain. Chem. Eng. PD DEC PY 2015 VL 3 IS 12 BP 3070 EP 3076 DI 10.1021/acssuschemeng.5b00509 PG 7 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Engineering, Chemical SC Chemistry; Science & Technology - Other Topics; Engineering GA CY1GC UT WOS:000366153700008 ER PT J AU Chapman, KW Parsons, S Walton, RI AF Chapman, Karena W. Parsons, Simon Walton, Richard I. TI Introduction to the special issue on energy materials SO ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS LA English DT Editorial Material DE energy materials; structure-property relationship; framework materials; molecular storage; conductors; batteries; thermoelectrics C1 [Chapman, Karena W.; Parsons, Simon] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA. [Walton, Richard I.] Univ Edinburgh, Sch Chem, Edinburgh EH9 3JJ, Midlothian, Scotland. Univ Warwick, Dept Chem, Coventry CV4 7AL, W Midlands, England. RP Chapman, KW (reprint author), Argonne Natl Lab, Adv Photon Source, Xray Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM chapmank@aps.anl.gov; s.parsons@ed.ac.uk; r.i.walton@warwick.ac.uk OI Walton, Richard/0000-0001-9706-2774 NR 15 TC 0 Z9 0 U1 3 U2 13 PU INT UNION CRYSTALLOGRAPHY PI CHESTER PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND SN 2052-5206 J9 ACTA CRYSTALLOGR B JI Acta Crystallogr. Sect. B-Struct. Sci.Cryst. Eng. Mat. PD DEC PY 2015 VL 71 SI SI BP 583 EP 584 DI 10.1107/S2052520615022477 PN 6 PG 2 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA CY3PF UT WOS:000366321100001 PM 26634714 ER PT J AU Kwon, G Kokhan, O Han, A Chapman, KW Chupas, PJ Du, PW Tiede, DM AF Kwon, Gihan Kokhan, Oleksandr Han, Ali Chapman, Karena W. Chupas, Peter J. Du, Pingwu Tiede, David M. TI Oxyanion induced variations in domain structure for amorphous cobalt oxide oxygen evolving catalysts, resolved by X-ray pair distribution function analysis SO ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS LA English DT Article DE water-splitting catalysts; amorphous metal oxides; pair distribution function analysis; high-energy X-ray scattering; cobalt oxide ID WATER OXIDATION CATALYSIS; PHOTOSYSTEM-II; EVOLUTION ELECTROCATALYSTS; MOLECULAR-DYNAMICS; OXIDIZING COMPLEX; MANGANESE OXIDES; MECHANISM; PHOSPHATE; DIFFRACTION; NICKEL AB Amorphous thin film oxygen evolving catalysts, OECs, of first-row transition metals show promise to serve as self-assembling photoanode materials in solar-driven, photoelectrochemical 'artificial leaf' devices. This report demonstrates the ability to use high-energy X-ray scattering and atomic pair distribution function analysis, PDF, to resolve structure in amorphous metal oxide catalyst films. The analysis is applied here to resolve domain structure differences induced by oxyanion substitution during the electrochemical assembly of amorphous cobalt oxide catalyst films, Co-OEC. PDF patterns for Co-OEC films formed using phosphate, Pi, methylphosphate, MPi, and borate, Bi, electrolyte buffers show that the resulting domains vary in size following the sequence Pi < MPi < Bi. The increases in domain size for CoMPi and CoBi were found to be correlated with increases in the contributions from bilayer and trilayer stacked domains having structures intermediate between those of the LiCoOO and CoO(OH) mineral forms. The lattice structures and offset stacking of adjacent layers in the partially stacked CoMPi and CoBi domains were best matched to those in the LiCoOO layered structure. The results demonstrate the ability of PDF analysis to elucidate features of domain size, structure, defect content and mesoscale organization for amorphous metal oxide catalysts that are not readily accessed by other X-ray techniques. PDF structure analysis is shown to provide a way to characterize domain structures in different forms of amorphous oxide catalysts, and hence provide an opportunity to investigate correlations between domain structure and catalytic activity. C1 [Kwon, Gihan; Kokhan, Oleksandr; Tiede, David M.] Argonne Natl Lab, Chem Sci & Engn Div, Lemont, IL 60439 USA. [Han, Ali; Du, Pingwu] Univ Sci & Technol China, Dept Mat Sci & Engn, Hefei 230026, Peoples R China. [Chapman, Karena W.; Chupas, Peter J.] Argonne Natl Lab, Xray Sci Div, Lemont, IL 60439 USA. RP Tiede, DM (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Lemont, IL 60439 USA. EM tiede@anl.gov OI Kokhan, Oleksandr/0000-0001-9867-8044 FU Division of Chemical Sciences, Geosciences and Biosciences, Office of Basic Energy Sciences of the US Department of Energy [DE-AC02-06CH11357]; US DOE [DE-AC02-06CH11357] FX This work was supported by the Division of Chemical Sciences, Geosciences and Biosciences, Office of Basic Energy Sciences of the US Department of Energy under Contract DE-AC02-06CH11357. High-energy X-ray scattering measurements were carried out at beamline 11-ID-B of the Advanced Photon Source, an Office of Science User Facility operated for the US Department of Energy (DOE) Office of Science by Argonne National Laboratory and supported by the US DOE under Contract No. DE-AC02-06CH11357. NR 50 TC 1 Z9 1 U1 10 U2 22 PU INT UNION CRYSTALLOGRAPHY PI CHESTER PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND SN 2052-5206 J9 ACTA CRYSTALLOGR B JI Acta Crystallogr. Sect. B-Struct. Sci.Cryst. Eng. Mat. PD DEC PY 2015 VL 71 SI SI BP 713 EP 721 DI 10.1107/S2052520615022180 PN 6 PG 9 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA CY3PF UT WOS:000366321100015 PM 26634728 ER PT J AU Ashton, TE Borras, DH Iadecola, A Wiaderek, KM Chupas, PJ Chapman, KW Corr, SA AF Ashton, Thomas E. Borras, David Hevia Iadecola, Antonella Wiaderek, Kamila M. Chupas, Peter J. Chapman, Karena W. Corr, Serena A. TI Microwave-assisted synthesis and electrochemical evaluation of VO2 (B) nanostructures SO ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS LA English DT Article DE vanadium dioxide; Li-ion battery; X-ray absorption spectroscopy; in-situ; intercalation ID LITHIUM-ION BATTERIES; TEMPLATE-FREE SYNTHESIS; HOLLOW MICROSPHERES; CATHODE MATERIAL; VANADIUM-OXIDES; HYDROTHERMAL SYNTHESIS; INTERCALATION; NANOWIRES; PERFORMANCES; NANOSHEETS AB Understanding how intercalation materials change during electrochemical operation is paramount to optimizing their behaviour and function and in situ characterization methods allow us to observe these changes without sample destruction. Here we first report the improved intercalation properties of bronze phase vanadium dioxide VO2 (B) prepared by a microwave-assisted route which exhibits a larger electrochemical capacity (232 mAh g(-1)) compared with VO2 (B) prepared by a solvothermal route (197 mAh g(-1)). These electrochemical differences have also been followed using in situ X-ray absorption spectroscopy allowing us to follow oxidation state changes as they occur during battery operation. C1 [Ashton, Thomas E.; Borras, David Hevia; Corr, Serena A.] Univ Glasgow, Sch Chem, Glasgow G12 8QQ, Lanark, Scotland. [Iadecola, Antonella] European Synchrotron, F-38000 Grenoble, France. [Iadecola, Antonella] FR CNRS 3459, Reseau Stockage Electrochim Energie, Paris, France. [Iadecola, Antonella] Synchrotron SOLEIL, F-91192 Gif Sur Yvette, France. [Wiaderek, Kamila M.; Chupas, Peter J.; Chapman, Karena W.] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. RP Corr, SA (reprint author), Univ Glasgow, Sch Chem, Glasgow G12 8QQ, Lanark, Scotland. EM serena.corr@glasgow.ac.uk OI Corr, Serena/0000-0002-9303-4220 FU EPSRC [EP/K029290/1, EP/N001982/1]; Royal Society [RG100301]; University of Glasgow; US Department of Energy [DE-AC02-06CH11357] FX We gratefully acknowledge helpful discussions with Dr Mark Newton and technical support from Mr Michael Beglan. We also thank the European Radiation Synchrotron Facility (ESRF) for beam time allocation, the EPSRC (EP/K029290/1 and EP/N001982/1) and Royal Society (RG100301) for funding, the University of Glasgow for support and the School of Chemistry for the use of its facilities. Work done at Argonne and use of the Advanced Photon Source, an Office of Science User Facility operated for the US Department of Energy Office of Science by Argonne National Laboratory, were supported by the US Department of Energy under Contract No. DE-AC02-06CH11357. NR 34 TC 2 Z9 2 U1 6 U2 41 PU INT UNION CRYSTALLOGRAPHY PI CHESTER PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND SN 2052-5206 J9 ACTA CRYSTALLOGR B JI Acta Crystallogr. Sect. B-Struct. Sci.Cryst. Eng. Mat. PD DEC PY 2015 VL 71 SI SI BP 722 EP 726 DI 10.1107/S2052520615021289 PN 6 PG 5 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA CY3PF UT WOS:000366321100016 PM 26634729 ER PT J AU Egbendewe-Mondzozo, A Swinton, SM Kang, SJ Post, WM Binfield, JC Thompson, W AF Egbendewe-Mondzozo, Aklesso Swinton, Scott M. Kang, Shujiang Post, Wilfred M. Binfield, Julian C. Thompson, Wyatt TI Bioenergy Supply and Environmental Impacts on Cropland: Insights from Multi-market Forecasts in a Great Lakes Subregional Bioeconomic Model SO APPLIED ECONOMIC PERSPECTIVES AND POLICY LA English DT Article DE Land use; environmental impact; biofuels ID BIOFUEL MANDATES; SIMULATIONS; FEEDSTOCK; CROPS AB Using subregional models of crop production choices in central Wisconsin and southwest Michigan, we predict biomass production, land use, and environmental impacts with details that are unavailable from national scale models. When biomass prices are raised exogenously, we find that the subregional models overestimate the supply, the land use, and the beneficial environmental aspects of perennial biomass crops. Multi-market price feedbacks tied to realistic policy parameters predict high threshold absolute prices for biomass to enter production, resulting in intensified production of biomass from annual grain crops with damaging environmental impacts. Multi-market feedbacks also predict regional specialization in energy biomass production in areas with lower yields of food crops. Policies promoting biofuels will not necessarily generate environmental benefits in the absence of environmental regulations. C1 [Egbendewe-Mondzozo, Aklesso] Univ Lome, Dept Econ & Management Sci FASEG, Lome, Togo. [Swinton, Scott M.] Michigan State Univ, Dept Agr Food & Resource Econ, E Lansing, MI 48824 USA. [Swinton, Scott M.] Michigan State Univ, Great Lakes Bioenergy Res Ctr, E Lansing, MI 48824 USA. [Kang, Shujiang; Post, Wilfred M.] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Kang, Shujiang; Post, Wilfred M.] Great Lakes Bioenergy Res Ctr, Madison, WI USA. [Binfield, Julian C.; Thompson, Wyatt] Univ Missouri, Food & Agr Policy Res Inst, Columbia, MO 65211 USA. RP Egbendewe-Mondzozo, A (reprint author), Univ Lome, Dept Econ & Management Sci FASEG, Lome, Togo. EM emaklesso@gmail.com FU U.S. Department of Energy's Office of Science [DE-FCO2-07ER64494]; Office of Energy Efficiency and Renewable Energy [DE-ACO5-76RL01830]; U.S. National Science Foundation's Long-term Ecological Research program [DEB 1027253]; Michigan State University AgBioResearch FX Funding for this research was provided by the U.S. Department of Energy's Office of Science (DE-FCO2-07ER64494) and Office of Energy Efficiency and Renewable Energy (DE-ACO5-76RL01830), the U.S. National Science Foundation's Long-term Ecological Research (DEB 1027253) program, and Michigan State University AgBioResearch. Part of this research was carried out when the first author was a senior researcher at the Fondazione Eni Enrico Mattei (FEEM) in Milan, Italy. Therefore, material support from FEEM is acknowledged. For data and comments, the authors wish to thank Sarah AcMoody, Kurt Thelen, Bruce Dale, Seth Meyer, Bryan Bals, Josh Posner, R. Cesar Izaurralde, David H. Manowitz, Xuesong Zhang, and all the participants at the 2012 International Agricultural Economists Association (IAAE) meeting in Foz do Iguacu, Brazil. NR 34 TC 0 Z9 0 U1 8 U2 8 PU OXFORD UNIV PRESS INC PI CARY PA JOURNALS DEPT, 2001 EVANS RD, CARY, NC 27513 USA SN 2040-5790 EI 2040-5804 J9 APPL ECON PERSPECT P JI Appl. Econ. Perspect. Policy PD DEC PY 2015 VL 37 IS 4 BP 602 EP 618 DI 10.1093/aepp/ppu044 PG 17 WC Agricultural Economics & Policy; Economics SC Agriculture; Business & Economics GA CY4IF UT WOS:000366371100004 ER PT J AU Oleske, JB Smith, BT Barber, J Weatherall, JC AF Oleske, Jeffrey B. Smith, Barry T. Barber, Jeffrey Weatherall, James C. TI Identifying Raman and Infrared Vibrational Motions of Erythritol Tetranitrate SO APPLIED SPECTROSCOPY LA English DT Article DE Vibrational signature; Raman spectroscopy; Attenuated total reflectance; ATR; Explosives detection; Erythritol tetranitrate; ETN ID MOLECULAR-STRUCTURE; RESONANCE RAMAN; NITRIC ESTERS; EXPLOSIVES; SPECTROSCOPY; SPECTRA; RDX AB The vibrational bands of erythritol tetranitrate (ETN) were measured experimentally with both Raman spectroscopy and attenuated total reflectance Fourier transform infrared (AIR FT-IR) spectroscopy. Seventy-two (3N-6) vibrational modes were predicted for FIN using density functional theory calculations performed using the B3LYP/6-31G* density functional basis set and geometry optimization. Raman spectroscopy and ATR FT-IR were used to measure observable Raman and IR signatures between 140 and 3100 wavenumbers (cm(-1)). Within this spectral range, 32 Raman bands and 21 IR bands were measured and identified by their predicted vibrational motion. The spectroscopic and theoretical analysis of ETN performed will advance the detection and identification capabilities of field measuring instruments for this explosive. C1 [Oleske, Jeffrey B.; Smith, Barry T.] US Dept Homeland Secur, Transportat Secur Lab, EMXLAB, Atlantic City Int Airport, Atlantic City, NJ 08405 USA. [Barber, Jeffrey; Weatherall, James C.] Battelle Mem Inst, Egg Harbor Township, NJ 08234 USA. [Oleske, Jeffrey B.] Oak Ridge Inst Sci & Educ, Oak Ridge, TN 37831 USA. RP Smith, BT (reprint author), US Dept Homeland Secur, Transportat Secur Lab, EMXLAB, Atlantic City Int Airport, Atlantic City, NJ 08405 USA. EM barry.t.smith@hq.dhs.gov FU DOE [DE-AC05-06OR23100] FX This research was supported in part by an appointment to the TSL Visiting Scientist Program administered by the Oak Ridge Institute for Science and Education through an interagency agreement between the U.S. Department of Energy and the U.S. Department of Homeland Security. ORISE is managed by Oak Ridge Associated Universities (ORAU) under DOE contract number DE-AC05-06OR23100. The authors wish to thank David Hernandez of the TSL Trace Lab for synthesis of ETN and Marc L. Richard, Associate Professor of Chemistry at Richard Stockton College of New Jersey, for use of the Thermo Scientific Nicolet iS50 FT-IR spectrometer. The United States Government does not endorse products or manufacturers. Trade or manufacturers' names appear herein solely because they are considered essential to the objective of this report. NR 36 TC 0 Z9 0 U1 1 U2 9 PU SOC APPLIED SPECTROSCOPY PI FREDERICK PA 5320 SPECTRUM DRIVE SUITE C, FREDERICK, MD 21703 USA SN 0003-7028 EI 1943-3530 J9 APPL SPECTROSC JI Appl. Spectrosc. PD DEC PY 2015 VL 69 IS 12 BP 1397 EP 1402 DI 10.1366/14-07684 PG 6 WC Instruments & Instrumentation; Spectroscopy SC Instruments & Instrumentation; Spectroscopy GA CY1DG UT WOS:000366146300005 PM 26647149 ER PT J AU Gibbons, BC Chambers, MC Monroe, ME Tabb, DL Payne, SH AF Gibbons, Bryson C. Chambers, Matthew C. Monroe, Matthew E. Tabb, David L. Payne, Samuel H. TI Correcting systematic bias and instrument measurement drift with mzRefinery SO BIOINFORMATICS LA English DT Article ID LOCK MASS; PROTEOMICS; SPECTROMETRY; INJECTION; ACCURACY; SOFTWARE AB Motivation: Systematic bias in mass measurement adversely affects data quality and negates the advantages of high precision instruments. Results: We introduce the mzRefinery tool for calibration of mass spectrometry data files. Using confident peptide spectrum matches, three different calibration methods are explored and the optimal transform function is chosen. After calibration, systematic bias is removed and the mass measurement errors are centered at 0 ppm. Because it is part of the ProteoWizard package, mzRefinery can read and write a wide variety of file formats. C1 [Gibbons, Bryson C.; Monroe, Matthew E.; Payne, Samuel H.] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99354 USA. [Chambers, Matthew C.; Tabb, David L.] Vanderbilt Univ, Sch Med, Dept Biomed Informat, Nashville, TN 37232 USA. RP Payne, SH (reprint author), Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99354 USA. EM samuel.payne@pnnl.gov FU NIH National Institute of General Medical Sciences [GM103493]; Department of Energy Office of Biological and Environmental Research Genome Sciences Program under the Pan-omics program; U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research, Early Career Research Program; National Cancer Institute [U24 CA159988] FX Portions of this work were supported by the NIH National Institute of General Medical Sciences (GM103493), and by the Department of Energy Office of Biological and Environmental Research Genome Sciences Program under the Pan-omics program. S.H.P. was supported by the U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research, Early Career Research Program. D.L.T. and M.C.C. were supported through U24 CA159988 from the National Cancer Institute. NR 7 TC 1 Z9 1 U1 0 U2 2 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 1367-4803 EI 1460-2059 J9 BIOINFORMATICS JI Bioinformatics PD DEC 1 PY 2015 VL 31 IS 23 BP 3838 EP 3840 DI 10.1093/bioinformatics/btv437 PG 3 WC Biochemical Research Methods; Biotechnology & Applied Microbiology; Computer Science, Interdisciplinary Applications; Mathematical & Computational Biology; Statistics & Probability SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Computer Science; Mathematical & Computational Biology; Mathematics GA CY4LA UT WOS:000366378400019 PM 26243018 ER PT J AU Gao, ZM Smith, DE Daw, CS Edwards, KD Kaul, BC Domingo, N Parks, JE Jones, PT AF Gao, Zhiming Smith, David E. Daw, C. Stuart Edwards, K. Dean Kaul, Brian C. Domingo, Norberto Parks, James E., II Jones, Perry T. TI The evaluation of developing vehicle technologies on the fuel economy of long-haul trucks SO ENERGY CONVERSION AND MANAGEMENT LA English DT Article DE Fuel economy; Long-haul truck; Hybridization; Load reduction; Efficiency enhancement ID COMPRESSION IGNITION; BATTERY MODEL; EMISSIONS; COMBUSTION; RCCI AB We present fuel savings estimates resulting from the combined implementation of multiple advanced energy management technologies in both conventional and parallel hybrid Class 8 diesel trucks. The energy management technologies considered here have been specifically targeted by the 21st Century Truck Partnership (21 CTP) between the U.S. Department of Energy and U.S. industry and include advanced combustion engines, waste heat recovery, and reductions in auxiliary loads, rolling resistance, aerodynamic drag, and gross vehicle weight. We estimate that combined use of all these technologies in hybrid trucks has the potential to improve fuel economy by more than 60% compared to current conventional trucks, but this requires careful system integration to avoid non-optimal interactions. Major factors to be considered in system integration are discussed. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Gao, Zhiming; Smith, David E.; Daw, C. Stuart; Edwards, K. Dean; Kaul, Brian C.; Domingo, Norberto; Parks, James E., II; Jones, Perry T.] Oak Ridge Natl Lab, Natl Transportat Res Ctr, Knoxville, TN 37932 USA. RP Gao, ZM (reprint author), Oak Ridge Natl Lab, Natl Transportat Res Ctr, 2360 Cherahala Blvd, Knoxville, TN 37932 USA. RI Kaul, Brian/G-4056-2014; OI Kaul, Brian/0000-0001-8481-3620; Gao, Zhiming/0000-0002-7139-7995 FU U.S. Department of Energy Office of Vehicle Technologies FX This work was sponsored by the U.S. Department of Energy Office of Vehicle Technologies, with David Anderson as a project manager. The authors wish to our colleagues at ORNL, who contributed helpful suggestions and insights. NR 44 TC 3 Z9 3 U1 3 U2 9 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0196-8904 EI 1879-2227 J9 ENERG CONVERS MANAGE JI Energy Conv. Manag. PD DEC PY 2015 VL 106 BP 766 EP 781 DI 10.1016/j.enconman.2015.10.006 PG 16 WC Thermodynamics; Energy & Fuels; Mechanics SC Thermodynamics; Energy & Fuels; Mechanics GA CX9YU UT WOS:000366063500070 ER PT J AU Lafontaine, S Schrlau, J Butler, J Jia, YL Harper, B Harris, S Bramer, LM Waters, KM Harding, A Simonich, SLM AF Lafontaine, Scott Schrlau, Jill Butler, Jack Jia, Yuling Harper, Barbara Harris, Stuart Bramer, Lisa M. Waters, Katrina M. Harding, Anna Simonich, Staci L. Massey TI Relative Influence of Trans-Pacific and Regional Atmospheric Transport of PAHs in the Pacific Northwest, US SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID POLYCYCLIC AROMATIC-HYDROCARBONS; SEMIVOLATILE ORGANIC-COMPOUNDS; PARTICULATE MATTER; CARBON; AIR; PARTICLES; EMISSIONS; MUTAGENICITY; COMBUSTION; PESTICIDES AB The relative influences of trans-Pacific and regional atmospheric transport on measured concentrations of polycyclic aromatic hydrocarbons (PAHs), PAR derivatives (nitro- (NPAH) and oxy-(OPAH)), organic carbon (OC), and particulate matter (PM) less than 2.5 mu m in diameter (PM2.5) were investigated in the Pacific Northwest, U.S. in 2010-2011. Ambient high volume PM2.5 air samples were collected at two sites in the Pacific Northwest: (1.) Mount Bachelor Observatory (MBO) in the Oregon Cascade Range (2763 m above sea level (asl)) and 2.) Confederated Tribes of the Umatilla Indian Reservation (CTUIR) in the Columbia River Gorge (CRG) (954 m asl). At MBO, the 1,8-dinitropyrene concentration was significantly positively correlated with the time a sampled air mass spent over Asia, suggesting that this NPAH may be a good marker for trans-Pacific atmospheric transport. At CTUIR, NOx, CO2, and SO2 emissions from a 585 MW coal fired power plant, in Boardman OR, were found to be significantly positively correlated with PAR, OPAH, NPAH, OC, and PM2.5 concentrations. By comparing the Boardman Plant operational time frames when the plant was operating to when it was shut down, the plant was found to contribute a large percentage of the measured PAR (67%), NPAH (91%), OPAH (54%), PM2.5 (39%), and OC (38%) concentrations at CTUIR and the CRG prior to Spring 2011 and likely masked trans-Pacific atmospheric transport events to the CRG. Upgrades installed to the Boardman Plant in the spring of 2011 dramatically reduced the plant's contribution to PAR and OPAH concentrations (by similar to 72% and similar to 40%, respectively) at CTUIR and the CRG, but not NPAH, PM2.5 or OC concentrations. C1 [Lafontaine, Scott; Simonich, Staci L. Massey] Oregon State Univ, Dept Chem, Corvallis, OR 97331 USA. [Schrlau, Jill; Jia, Yuling; Simonich, Staci L. Massey] Oregon State Univ, Environm & Mol Toxicol, Corvallis, OR 97331 USA. [Butler, Jack; Harper, Barbara; Harris, Stuart] Confederated Tribes Umatilla Indian Reservat, Pendleton, OR 97801 USA. [Harper, Barbara; Harding, Anna] Oregon State Univ, Coll Publ Hlth & Human Sci, Sch Biol & Populat Hlth Sci, Corvallis, OR 97331 USA. [Bramer, Lisa M.] Pacific NW Natl Lab, Computat & Stat Analyt, Richland, WA 99352 USA. [Waters, Katrina M.] Pacific NW Natl Lab, Computat Biol & Bioinformat, Richland, WA 99352 USA. RP Simonich, SLM (reprint author), Oregon State Univ, Dept Chem, Gilbert Hall 153, Corvallis, OR 97331 USA. EM staci.simonich@orst.edu RI Bramer, Lisa/L-9184-2016 OI Bramer, Lisa/0000-0002-8384-1926 FU National Institute of Environmental Health Sciences (NIEHS), NIH [P30ES00210]; NIEHS [P42 ES016465]; NSF [AGS-1411214] FX This publication was made possible in part by grant number P30ES00210 from the National Institute of Environmental Health Sciences (NIEHS), NIH, NIEHS grant number P42 ES016465, and NSF grant number AGS-1411214. Its contents are solely the responsibility of the authors and do not necessarily represent the official view of the NIEHS, NIH. We thank Prof. Dan Jaffe from UW-Bothell for atmospheric pollutant and meteorological data for MBO and David Yu of OSU for performing the Ames testing. NR 47 TC 3 Z9 4 U1 10 U2 36 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X EI 1520-5851 J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD DEC 1 PY 2015 VL 49 IS 23 BP 13807 EP 13816 DI 10.1021/acs.est.5b00800 PG 10 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA CX8CP UT WOS:000365930500011 PM 26151337 ER PT J AU Dilmanian, FA Eley, JG Rusek, A Krishnan, S AF Dilmanian, F. Avraham Eley, John G. Rusek, Adam Krishnan, Sunil TI Charged Particle Therapy with Mini-Segmented Beams SO FRONTIERS IN ONCOLOGY LA English DT Article DE proton therapy; light-ion therapy; carbon therapy; proton minibeams; light-ion minibeams; carbon minibeams; tissue-sparing effect; interleaved carbon minibeams ID X-RAY MICROBEAMS; MICROPLANAR BEAMS; MOUSE-BRAIN; RADIATION-THERAPY; SPINAL-CORD; RADIOSURGERY; TISSUE; TUMORS; IRRADIATION; TOLERANCE AB One of the fundamental attributes of proton therapy and carbon ion therapy is the ability of these charged particles to spare tissue distal to the targeted tumor. This significantly reduces normal tissue toxicity and has the potential to translate to a wider therapeutic index. Although, in general, particle therapy also reduces dose to the proximal tissues, particularly in the vicinity of the target, dose to the skin and to other very superficial tissues tends to be higher than that of megavoltage x-rays. The methods presented here, namely, "interleaved carbon minibeams" and "radiosurgery with arrays of proton and light ion minibeams," both utilize beams segmented into arrays of parallel "minibeams" of about 0.3 mm incident-beam size. These minibeam arrays spare tissues, as demonstrated by synchrotron x-ray experiments. An additional feature of particle minibeams is their gradual broadening due to multiple Coulomb scattering as they penetrate tissues. In the case of interleaved carbon minibeams, which do not broaden much, two arrays of planar carbon minibeams that remain parallel at target depth, are aimed at the target from 90 angles and made to "interleave" at the target to produce a solid radiation field within the target. As a result, the surrounding tissues are exposed only to individual carbon minibeam arrays and are therefore spared. The method was used in four-directional geometry at the NASA Space Radiation Laboratory to ablate a 6.5-mm target in a rabbit brain at a single exposure with 40 Gy physical absorbed dose. Contrast enhanced magnetic resonance imaging and histology 6-month later showed very focal target necrosis with nearly no damage to the surrounding brain. As for minibeams of protons and light ions, for which the minibeam broadening is substantial, measurements at MD Anderson Cancer Center in Houston, TX, USA; and Monte Carlo simulations showed that the broadening minibeams will merge with their neighbors at a certain tissue depth to produce a solid beam to treat the target. The resulting sparing of proximal normal tissue allows radiosurgical ablative treatments with smaller impact on the skin and shallow tissues. This report describes these two methods and discusses their potential clinical applications. C1 [Dilmanian, F. Avraham] SUNY Stony Brook, Dept Radiat Oncol, Hlth Sci Ctr, Stony Brook, NY 11794 USA. [Dilmanian, F. Avraham] SUNY Stony Brook, Dept Neurol, Hlth Sci Ctr, Stony Brook, NY 11794 USA. [Dilmanian, F. Avraham] SUNY Stony Brook, Dept Radiol, Hlth Sci Ctr, Stony Brook, NY 11794 USA. [Eley, John G.] Univ Maryland, Sch Med, Dept Radiat Oncol, Baltimore, MD 21201 USA. [Rusek, Adam] Brookhaven Natl Lab, Upton, NY 11973 USA. [Rusek, Adam] NASA, Space Radiat Lab, Upton, NY USA. [Krishnan, Sunil] Univ Texas MD Anderson Canc Ctr, Dept Radiat Oncol, Houston, TX 77030 USA. RP Dilmanian, FA (reprint author), SUNY Stony Brook, Dept Radiat Oncol, Hlth Sci Ctr, Stony Brook, NY 11794 USA. EM avraham.dilmanian@stonybrook.edu FU Musella Brain Tumor Foundation; Voices against Brain Cancer; Concerned Women of the Grove; Stony Brook's Targeted Research Opportunities Program; Radiation Oncology Departments of Stony Brook University; MD Anderson Cancer Center; Stony Brook Cancer Center, Radiation Oncology, and Radiology FX The studies presented in this report were supported by grants from the Musella Brain Tumor Foundation, Voices against Brain Cancer, Concerned Women of the Grove, and the Stony Brook's Targeted Research Opportunities Program. Supports were also provided by the Radiation Oncology Departments of Stony Brook University and MD Anderson Cancer Center. One of us (ED) thanks Stony Brook Cancer Center, Radiation Oncology, and Radiology for support, and one of us (SK) acknowledges the John E. and Dorothy J. Harris Endowment Professorship. We also thank Tiffany Bowman and Katherine Gebhart for assistance with graphic arts. NR 25 TC 0 Z9 0 U1 1 U2 3 PU FRONTIERS MEDIA SA PI LAUSANNE PA PO BOX 110, EPFL INNOVATION PARK, BUILDING I, LAUSANNE, 1015, SWITZERLAND SN 2234-943X J9 FRONT ONCOL JI Front. Oncol. PD DEC 1 PY 2015 VL 5 AR 269 DI 10.3389/fonc.2015.00269 PG 8 WC Oncology SC Oncology GA CY3UO UT WOS:000366335600002 PM 26649281 ER PT J AU Guzman, HJ Xu, WQ Stacchiola, D Vitale, G Scott, CE Rodriguez, JA Pereira-Almao, P AF Guzman, Hector J. Xu, Wenqian Stacchiola, Dario Vitale, Gerardo Scott, Carlos E. Rodriguez, Jose A. Pereira-Almao, Pedro TI Formation of beta-Mo2C below 600 degrees C using MoO2 nanoparticles as precursor SO JOURNAL OF CATALYSIS LA English DT Article DE Molybdenum carbide; Molybdenum dioxide; In-situ XRD; Carburization; Nanoparticles; Synchrotron; Methane; Ethylene glycol ID MOLYBDENUM CARBIDES; CATALYSTS; METHANOL; HYDROGENATION; HYDROGENOLYSIS; OXIDATION; BENZENE; METHYL; ETHANE; MO2C AB In this work MoO2 nanoparticles were prepared using ethylene glycol as a reducing agent and their transformation into the desired phase beta-Mo(2)c (hexagonal) was followed by in-situ X-ray diffraction with synchrotron radiation. CH4/H-2 was employed as carburizing mixture and two different concentrations were tested, 10 and 20% v/v. TEM images obtained indicated that the particle size of the oxide precursor was about 4 nm while the XRD patterns showed that an amorphous phase precipitated along with the crystalline phase. This amorphous phase seemed to decrease the onset temperature of carburization and its transformation started before the crystalline MoO2. On the other hand, an effect from the orientation of the (011), (-211) and (022) faces of the MoO2 precursor toward a less energy demanding transformation might be occurring as well. The carburization process of the amorphous phase/MoO2 nanoparticles started at about 560 degrees C, while in contrast for a commercial MoO2 such process began at the temperature commonly reported in the literature (similar to 670 degrees C). The hexagonal, thermodynamically stable phase of the Mo2C was the main carburization product and no other intermediate phases were detected by XRD. The gas stream of the reaction was analyzed by mass spectrometry indicating the formation of CO and H2O as by-products of the formation of the carbide. (C) 2015 Elsevier Inc. All rights reserved. C1 [Guzman, Hector J.; Vitale, Gerardo] Univ Calgary, Dept Chem, Calgary, AB T2N 1N4, Canada. [Xu, Wenqian; Stacchiola, Dario; Rodriguez, Jose A.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Scott, Carlos E.; Pereira-Almao, Pedro] Univ Calgary, Schulich Sch Engn, Calgary, AB T2N 1N4, Canada. RP Guzman, HJ (reprint author), Univ Calgary, Dept Chem, Calgary, AB T2N 1N4, Canada. EM hguzman64@gmail.com RI Stacchiola, Dario/B-1918-2009 OI Stacchiola, Dario/0000-0001-5494-3205 FU Natural Sciences and Engineering Research Council of Canada (NSERC); Nexen-CNOOC Ltd; Alberta Innovates-Energy and Environment Solutions (AIEES); US Department of the Energy (DOE), Office of Basic Energy Sciences (BES) [DE-AC02-98CH10886] FX The authors want to acknowledge the Natural Sciences and Engineering Research Council of Canada (NSERC), Nexen-CNOOC Ltd, and Alberta Innovates-Energy and Environment Solutions (AIEES) for the financial support provided through the NSERC/NEXEN/AIEES Industrial Research Chair in Catalysis for Bitumen Upgrading. Also, the contribution of facilities from the Canada Foundation for Innovation, the Institute for Sustainable Energy, Environment and Economy, the Schulich School of Engineering and the Faculty of Science at the University of Calgary is greatly appreciated. The work carried out at the Brookhaven National Laboratory (BNL) was possible thanks to the US Department of the Energy (DOE), Office of Basic Energy Sciences (BES; Grant No DE-AC02-98CH10886). Extended thanks to Aaron Johnston-Peck for the STEM images acquired at the Center for Functional Nanomaterials (CFN) at Brookhaven National Laboratory (BNL) and to Dr. Ursula Ehrmann for helpful discussions regarding the mass spectrometry results. NR 32 TC 0 Z9 0 U1 16 U2 82 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9517 EI 1090-2694 J9 J CATAL JI J. Catal. PD DEC PY 2015 VL 332 BP 83 EP 94 DI 10.1016/j.jcat.2015.09.013 PG 12 WC Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA CY0CI UT WOS:000366073500010 ER PT J AU Dama, JF Hocky, GM Sun, R Voth, GA AF Dama, James F. Hocky, Glen M. Sun, Rui Voth, Gregory A. TI Exploring Valleys without Climbing Every Peak: More Efficient and Forgiving Metabasin Metadynamics via Robust On-the-Fly Bias Domain Restriction SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION LA English DT Article ID MOLECULAR-DYNAMICS SIMULATIONS; FREE-ENERGY CALCULATIONS; CLC CHLORIDE CHANNELS; PARTICLE MESH EWALD; RANDOM-WALK; ACTIN; DISTRIBUTIONS; PROTEINS; FORCE; BIOMOLECULES AB Metadynamics is an enhanced sampling method designed to flatten free energy surfaces uniformly. However, the highest-energy regions are often irrelevant to study and dangerous to explore because systems often change irreversibly in unforeseen ways in response to driving forces in these regions, spoiling the sampling. Introducing an on-the-fly domain restriction allows metadynamics to flatten only up to a specified energy level and no further, improving efficiency and safety while decreasing the pressure on practitioners to design collective variables that are robust to otherwise irrelevant high energy driving. This paper describes a new method that achieves this using sequential on-the-fly estimation of energy wells and redefinition of the metadynamics hill shape, termed metabasin metadynamics. The energy level may be defined a priori or relative to unknown barrier energies estimated on-the-fly. Altering only the hill ensures that the method is compatible with many other advances in metadynamics methodology. The hill shape has a natural interpretation in terms of multiscale dynamics, and the computational overhead in simulation is minimal when studying systems of any reasonable size, for instance proteins or other macromolecules. Three example applications show that the formula is accurate and robust to complex dynamics, making metadynamics significantly more forgiving with respect to CV quality and thus more feasible to apply to the most challenging biomolecular systems. C1 [Dama, James F.; Hocky, Glen M.; Sun, Rui; Voth, Gregory A.] Univ Chicago, Dept Chem, James Franck Inst, Inst Biophys Dynam, Chicago, IL 60637 USA. [Dama, James F.; Hocky, Glen M.; Sun, Rui; Voth, Gregory A.] Univ Chicago, Computat Inst, Chicago, IL 60637 USA. [Dama, James F.; Voth, Gregory A.] Los Alamos Natl Lab, Div Theoret, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. RP Voth, GA (reprint author), Univ Chicago, Dept Chem, James Franck Inst, Inst Biophys Dynam, 5735 S Ellis Ave, Chicago, IL 60637 USA. EM gavoth@uchicago.edu RI Hocky, Glen/E-9412-2012 OI Hocky, Glen/0000-0002-5637-0698 FU National Science Foundation through the Center for Multiscale Theory and Simulation (NSF) [CHE-1136709]; NSF [CHE-1465248]; National Institutes of Health (NIH) [R01-GM053148]; Department of Energy through the LANL/LDRD program; National Science Foundation [ACT-1053575] FX This research was supported by the National Science Foundation through the Center for Multiscale Theory and Simulation (NSF Grant CHE-1136709) and NSF Grant CHE-1465248, as well as by the National Institutes of Health (NIH Grant R01-GM053148) and by the Department of Energy through the LANL/LDRD program. Simulations were performed in part using resources provided by the University of Chicago Research Computing Center (Midway) and the San Diego Supercomputing Center (Comet) through the Extreme Science and Engineering Discovery Environment (XSEDE), which is supported by National Science Foundation grant number ACT-1053575. The authors thank Sangyun Lee for his aid in preparing simulations of ClC. NR 83 TC 7 Z9 7 U1 4 U2 13 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 DEC PY 2015 VL 11 IS 12 BP 5638 EP 5650 DI 10.1021/acs.jctc.5b00907 PG 13 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA CY2FE UT WOS:000366223400009 PM 26587809 ER PT J AU van Setten, MJ Caruso, F Sharifzadeh, S Ren, XG Scheffler, M Liu, F Lischner, J Lin, L Deslippe, JR Louie, SG Yang, C Weigend, F Neaton, JB Evers, F Rinke, P AF van Setten, Michiel J. Caruso, Fabio Sharifzadeh, Sahar Ren, Xinguo Scheffler, Matthias Liu, Fang Lischner, Johannes Lin, Lin Deslippe, Jack R. Louie, Steven G. Yang, Chao Weigend, Florian Neaton, Jeffrey B. Evers, Ferdinand Rinke, Patrick TI GW100: Benchmarking G(0)W(0) for Molecular Systems SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION LA English DT Article ID RANDOM-PHASE-APPROXIMATION; DENSITY-FUNCTIONAL THEORY; SPACE GAUSSIAN PSEUDOPOTENTIALS; GREENS-FUNCTIONS THEORY; QUASI-PARTICLE; GW APPROXIMATION; BASIS-SETS; ELECTRONIC EXCITATIONS; IONIZATION-POTENTIALS; DIELECTRIC-CONSTANT AB We present the GW100 set. GW100 is a benchmark set of the ionization potentials and electron affinities of 100 molecules computed with the GW method using three independent GW codes and different GW methodologies. The quasi-particle energies of the highest-occupied molecular orbitals (HOMO) and lowest-unoccupied molecular orbitals (LUMO) are calculated for the GW100 set at the G(0)W(0)@PBE level using the software packages TURBOMOLE, FHI-aims, and BerkeleyGW. The use of these three codes allows for a quantitative comparison of the type of basis set (plane wave or local orbital) and handling of unoccupied states, the treatment of core and valence electrons (all electron or pseudopotentials), the treatment of the frequency dependence of the self-energy (full frequency or more approximate plasmon-pole models), and the algorithm for solving the quasi-particle equation. Primary results include reference values for future benchmarks, best practices for convergence within a particular approach, and average error bars for the most common approximations. C1 [van Setten, Michiel J.] Catholic Univ Louvain, Inst Condensed Matter & Nanosci, Nanoscop Phys, B-1348 Louvain La Neuve, Belgium. [van Setten, Michiel J.; Weigend, Florian] Karlsruhe Inst Technol, Inst Nanotechnol, D-76344 Karlsruhe, Germany. [Weigend, Florian] Karlsruhe Inst Technol, Inst Phys Chem, D-76344 Karlsruhe, Germany. [Caruso, Fabio; Ren, Xinguo; Scheffler, Matthias; Rinke, Patrick] Fritz Haber Inst Max Planck Gesellschaft, Berlin, Germany. [Caruso, Fabio] Univ Oxford, Dept Mat, Oxford OX1 3PH, England. [Sharifzadeh, Sahar; Neaton, Jeffrey B.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. [Lischner, Johannes; Louie, Steven G.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Lin, Lin; Yang, Chao] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA. [Ren, Xinguo] Univ Sci & Technol China, Key Lab Quantum Informat, Hefei 230026, Peoples R China. [Liu, Fang] Cent Univ Finance & Econ, Sch Appl Math, Beijing, Peoples R China. [Lischner, Johannes; Louie, Steven G.; Neaton, Jeffrey B.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Deslippe, Jack R.] Natl Energy Res Sci Comp Ctr, Berkeley, CA 94720 USA. [Neaton, Jeffrey B.] Kavli Energy NanoSci Inst Berkeley, Berkeley, CA 94720 USA. [Evers, Ferdinand] Univ Regensburg, Inst Theoret Phys, D-93040 Regensburg, Germany. [Rinke, Patrick] Aalto Univ, Sch Sci, Dept Appl Phys, COMP, Aalto 00076, Finland. [Sharifzadeh, Sahar] Boston Univ, Div Mat Sci & Engn, Dept Phys, Dept Elect & Comp Engn, Boston, MA 02215 USA. RP van Setten, MJ (reprint author), Catholic Univ Louvain, Inst Condensed Matter & Nanosci, Nanoscop Phys, B-1348 Louvain La Neuve, Belgium. EM michiel.vansetten@uclouvain.be RI Rinke, Patrick/A-4208-2010; Caruso, Fabio/D-5917-2013; Neaton, Jeffrey/F-8578-2015; Ren, Xinguo/N-4768-2014; van Setten, Michiel/B-2766-2008; Scheffler, Matthias/O-4649-2016; Sharifzadeh, Sahar/P-4881-2016 OI Rinke, Patrick/0000-0002-5967-9965; Neaton, Jeffrey/0000-0001-7585-6135; van Setten, Michiel/0000-0003-0557-5260; Sharifzadeh, Sahar/0000-0003-4215-4668 FU Center for Functional Nanostructures (CFN); CPU time allocation at the HC3 cluster at the Karlsruhe Institute of Technology (KIT) Steinbuch Center for Computing (SCC); Academy of Finland through its Centres of Excellence Program [251748]; Scientific Discovery through Advanced Computing (SciDAC) [DE-AC02-05CH11231]; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy FX Financial support by the Center for Functional Nanostructures (CFN) and CPU time allocation at the HC3 cluster at the Karlsruhe Institute of Technology (KIT) Steinbuch Center for Computing (SCC) are gratefully acknowledged. P.R. acknowledges support by the Academy of Finland through its Centres of Excellence Program (Grant 251748). J.B.N, S.S., J.L., S.G.L, and J.R.D. were partially supported by the Scientific Discovery through Advanced Computing (SciDAC) Partnership Program on Excited State Phenomena in Energy Materials funded by the U.S. Department of Energy, Office of Science, and of Advanced Scientific Computing Research under Contract No. DE-AC02-05CH11231 at Lawrence Berkeley National Laboratory. Work performed at the Molecular Foundry was also supported by the Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy. We thank the National Energy Research Scientific Computing Center and Argonne Leadership Computing Facility for computational resources. NR 132 TC 22 Z9 22 U1 10 U2 51 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 DEC PY 2015 VL 11 IS 12 BP 5665 EP 5687 DI 10.1021/acs.jctc.5b00453 PG 23 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA CY2FE UT WOS:000366223400011 PM 26642984 ER PT J AU Fattebert, JL Lau, EY Bennion, BJ Huang, P Lightstone, FC AF Fattebert, Jean-Luc Lau, Edmond Y. Bennion, Brian J. Huang, Patrick Lightstone, Felice C. TI Large-Scale First-Principles Molecular Dynamics Simulations with Electrostatic Embedding: Application to Acetylcholinesterase Catalysis SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION LA English DT Article ID AB-INITIO QM/MM; DENSITY-FUNCTIONAL THEORY; FREE-ENERGY; TRANSITION-STATES; REACTION-PRODUCTS; INTEGRATION; PROTEINS; BINDING; SYSTEMS; MOTION AB Enzymes are complicated solvated systems that typically require many atoms to simulate their function with any degree of accuracy. We have recently developed numerical techniques for large scale first-principles molecular dynamics simulations and applied them to the study of the enzymatic reaction catalyzed by acetylcholinesterase. We carried out density functional theory calculations for a quantum-mechanical (QM) subsystem consisting of 612 atoms with an O(N) complexity finite-difference approach. The QM subsystem is embedded inside an external potential field representing the electrostatic effect due to the environment. We obtained finite-temperature sampling by first-principles molecular dynamics for the acylation reaction of acetylcholine catalyzed by acetylcholinesterase. Our calculations show two energy barriers along the reaction coordinate for the enzyme-catalyzed acylation of acetylcholine. The second barrier (8.5 kcal/mol) is rate-limiting for the acylation reaction and in good agreement with experiment. C1 [Fattebert, Jean-Luc] Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94550 USA. [Lau, Edmond Y.; Bennion, Brian J.; Huang, Patrick; Lightstone, Felice C.] Lawrence Livermore Natl Lab, Phys & Life Sci, Livermore, CA 94550 USA. RP Fattebert, JL (reprint author), Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94550 USA. EM fattebert1@llnl.gov OI Huang, Patrick/0000-0003-4833-8134 FU Defense Threat Reduction Agency [CBS.SCIC.01.10.LLNL.004]; U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX We thank the Defense Threat Reduction Agency for funding (CBS.SCIC.01.10.LLNL.004). We also thank the Livermore Computing Grand Challenge for computer time. 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 45 TC 1 Z9 1 U1 2 U2 10 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 DEC PY 2015 VL 11 IS 12 BP 5688 EP 5695 DI 10.1021/acs.jctc.5b00606 PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA CY2FE UT WOS:000366223400012 PM 26642985 ER PT J AU Closser, KD Ge, QH Mao, YZ Shao, YH Head-Gordon, M AF Closser, Kristina D. Ge, Qinghui Mao, Yuezhi Shao, Yihan Head-Gordon, Martin TI Superposition of Fragment Excitations for Excited States of Large Clusters with Application to Helium Clusters SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION LA English DT Article ID DENSITY-FUNCTIONAL THEORY; 2ND-ORDER PERTURBATION CORRECTIONS; LOCALIZED MOLECULAR-ORBITALS; CONSISTENT-FIELD METHOD; CONFIGURATION-INTERACTION; GEOMETRY OPTIMIZATIONS; 2-ELECTRON INTEGRALS; QUANTUM-CHEMISTRY; CHARGE-TRANSFER; PI-SYSTEMS AB We develop a local excited-state method, based on the configuration interaction singles (CIS) wave function, for large atomic and molecular clusters. This method exploits the properties of absolutely localized molecular orbitals (ALMOs), which strictly limits the total number of excitations, and results in formal scaling with the third power of the system size for computing the full spectrum of ALMO-CIS excited states. The derivation of the equations and design of the algorithm are discussed in detail, with particular emphasis on the computational scaling. Clusters containing similar to 500 atoms were used in evaluating the scaling, which agrees with the theoretical predictions, and the accuracy of the method is evaluated with respect to standard CIS. A pioneering application to the size dependence of the helium cluster spectrum is also presented for clusters of 25-231 atoms, the largest of which results in the computation of 2310 excited states per sampled cluster geometry. C1 [Closser, Kristina D.; Ge, Qinghui; Mao, Yuezhi; Head-Gordon, Martin] Univ Calif Berkeley, Dept Chem, Kenneth S Pitzer Ctr Theoret Chem, Berkeley, CA 94720 USA. [Closser, Kristina D.; Ge, Qinghui; Head-Gordon, Martin] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Shao, Yihan] Q Chem Inc, Pleasanton, CA 94588 USA. RP Head-Gordon, M (reprint author), Univ Calif Berkeley, Dept Chem, Kenneth S Pitzer Ctr Theoret Chem, Berkeley, CA 94720 USA. EM mhg@cchem.berkeley.edu FU Office of Science, Office of Basic Energy Sciences, Chemical Sciences Division of the U.S. Department of Energy [DEAC02-05CH11231] FX This work was supported by the Director, Office of Science, Office of Basic Energy Sciences, Chemical Sciences Division of the U.S. Department of Energy, under Contract No. DEAC02-05CH11231. NR 83 TC 2 Z9 2 U1 6 U2 10 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 DEC PY 2015 VL 11 IS 12 BP 5791 EP 5803 DI 10.1021/acs.jctc.5b00703 PG 13 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA CY2FE UT WOS:000366223400021 PM 26609558 ER PT J AU Zhang, Y Mukamel, S Khalil, M Govind, N AF Zhang, Yu Mukamel, Shaul Khalil, Munira Govind, Niranjan TI Simulating Valence-to-Core X-ray Emission Spectroscopy of Transition Metal Complexes with Time-Dependent Density Functional Theory SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION LA English DT Article ID STATIC-EXCHANGE CALCULATIONS; BASIS-SETS; ABSORPTION SPECTROSCOPY; ELECTRONIC-STRUCTURE; EXCITATION-ENERGIES; LARGE MOLECULES; EXCITED-STATES; SPECTRA; ORBITALS; COORDINATION AB Valence-to-core (VtC) X-ray emission spectroscopy (XES) has emerged as a powerful technique for the structural characterization of complex organometallic compounds in realistic environments. Since the spectrum represents electronic transitions from the ligand molecular orbitals to the core holes of the metal centers, the approach is more chemically sensitive to the metal ligand bonding character compared with conventional X-ray absorption techniques. In this paper we study how linear-response time-dependent density functional theory (LR-TDDFT) can be harnessed to simulate K-edge VtC X-ray emission spectra reliably. LR-TDDFT allows one to go beyond the single-particle picture that has been extensively used to simulate VtC-XES. We involving chromium, manganese, and iron transition metal centers. Our results consider seven low- and high-spin model complexes are in good agreement with experiment. C1 [Zhang, Yu; Mukamel, Shaul] Univ Calif Irvine, Dept Chem, Irvine, CA 92697 USA. [Khalil, Munira] Univ Washington, Dept Chem, Seattle, WA 98195 USA. [Govind, Niranjan] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. RP Zhang, Y (reprint author), Univ Calif Irvine, Dept Chem, Irvine, CA 92697 USA. EM yuz10@uci.edu; smukamel@uci.edu; niri.govind@pnnl.gov FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0012450, KC030102066418]; Office of Biological and Environmental Research; United States Department of Energy under DOE [DE-AC05-76RL1830]; 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 under Award Numbers DE-SC0012450 (Y.Z., S.M., M.K), and KC030102066418 (N.G.). This research was performed using EMSL, a DOE Office of Science User Facility sponsored by the Office of Biological and Environmental Research and located at PNNL. PNNL is operated by Battelle Memorial Institute for the United States Department of Energy under DOE contract number DE-AC05-76RL1830. The research also benefited from resources provided by the National Energy Research Scientific Computing Center (NERSC), 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 55 TC 5 Z9 5 U1 7 U2 33 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 DEC PY 2015 VL 11 IS 12 BP 5804 EP 5809 DI 10.1021/acs.jctc.5b00763 PG 6 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA CY2FE UT WOS:000366223400022 PM 26588191 ER PT J AU Weaver, JD Gutierrez, EJ AF Weaver, Jason D. Gutierrez, Erick J. TI Comparing Rotary Bend Wire Fatigue Test Methods at Different Test Speeds SO JOURNAL OF MATERIALS ENGINEERING AND PERFORMANCE LA English DT Article DE biomaterial; test speed; wire fatigue ID SHAPE-MEMORY ALLOY; NITINOL WIRE; FREQUENCY; DIAMETER; LIFE AB Given its relatively simple setup and ability to produce results quickly, rotary bend fatigue testing is becoming commonplace in the medical device industry and is the subject of a new standard test method ASTM E2948-14. Although some research has been conducted to determine if results differ for different rotary bend fatigue test setups or test speeds, these parameters have not been extensively studied together. In this work, we investigate the effects of these two parameters on the fatigue life of three commonly used medical device alloys (ASTM F2063 nitinol, ASTM F138 stainless steel, and ASTM F1058 cobalt chromium). Results with three different rotary bend fatigue test setups revealed no difference in fatigue life among those setups. Increasing test speed, however, between 100 and 35,000 RPM led to an increased fatigue life for all three alloys studied (average number of cycles to fracture increased between 2.0 and 5.1 times between slowest and fastest test speed). Supplemental uniaxial tension tests of stainless steel wire at varying strain rates showed a strain rate dependence in the mechanical response which could in part explain the increased fatigue life at faster test speeds. How exactly strain rate dependence might affect the fatigue properties of different alloys at different alternating strain values requires further study. Given the difference in loading rates between benchtop fatigue tests and in vivo deformations, the potential for strain rate dependence should be considered when designing durability tests for medical devices and in extrapolating results of those tests to in vivo performance. C1 [Weaver, Jason D.; Gutierrez, Erick J.] US FDA, Div Appl Mech, Ctr Devices & Radiol Hlth, Off Sci & Engn Labs, Silver Spring, MD 20993 USA. [Gutierrez, Erick J.] Oak Ridge Inst Sci & Educ, Oak Ridge, TN USA. RP Weaver, JD (reprint author), US FDA, Div Appl Mech, Ctr Devices & Radiol Hlth, Off Sci & Engn Labs, Silver Spring, MD 20993 USA. EM jason.weaver@fda.hhs.gov FU Division of Applied Mechanics, FDA's Medical Countermeasures Initiative; U.S. Department of Energy; U.S. Food and Drug Administration FX This project was supported by the Division of Applied Mechanics, FDA's Medical Countermeasures Initiative, and an appointment to the Research Participation Program at the Center for Devices and Radiological Health administered by the Oak Ridge Institute for Science and Education through an interagency agreement between the U.S. Department of Energy and the U.S. Food and Drug Administration. The authors would like to thank the following individuals for their thoughtful insights at various stages of this project: Matthew Di Prima, Shiril Sivan, Terry Woods, Kenneth L. Jerina, M. R. Mitchell, and L. D. Timmie Topoleski. NR 23 TC 0 Z9 0 U1 1 U2 3 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1059-9495 EI 1544-1024 J9 J MATER ENG PERFORM JI J. Mater. Eng. Perform. PD DEC PY 2015 VL 24 IS 12 BP 4966 EP 4974 DI 10.1007/s11665-015-1763-z PG 9 WC Materials Science, Multidisciplinary SC Materials Science GA CY0PF UT WOS:000366107300040 ER PT J AU Wojciechowski, KE Baker, MS Clews, PJ Olsson, RH AF Wojciechowski, Kenneth E. Baker, Michael S. Clews, Peggy J. Olsson, Roy H., III TI A Fully Integrated Oven Controlled Microelectromechanical Oscillator-Part I: Design and Fabrication SO JOURNAL OF MICROELECTROMECHANICAL SYSTEMS LA English DT Article DE Oscillator; aluminum nitride (A1N); resonator; oven controlled microelectromechanical oscillator (OCMO); ovenized crystal oscillators (OCXO); turn over temperature ID EMISSIVITY; SILICON AB This paper, the first of two parts, reports the design and fabrication of a fully integrated oven controlled microelectromechanical oscillator (OCMO). This paper begins by describing the limits on oscillator frequency stability imposed by the thermal drift and electronic properties (Q, resistance) of both the resonant tank circuit and feedback electronics required to form an electronic oscillator. An OCMO is presented that takes advantage of high thermal isolation and monolithic integration of both micromechanical resonators and electronic circuitry to thermally stabilize or ovenize all the components that comprise an oscillator. This was achieved by developing a processing technique where both silicon-on-insulator complementary metal-oxide-semiconductor (CMOS) circuitry and piezoelectric aluminum nitride, AlN, micromechanical resonators are placed on a suspended platform within a standard CMOS integrated circuit. Operation at microscale sizes achieves high thermal resistances (similar to 10 degrees C/mW), and hence thermal stabilization of the oscillators at very low-power levels when compared with the state-of-the-art ovenized crystal oscillators, OCXO. A constant resistance feedback circuit is presented that incorporates on platform resistive heaters and temperature sensors to both measure and stabilize the platform temperature. The limits on temperature stability of the OCMO platform and oscillator frequency imposed by the gain of the constant resistance feedback loop, placement of the heater and temperature sensing resistors, as well as platform radiative and convective heat losses are investigated.[2015-0035] C1 [Wojciechowski, Kenneth E.; Baker, Michael S.; Clews, Peggy J.; Olsson, Roy H., III] Sandia Natl Labs, Albuquerque, NM 87123 USA. RP Wojciechowski, KE (reprint author), Sandia Natl Labs, Albuquerque, NM 87123 USA. EM kwojcie@sandia.gov; msbaker@sandia.gov; pjclews@sandia.gov; rholsso@sandia.gov FU Laboratory Directed Research and Development Program at Sandia National Laboratories; Rockwell Collins Inc., Cedar Rapids, IA, USA; Defense Advanced Research Projects Agency (DARPA) Mesodynamic Architectures Program; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was supported by the Laboratory Directed Research and Development Program at Sandia National Laboratories; by Rockwell Collins Inc., Cedar Rapids, IA, USA; and by the Defense Advanced Research Projects Agency (DARPA) Mesodynamic Architectures 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. Subject Editor G. Piazza. NR 26 TC 1 Z9 1 U1 0 U2 6 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1057-7157 EI 1941-0158 J9 J MICROELECTROMECH S JI J. Microelectromech. Syst. PD DEC PY 2015 VL 24 IS 6 BP 1782 EP 1794 DI 10.1109/JMEMS.2015.2441037 PG 13 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Instruments & Instrumentation; Physics, Applied SC Engineering; Science & Technology - Other Topics; Instruments & Instrumentation; Physics GA CX8XB UT WOS:000365987000015 ER PT J AU Wojciechowski, KE Olsson, RH AF Wojciechowski, Kenneth E. Olsson, Roy H., III TI A Fully Integrated Oven Controlled Microelectromechanical Oscillator-Part II: Characterization and Measurement SO JOURNAL OF MICROELECTROMECHANICAL SYSTEMS LA English DT Article DE Oscillator; aluminum nitride; resonator; oven controlled micro electromechanical oscillator (OCMO); oven controlled crystal oscillator (OCXO); turn over temperature AB This paper, the second of two parts, reports the measurement and characterization of a fully integrated oven controlled microelectromechanical oscillator (OCMO). The OCMO takes advantage of high thermal isolation and monolithic integration of both aluminum nitride (AlN) micromechanical resonators and electronic circuitry to thermally stabilize or ovenize all the components that comprise an oscillator. Operation at microscale sizes allows implementation of high thermal resistance platform supports that enable thermal stabilization at very low-power levels when compared with the state-of-the-art oven controlled crystal oscillators. A prototype OCMO has been demonstrated with a measured temperature stability of -1.2 ppb/degrees C, over the commercial temperature range while using tens of milliwatts of supply power and with a volume of 2.3 mm(3) (not including the printed circuit board-based thermal control loop). In addition, due to its small thermal time constant, the thermal compensation loop can maintain stability during fast thermal transients (>10 degrees C/min). This new technology has resulted in a new paradigm in terms of power, size, and warm up time for high thermal stability oscillators. [2015-0036] C1 [Wojciechowski, Kenneth E.; Olsson, Roy H., III] Sandia Natl Labs, Albuquerque, NM 87123 USA. [Olsson, Roy H., III] Def Adv Res Projects Agcy, Arlington, VA 22203 USA. RP Wojciechowski, KE (reprint author), Sandia Natl Labs, Albuquerque, NM 87123 USA. EM kwojcie@sandia.gov; rholsso@sandia.gov FU Laboratory Directed Research and Development Program at Sandia National Laboratories; Rockwell Collins Inc., Cedar Rapids, IA, USA; Defense Advanced Research Projects Agency (DARPA) Mesodynamic Architectures Program; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was supported by the Laboratory Directed Research and Development Program at Sandia National Laboratories, by Rockwell Collins Inc., Cedar Rapids, IA, USA, and by the Defense Advanced Research Projects Agency (DARPA) Mesodynamic Architectures 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. Subject Editor G. Piazza. NR 14 TC 3 Z9 3 U1 0 U2 3 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1057-7157 EI 1941-0158 J9 J MICROELECTROMECH S JI J. Microelectromech. Syst. PD DEC PY 2015 VL 24 IS 6 BP 1795 EP 1802 DI 10.1109/JMEMS.2015.2441045 PG 8 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Instruments & Instrumentation; Physics, Applied SC Engineering; Science & Technology - Other Topics; Instruments & Instrumentation; Physics GA CX8XB UT WOS:000365987000016 ER PT J AU Abraham, PE Wang, XJ Ranjan, P Nookaew, I Zhang, B Tuskan, GA Hettich, RL AF Abraham, Paul E. Wang, Xiaojing Ranjan, Priya Nookaew, Intawat Zhang, Bing Tuskan, Gerald A. Hettich, Robert L. TI Integrating mRNA and Protein Sequencing Enables the Detection and Quantitative Profiling of Natural Protein Sequence Variants of Populus trichocarpa SO JOURNAL OF PROTEOME RESEARCH LA English DT Article DE natural variants; mass spectrometry; shotgun proteomics; RNA sequencing; genotype-specific protein database ID GENOME-WIDE ASSOCIATION; SEQ DATA; PEPTIDE IDENTIFICATION; SHOTGUN PROTEOMICS; BLACK COTTONWOOD; SELECTION; TRAITS; TRANSCRIPTOMES; DATABASES; DISEASES AB Next-generation sequencing has transformed the ability to link genotypes to phenotypes and facilitates the dissection of genetic contribution to complex traits. However, it is challenging to link genetic variants with the perturbed functional effects on proteins encoded by such genes. Here we show how RNA sequencing can be exploited to construct genotype-specific protein sequence databases to assess natural variation in proteins, providing information about the molecular toolbox driving cellular processes. For this study, we used two natural genotypes selected from a recent genomewide association study of Populus trichoccupa, an obligate outcrosser with tremendous phenotypic variation across the natural population. This strategy allowed us to comprehensively catalogue proteins containing single amino acid polymorphisms (SAAPs), as well as insertions and deletions. We profiled the frequency of 128 types of naturally occurring amino acid substitutions, including both expected (neutral) and unexpected (non-neutral) SAAPs, with a subset occurring in regions of the genome having strong polymorphism patterns consistent with recent positive and/or divergent selection. By zeroing in on the molecular signatures of these important regions that might have previously been uncharacterized, we now provide a high-resolution molecular inventory that should improve accessibility and subsequent identification of natural protein variants in future genotype-to-phenotype studies. C1 [Abraham, Paul E.; Ranjan, Priya; Hettich, Robert L.] Oak Ridge Natl Lab, Chem Sci Div, Oak Ridge, TN 37831 USA. [Nookaew, Intawat; Tuskan, Gerald A.] Oak Ridge Natl Lab, Div Biol Sci, Oak Ridge, TN 37831 USA. [Wang, Xiaojing; Zhang, Bing] Vanderbilt Univ, Sch Med, Dept Biomed Informat, Nashville, TN 37232 USA. RP Hettich, RL (reprint author), Oak Ridge Natl Lab, Chem Sci Div, Oak Ridge, TN 37831 USA. EM hettichrl@ornl.gov RI Abraham, Paul/K-5599-2015; Hettich, Robert/N-1458-2016; Tuskan, Gerald/A-6225-2011 OI Hettich, Robert/0000-0001-7708-786X; Tuskan, Gerald/0000-0003-0106-1289 FU BioEnergy Science Center; U.S. Department of Energy Bioenergy Research Facility - Office of Biological and Environmental Research, Genome Sciences program in the DOE Office of Science FX This study was funded within the BioEnergy Science Center, a U.S. Department of Energy Bioenergy Research Facility supported by the Office of Biological and Environmental Research, Genome Sciences program, in the DOE Office of Science. University of Tennessee-Battelle LLC manages Oak Ridge National Laboratory for the Department of Energy. NR 45 TC 0 Z9 0 U1 0 U2 3 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1535-3893 EI 1535-3907 J9 J PROTEOME RES JI J. Proteome Res. PD DEC PY 2015 VL 14 IS 12 BP 5318 EP 5326 DI 10.1021/acs.jproteome.5b00823 PG 9 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA CY1FJ UT WOS:000366151800035 PM 26483142 ER PT J AU Venkatesan, GA Lee, J Farimani, AB Heiranian, M Collier, CP Aluru, NR Sarles, SA AF Venkatesan, Guru A. Lee, Joonho Farimani, Amir Barati Heiranian, Mohammad Collier, C. Patrick Aluru, Narayana R. Sarles, Stephen A. TI Adsorption Kinetics Dictate Mono layer Self-Assembly for Both Lipid-In and Lipid-Out Approaches to Droplet Interface Bilayer Formation SO LANGMUIR LA English DT Article ID DYNAMIC SURFACE-TENSION; AIR-WATER-INTERFACE; AIR/WATER INTERFACE; REVERSE MICELLES; PHOSPHOLIPIDS; MONOLAYERS; SYSTEMS; OIL; CAPACITANCE; PARAMETERS AB The droplet interface bilayer (DIB)a method to assemble planar lipid bilayer membranes between lipid-coated aqueous dropletshas gained popularity among researchers in many fields. Well-packed lipid monolayer on aqueous dropletoil interfaces is a prerequisite for successfully assembling DIBs. Such monolayers can be achieved by two different techniques: lipid-in, in which phospholipids in the form of liposomes are placed in water, and lipid-out, in which phospholipids are placed in oil as inverse micelles. While both approaches are capable of monolayer assembly needed for bilayer formation, droplet pairs assembled with these two techniques require significantly different incubation periods and exhibit different success rates for bilayer formation. In this study, we combine experimental interfacial tension measurements with molecular dynamics simulations of phospholipids (DPhPC and DOPC) assembled from water and oil origins to understand the differences in kinetics of monolayer formation. With the results from simulations and by using a simplified model to analyze dynamic interfacial tensions, we conclude that, at high lipid concentrations common to DIBs, monolayer formation is simple adsorption controlled for lipid-in technique, whereas it is predominantly adsorption-barrier controlled for the lipid-out technique due to the interaction of interface-bound lipids with lipid structures in the subsurface. The adsorption barrier established in lipid-out technique leads to a prolonged incubation time and lower bilayer formation success rate, proving a good correlation between interfacial tension measurements and bilayer formation. We also clarify that advective flow expedites monolayer formation and improves bilayer formation success rate by disrupting lipid structures, rather than enhancing diffusion, in the subsurface and at the interface for lipid-out technique. Additionally, electrical properties of DIBs formed with varying lipid placement and type are characterized. C1 [Venkatesan, Guru A.; Sarles, Stephen A.] Univ Tennessee, Dept Mech Aerosp & Biomed Engn, Knoxville, TN 37996 USA. [Lee, Joonho; Farimani, Amir Barati; Heiranian, Mohammad; Aluru, Narayana R.] Univ Illinois, Dept Mech Sci & Engn, Urbana, IL 61801 USA. [Collier, C. Patrick] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Sarles, SA (reprint author), 1512 Middle Dr,414 Dougherty Engn Bldg, Knoxville, TN 37996 USA. EM ssarles@utk.edu RI Aluru, N/A-4617-2014; Collier, Charles/C-9206-2016; Barati Farimani, Amir/F-2356-2013 OI Collier, Charles/0000-0002-8198-793X; Barati Farimani, Amir/0000-0002-2952-8576 FU Air Force Office of Scientific Research, Basic Research Initiative [FA9550-12-1-0464] FX The authors gratefully acknowledge financial support from Air Force Office of Scientific Research, Basic Research Initiative Grant Number FA9550-12-1-0464. Pendant drop measurements of interfacial tensions of lipid monolayers were conducted at the Center for Nanophase Materials Sciences, which is a DOE Office of Science User Facility. NR 61 TC 6 Z9 6 U1 5 U2 22 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD DEC 1 PY 2015 VL 31 IS 47 BP 12883 EP 12893 DI 10.1021/acs.langmuir.5b02293 PG 11 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA CX8CT UT WOS:000365930900006 PM 26556227 ER PT J AU Xia, Y Li, M Charubin, K Liu, Y Heberle, FA Katsaras, J Jing, BX Zhu, YX Nieh, MP AF Xia, Yan Li, Ming Charubin, Kamil Liu, Ying Heberle, Frederick A. Katsaras, John Jing, Benxin Zhu, Yingxi Nieh, Mu-Ping TI Effects of Nanoparticle Morphology and Acyl Chain Length on Spontaneous Lipid Transfer Rates SO LANGMUIR LA English DT Article ID FLUORESCENCE CORRELATION SPECTROSCOPY; LARGE UNILAMELLAR VESICLES; DIFFERENTIAL SCANNING CALORIMETRY; DIBLOCK COPOLYMER MICELLES; DYNAMIC LIGHT-SCATTERING; FLIP-FLOP; PHOSPHOLIPID MICELLES; MOLECULAR-EXCHANGE; MODEL MEMBRANES; NMR AB We report on studies of lipid transfer rates between different morphology nanoparticles and lipids with different length acyl chains. The lipid transfer rate of dimyristoylphosphatidylcholine (di-C-14, DMPC) in discoidal bicelles (0.156 h(-1)) is 2 orders of magnitude greater than that of DMPC vesicles (ULVs) (1.1 X 10(-3) h(-1)). For both bicellar and ULV morphologies, increasing the acyl chain length by two carbons [going from di-C-14 DMPC to di-C16, dipalmitoylphosphatidylcholine (DPPC)] causes lipid transfer rates to decrease by more than 2 orders of magnitude. Results from small angle neutron scattering (SANS), differential scanning calorimetry (DSC), and fluorescence correlation spectroscopy (FCS) are in good agreement. The present studies highlight the importance of lipid dynamic processes taking place in different morphology biomimetic membranes. C1 [Xia, Yan; Charubin, Kamil; Liu, Ying; Nieh, Mu-Ping] Univ Connecticut, Dept Chem & Biomol Engn, Storrs, CT 06269 USA. [Li, Ming; Nieh, Mu-Ping] Univ Connecticut, Inst Mat Sci, Polymer Program, Storrs, CT 06269 USA. [Heberle, Frederick A.; Katsaras, John] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Katsaras, John] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Heberle, Frederick A.; Katsaras, John] Oak Ridge Natl Lab, Joint Inst Neutron Sci, Oak Ridge, TN 37831 USA. [Jing, Benxin; Zhu, Yingxi] Univ Notre Dame, Dept Chem & Biomol Engn, Notre Dame, IN 46556 USA. [Nieh, Mu-Ping] Univ Connecticut, Dept Biomed Engn, Storrs, CT 06269 USA. [Zhu, Yingxi] Wayne State Univ, Dept Chem Engn & Mat Sci, Detroit, MI 48202 USA. RP Nieh, MP (reprint author), Univ Connecticut, Dept Chem & Biomol Engn, Storrs, CT 06269 USA. EM mu-ping.nieh@uconn.edu RI Jing, Benxin/I-4944-2014; OI Jing, Benxin/0000-0002-8400-1937; Katsaras, John/0000-0002-8937-4177 FU NSF-CMMI [1131587]; CBET [1433903]; Scientific User Facilities Division of the US Department of Energy (DOE), Office of Basic Energy Sciences (BES) [DE-AC05 00OR2275]; Scientific User Facilities Division of the DOE Office of Basic Energy Sciences (BES); US Department of Energy, Office of Basic Energy Science, Division of Materials Science and Engineering [DE-FG02-07ER46390] FX The authors from UCONN would like to acknowledge the financial support from NSF-CMMI 1131587 and CBET 1433903. This work acknowledges additional support from the Scientific User Facilities Division of the US Department of Energy (DOE), Office of Basic Energy Sciences (BES), for use of the EQ-SANS instrument at the ORNL Spallation Neutron Source (SNS), which is managed by UT-Battelle, LLC, under Contract DE-AC05 00OR2275. J.K. is supported through the Scientific User Facilities Division of the DOE Office of Basic Energy Sciences (BES). The authors also wish to acknowledge the support received from Drs. C. Gao and W.T. Heller while conducting their experiments at the EQ-SANS facility. B.J. and Y.Z. also acknowledge the financial support from the US Department of Energy, Office of Basic Energy Science, Division of Materials Science and Engineering (DE-FG02-07ER46390). NR 60 TC 1 Z9 1 U1 9 U2 23 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD DEC 1 PY 2015 VL 31 IS 47 BP 12920 EP 12928 DI 10.1021/acs.langmuir.5b03291 PG 9 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA CX8CT UT WOS:000365930900010 PM 26540211 ER PT J AU Amin, DN Ahuja, D Yaswen, P Moasser, MM AF Amin, Dhara N. Ahuja, Deepika Yaswen, Paul Moasser, Mark M. TI A TORC2-Akt Feed-Forward Topology Underlies HER3 Resiliency in HER2-Amplified Cancers SO MOLECULAR CANCER THERAPEUTICS LA English DT Article ID METASTATIC BREAST-CANCER; TYROSINE KINASE INHIBITOR; MAMMARY EPITHELIAL-CELLS; EPIDERMAL-GROWTH-FACTOR; COMPLEX 2 MTORC2; POSITIVE-FEEDBACK; PROTEIN-KINASE; PHASE-II; LAPATINIB MONOTHERAPY; NEGATIVE FEEDBACK AB The requisite role of HER3 in HER2-amplified cancers is beyond what would be expected as a dimerization partner or effector substrate and it exhibits a substantial degree of resiliency that mitigates the effects of HER2-inhibitor therapies. To better understand the roots of this resiliency, we conducted an in-depth chemical-genetic interrogation of the signaling network downstream of HER3. A unique attribute of these tumors is the deregulation of TORC2. The upstream signals that ordinarily maintain TORC2 signaling are lost in these tumors, and instead TORC2 is driven by Akt. We find that in these cancers HER3 functions as a buffering arm of an Akt-TORC2 feed-forward loop that functions as a self-perpetuating module. This network topology alters the role of HER3 from a conditionally engaged ligand-driven upstream physiologic signaling input to an essential component of a concentric signaling throughput highly competent at preservation of homeostasis. The competence of this signaling topology is evident in its response to perturbation at any of its nodes. Thus, a critical pathophysiologic event in the evolution of HER2-amplified cancers is the loss of the input signals that normally drive TORC2 signaling, repositioning it under Akt dependency, and fundamentally altering the role of HER3. This reprogramming of the downstream network topology is a key aspect in the pathogenesis of HER2-amplified cancers and constitutes a formidable barrier in the targeted therapy of these cancers. (C)2015 AACR. C1 [Amin, Dhara N.; Ahuja, Deepika; Moasser, Mark M.] Univ Calif San Francisco, Helen Diller Family Comprehens Canc Ctr, Dept Med, San Francisco, CA 94143 USA. [Yaswen, Paul] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Moasser, MM (reprint author), Univ Calif San Francisco, Helen Diller Family Comprehens Canc Ctr, Box 1387, San Francisco, CA 94143 USA. EM mark.moasser@ucsf.edu FU National Institutes of Health [CA 122216, CA 112970]; California Breast Cancer Research Program [18IB-0030] FX M.M. Moasser and this project were funded by the National Institutes of Health (CA 122216 and CA 112970), and the California Breast Cancer Research Program (18IB-0030). NR 61 TC 0 Z9 0 U1 0 U2 0 PU AMER ASSOC CANCER RESEARCH PI PHILADELPHIA PA 615 CHESTNUT ST, 17TH FLOOR, PHILADELPHIA, PA 19106-4404 USA SN 1535-7163 EI 1538-8514 J9 MOL CANCER THER JI Mol. Cancer Ther. PD DEC PY 2015 VL 14 IS 12 BP 2805 EP 2817 DI 10.1158/1535-7163.MCT-15-0403 PG 13 WC Oncology SC Oncology GA CX9VZ UT WOS:000366055100014 PM 26438156 ER PT J AU Pi, M Kapoor, K Wu, YP Ye, RS Senogles, SE Nishimoto, SK Hwang, DJ Miller, DD Narayanan, R Smith, JC Baudry, J Quarles, LD AF Pi, Min Kapoor, Karan Wu, Yunpeng Ye, Ruisong Senogles, Susan E. Nishimoto, Satoru K. Hwang, Dong-Jin Miller, Duane D. Narayanan, Ramesh Smith, Jeremy C. Baudry, Jerome Quarles, L. Darryl TI Structural and Functional Evidence for Testosterone Activation of GPRC6A in Peripheral Tissues SO MOLECULAR ENDOCRINOLOGY LA English DT Article ID ANDROGEN RECEPTOR MODULATORS; PROTEIN-COUPLED RECEPTOR; PROSTATE-CANCER; IN-VIVO; SIGNALING PATHWAYS; METABOLIC SYNDROME; CELL-LINES; NULL MICE; B-RING; OSTEOCALCIN AB G protein-coupled receptor (GPCR) family C group 6 member A (GPRC6A) is a multiligand GPCR that is activated by cations, L-amino acids, and osteocalcin. GPRC6A plays an important role in the regulation of testosterone (T) production and energy metabolism in mice. T has rapid, transcription-independent (nongenomic) effects that are mediated by a putative GPCR. We previously found that T can activate GPRC6A in vitro, but the possibility that T is a ligand for GPRC6A remains controversial. Here, we demonstrate direct T binding to GPRC6A and construct computational structural models of GPRC6A that are used to identify potential binding poses of T. Mutations of the predicted binding site residues were experimentally found to block T activation of GPRC6A, in agreement with the modeling. Using Gpr6ca(-/-) mice, we confirmed that loss of GPRC6A resulted in loss of T rapid signaling responses and elucidated several biological functions regulated by GPRC6A-dependent T rapid signaling, including T stimulation of insulin secretion in pancreatic islets and enzyme expression involved in the biosynthesis of T in Leydig cells. Finally, we identified a stereo-specific effect of an R-isomer of a selective androgen receptor modulator that is predicted to bind to and shown to activate GPRC6A but not androgen receptor. Together, our data show that GPRC6A directly mediates the rapid signaling response to T and uncovers previously unrecognized endocrine networks. C1 [Pi, Min; Wu, Yunpeng; Ye, Ruisong; Narayanan, Ramesh; Quarles, L. Darryl] Univ Tennessee, Hlth Sci Ctr, Dept Med, Coll Pharm, Memphis, TN 38163 USA. [Senogles, Susan E.; Nishimoto, Satoru K.] Univ Tennessee, Hlth Sci Ctr, Dept Microbiol Immunol & Biochem, Coll Pharm, Memphis, TN 38163 USA. [Hwang, Dong-Jin; Miller, Duane D.] Univ Tennessee, Hlth Sci Ctr, Dept Pharmaceut Sci, Coll Pharm, Memphis, TN 38163 USA. [Kapoor, Karan; Smith, Jeremy C.; Baudry, Jerome] Univ Tennessee, Oak Ridge Natl Lab, Ctr Biophys Mol, Oak Ridge, TN 37830 USA. [Smith, Jeremy C.; Baudry, Jerome] Univ Tennessee, Dept Biochem & Cellular & Mol Biol, Knoxville, TN 37996 USA. RP Pi, M (reprint author), Univ Tennessee, Hlth Sci Ctr, Dept Med, 19 South Manassas St, Memphis, TN 38163 USA. EM mpi@uthsc.edu; dquarles@uthsc.edu RI smith, jeremy/B-7287-2012 OI smith, jeremy/0000-0002-2978-3227 FU National Institutes of Health [R01-AR37308]; Americans Diabetes Association [1-13-BS-149-BR] FX This work was supported by National Institutes of Health Grant R01-AR37308 and Americans Diabetes Association Grant 1-13-BS-149-BR. NR 67 TC 6 Z9 6 U1 0 U2 3 PU ENDOCRINE SOC PI WASHINGTON PA 2055 L ST NW, SUITE 600, WASHINGTON, DC 20036 USA SN 0888-8809 J9 MOL ENDOCRINOL JI Mol. Endocrinol. PD DEC PY 2015 VL 29 IS 12 BP 1759 EP 1773 DI 10.1210/me.2015-1161 PG 15 WC Endocrinology & Metabolism SC Endocrinology & Metabolism GA CY6IC UT WOS:000366511400009 PM 26440882 ER PT J AU Alexandrov, LB Jones, PH Wedge, DC Sale, JE Campbell, PJ Nik-Zainal, S Stratton, MR AF Alexandrov, Ludmil B. Jones, Philip H. Wedge, David C. Sale, Julian E. Campbell, Peter J. Nik-Zainal, Serena Stratton, Michael R. TI Clock-like mutational processes in human somatic cells SO NATURE GENETICS LA English DT Article ID BREAST-CANCER; LEAST-SQUARES; SIGNATURES; GENOME; MECHANISMS; EVOLUTION; REVEALS; ORIGIN; AGE AB During the course of a lifetime, somatic cells acquire mutations. Different mutational processes may contribute to the mutations accumulated in a cell, with each imprinting a mutational signature on the cell's genome. Some processes generate mutations throughout life at a constant rate in all individuals, and the number of mutations in a cell attributable to these processes will be proportional to the chronological age of the person. Using mutations from 10,250 cancer genomes across 36 cancer types, we investigated clock-like mutational processes that have been operating in normal human cells. Two mutational signatures show clock-like properties. Both exhibit different mutation rates in different tissues. However, their mutation rates are not correlated, indicating that the underlying processes are subject to different biological influences. For one signature, the rate of cell division may influence its mutation rate. This study provides the first survey of clock-like mutational processes operating in human somatic cells. C1 [Alexandrov, Ludmil B.; Jones, Philip H.; Wedge, David C.; Campbell, Peter J.; Nik-Zainal, Serena; Stratton, Michael R.] Wellcome Trust Sanger Inst, Canc Genome Project, Hinxton, England. [Alexandrov, Ludmil B.] Los Alamos Natl Lab, Theoret Biol & Biophys T6, Los Alamos, NM USA. [Alexandrov, Ludmil B.] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. [Jones, Philip H.] Univ Cambridge, Hutchison MRC Res Ctr, Canc Unit, MRC, Cambridge, England. [Sale, Julian E.] MRC, Mol Biol Lab, Cambridge CB2 2QH, England. [Campbell, Peter J.] Univ Cambridge, Dept Haematol, Cambridge, England. [Nik-Zainal, Serena] Addenbrookes Hosp Natl Hlth Serv NHS Trust, Dept Med Genet, Cambridge, England. RP Alexandrov, LB (reprint author), Wellcome Trust Sanger Inst, Canc Genome Project, Hinxton, England. EM lba@lanl.gov; mrs@sanger.ac.uk OI Wedge, David/0000-0002-7572-3196; Alexandrov, Ludmil/0000-0003-3596-4515; Jones, Philip H/0000-0002-5904-795X FU Wellcome Trust [098051, C609/A17257]; Wellcome Trust Intermediate Fellowship [WT100183MA]; Wellcome Trust Senior Clinical Research Fellowship [WT088340MA]; MRC grant [MC_U105178808]; J. Robert Oppenheimer Fellowship at Los Alamos National Laboratory; US Department of Energy National Nuclear Security Administration [DE-AC52-06NA25396]; National Nuclear Security Administration of the US Department of Energy FX We would like to thank M.E. Hurles and R. Durbin for early discussions about the analyses performed. We would like to thank The Cancer Genome Atlas (TCGA), the International Cancer Genome Consortium (ICGC) and the authors of all previous studies cited in Supplementary Data Set 1 for providing free access to their somatic mutational data. This work was supported by the Wellcome Trust (grant 098051). S.N.-Z. is a Wellcome-Beit Prize Fellow and is supported through a Wellcome Trust Intermediate Fellowship (grant WT100183MA). P.J.C. is personally funded through a Wellcome Trust Senior Clinical Research Fellowship (grant WT088340MA). J.E.S. is supported by an MRC grant to the Laboratory of Molecular Biology (MC_U105178808). L.B.A. is supported through a J. Robert Oppenheimer Fellowship at Los Alamos National Laboratory. P.H.J. is supported by the Wellcome Trust, an MRC Grant-in-Aid and Cancer Research UK (programme grant C609/A17257). This research used resources provided by the Los Alamos National Laboratory Institutional Computing Program, which is supported by the US Department of Energy National Nuclear Security Administration under contract DE-AC52-06NA25396. 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. NR 27 TC 38 Z9 38 U1 1 U2 15 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 1061-4036 EI 1546-1718 J9 NAT GENET JI Nature Genet. PD DEC PY 2015 VL 47 IS 12 BP 1402 EP + DI 10.1038/ng.3441 PG 9 WC Genetics & Heredity SC Genetics & Heredity GA CX6LT UT WOS:000365813200010 PM 26551669 ER PT J AU Ming, R VanBuren, R Wai, CM Tang, HB Schatz, MC Bowers, JE Lyons, E Wang, ML Chen, J Biggers, E Zhang, JS Huang, LX Zhang, LM Miao, WJ Zhang, J Ye, ZY Miao, CY Lin, ZC Wang, H Zhou, HY Yim, WC Priest, HD Zheng, CF Woodhouse, M Edger, PP Guyot, R Guo, HB Guo, H Zheng, GY Singh, R Sharma, A Min, XJ Zheng, Y Lee, H Gurtowski, J Sedlazeck, FJ Harkess, A McKain, MR Liao, ZY Fang, JP Liu, J Zhang, XD Zhang, Q Hu, WC Qin, Y Wang, K Chen, LY Shirley, N Lin, YR Liu, LY Hernandez, AG Wright, CL Bulone, V Tuskan, GA Heath, K Zee, F Moore, PH Sunkar, R Leebens-Mack, JH Mockler, T Bennetzen, JL Freeling, M Sankoff, D Paterson, AH Zhu, XG Yang, XH Smith, JAC Cushman, JC Paull, RE Yu, QY AF Ming, Ray VanBuren, Robert Wai, Ching Man Tang, Haibao Schatz, Michael C. Bowers, John E. Lyons, Eric Wang, Ming-Li Chen, Jung Biggers, Eric Zhang, Jisen Huang, Lixian Zhang, Lingmao Miao, Wenjing Zhang, Jian Ye, Zhangyao Miao, Chenyong Lin, Zhicong Wang, Hao Zhou, Hongye Yim, Won C. Priest, Henry D. Zheng, Chunfang Woodhouse, Margaret Edger, Patrick P. Guyot, Romain Guo, Hao-Bo Guo, Hong Zheng, Guangyong Singh, Ratnesh Sharma, Anupma Min, Xiangjia Zheng, Yun Lee, Hayan Gurtowski, James Sedlazeck, Fritz J. Harkess, Alex McKain, Michael R. Liao, Zhenyang Fang, Jingping Liu, Juan Zhang, Xiaodan Zhang, Qing Hu, Weichang Qin, Yuan Wang, Kai Chen, Li-Yu Shirley, Neil Lin, Yann-Rong Liu, Li-Yu Hernandez, Alvaro G. Wright, Chris L. Bulone, Vincent Tuskan, Gerald A. Heath, Katy Zee, Francis Moore, Paul H. Sunkar, Ramanjulu Leebens-Mack, James H. Mockler, Todd Bennetzen, Jeffrey L. Freeling, Michael Sankoff, David Paterson, Andrew H. Zhu, Xinguang Yang, Xiaohan Smith, J. Andrew C. Cushman, John C. Paull, Robert E. Yu, Qingyi TI The pineapple genome and the evolution of CAM photosynthesis SO NATURE GENETICS LA English DT Article ID CRASSULACEAN ACID METABOLISM; LTR RETROTRANSPOSONS; EXPRESSION ANALYSIS; ANANAS-COMOSUS; GENE; SEQUENCE; PLANTS; ARABIDOPSIS; IDENTIFICATION; DIVERGENCE AB Pineapple (Ananas comosus (L.) Merr.) is the most economically valuable crop possessing crassulacean acid metabolism (CAM), a photosynthetic carbon assimilation pathway with high water-use efficiency, and the second most important tropical fruit. We sequenced the genomes of pineapple varieties F153 and MD2 and a wild pineapple relative, Ananas bracteatus accession CB5. The pineapple genome has one fewer ancient whole-genome duplication event than sequenced grass genomes and a conserved karyotype with seven chromosomes from before the. duplication event. The pineapple lineage has transitioned from C-3 photosynthesis to CAM, with CAM-related genes exhibiting a diel expression pattern in photosynthetic tissues. CAM pathway genes were enriched with cis-regulatory elements associated with the regulation of circadian clock genes, providing the first cis-regulatory link between CAM and circadian clock regulation. Pineapple CAM photosynthesis evolved by the reconfiguration of pathways in C-3 plants, through the regulatory neofunctionalization of preexisting genes and not through the acquisition of neofunctionalized genes via whole-genome or tandem gene duplication. C1 [Ming, Ray; VanBuren, Robert; Wai, Ching Man; Tang, Haibao; Zhang, Jisen; Huang, Lixian; Zhang, Lingmao; Miao, Wenjing; Zhang, Jian; Ye, Zhangyao; Miao, Chenyong; Lin, Zhicong; Liao, Zhenyang; Fang, Jingping; Liu, Juan; Zhang, Xiaodan; Zhang, Qing; Hu, Weichang; Qin, Yuan; Wang, Kai; Chen, Li-Yu] Fujian Agr & Forestry Univ, Fujian Agr & Forestry Univ & Univ Illinois Urbana, Fuzhou, Peoples R China. [Ming, Ray; VanBuren, Robert; Wai, Ching Man; Tang, Haibao; Zhang, Jisen; Huang, Lixian; Zhang, Lingmao; Miao, Wenjing; Zhang, Jian; Ye, Zhangyao; Miao, Chenyong; Lin, Zhicong; Liao, Zhenyang; Fang, Jingping; Liu, Juan; Zhang, Xiaodan; Zhang, Qing; Hu, Weichang; Qin, Yuan; Wang, Kai; Chen, Li-Yu] Fujian Agr & Forestry Univ, Fujian Taiwan Joint Ctr Ecol Control Crop Pests, Fuzhou, Peoples R China. [Ming, Ray; VanBuren, Robert; Wai, Ching Man; Heath, Katy] Univ Illinois, Dept Plant Biol, Urbana, IL USA. [VanBuren, Robert; Priest, Henry D.; McKain, Michael R.; Mockler, Todd] Donald Danforth Plant Sci Ctr, St Louis, MO USA. [Tang, Haibao; Lyons, Eric] Univ Arizona, iPlant Collaborat, Tucson, AZ USA. [Schatz, Michael C.; Biggers, Eric; Lee, Hayan; Gurtowski, James; Sedlazeck, Fritz J.] Cold Spring Harbor Lab, Cold Spring Harbor, NY 11724 USA. [Bowers, John E.; Wang, Hao; Zhou, Hongye; Harkess, Alex; Leebens-Mack, James H.; Bennetzen, Jeffrey L.] Univ Georgia, Dept Plant Biol, Athens, GA 30602 USA. [Wang, Ming-Li; Moore, Paul H.] Hawaii Agr Res Ctr, Kunia, HI USA. [Chen, Jung; Paull, Robert E.] Univ Hawaii, Dept Trop Plant & Soil Sci, Honolulu, HI 96822 USA. [Yim, Won C.; Cushman, John C.] Univ Nevada, Dept Biochem & Mol Biol, Reno, NV 89557 USA. [Zheng, Chunfang; Sankoff, David] Univ Ottawa, Dept Math & Stat, Ottawa, ON, Canada. [Woodhouse, Margaret; Edger, Patrick P.; Freeling, Michael] Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA. [Guyot, Romain] IRD, Divers Adaptat & Dev Plantes, Montpellier, France. [Guo, Hao-Bo; Guo, Hong] Univ Tennessee, Dept Biochem & Cellular & Mol Biol, Knoxville, TN USA. [Zheng, Guangyong; Zhu, Xinguang] Chinese Acad Sci, Shanghai Inst Biol Sci, Max Planck Gesell Partner Inst Computat Biol, Key Lab Computat Biol, Shanghai, Peoples R China. [Singh, Ratnesh; Sharma, Anupma; Yu, Qingyi] Texas A&M Univ Syst, Dept Plant Pathol & Microbiol, Texas A&M AgriLife Res, Dallas, TX USA. [Min, Xiangjia] Youngstown State Univ, Dept Biol Sci, Youngstown, OH 44555 USA. [Zheng, Yun] Kunming Univ Sci & Technol, Fac Life Sci & Technol, Kunming, Peoples R China. [Shirley, Neil; Bulone, Vincent] Univ Adelaide, Sch Agr Food & Wine, Australian Res Council ARC Ctr Excellence Plant C, Adelaide, SA, Australia. [Lin, Yann-Rong; Liu, Li-Yu] Natl Taiwan Univ, Dept Agron, Taipei, Taiwan. [Hernandez, Alvaro G.; Wright, Chris L.] Univ Illinois, WM Keck Ctr, Urbana, IL USA. [Tuskan, Gerald A.; Yang, Xiaohan] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN USA. [Zee, Francis] USDA ARS, Pacific Basin Agr Res Ctr, Hilo, HI USA. [Sunkar, Ramanjulu] Oklahoma State Univ, Dept Biochem & Mol Biol, Noble Res Ctr, Stillwater, OK 74078 USA. [Paterson, Andrew H.] Univ Georgia, Plant Genome Mapping Lab, Athens, GA 30602 USA. [Smith, J. Andrew C.] Univ Oxford, Dept Plant Sci, Oxford, England. RP Ming, R (reprint author), Fujian Agr & Forestry Univ, Fujian Agr & Forestry Univ & Univ Illinois Urbana, Fuzhou, Peoples R China. EM rming@life.uiuc.edu; qyu@ag.tamu.edu RI Bowers, John/B-9245-2009; Mockler, Todd/L-2609-2013; guyot, romain/M-1118-2015; Guo, Hao-Bo/B-7486-2009; Yim, Won Cheol/K-9100-2016; Tuskan, Gerald/A-6225-2011; Zheng, Yun/I-7011-2012; Bulone, Vincent/D-7469-2013; Yang, Xiaohan/A-6975-2011; OI Sedlazeck, Fritz/0000-0001-6040-2691; Miao, Chenyong/0000-0002-0904-3707; Singh, Ratnesh/0000-0001-5647-3390; Min, Xiangjia/0000-0001-7978-0596; Mockler, Todd/0000-0002-0462-5775; guyot, romain/0000-0002-7016-7485; Guo, Hao-Bo/0000-0003-1321-1758; Yim, Won Cheol/0000-0002-7489-0435; Tuskan, Gerald/0000-0003-0106-1289; Zheng, Yun/0000-0003-4292-9806; Yang, Xiaohan/0000-0001-5207-4210; Lin, Yann-rong/0000-0001-6833-8276; Liu, Li-yu/0000-0001-6997-8101 FU Fujian Agriculture and Forestry University; USDA T-START grant through the University of Hawaii; University of Illinois at Urbana-Champaign; Fujian provincial government; US National Science Foundation (NSF) Plant Genome Program [0922545]; NSF [DBI-1401572, IOS-1444567]; US National Institutes of Health [R01-HG006677]; US NSF [DBI-1350041, DBI-1265383]; US Department of Energy, Office of Science, Genomic Science Program [DE-SC0008834] FX We thank R. Kai and C. Mayo Riley for maintaining the pineapple plants and the collection of leaf tissues; M. Conway at Dole Plantation for assistance in time-course leaf sample collection; G. Sanewski for providing the MD2 pedigree; and M. Cushman for providing clarifying comments on the manuscript. This project is supported by funding from the Fujian Agriculture and Forestry University to R. M.; a USDA T-START grant through the University of Hawaii to Q.Y., R.M., P.H.M. and R.E.P.; and funding from the University of Illinois at Urbana-Champaign to R.M. H.T. is supported by the 100 Talent Plan award from the Fujian provincial government. Analyses of the pineapple genome are supported by the following funding sources: US National Science Foundation (NSF) Plant Genome Program grant 0922545 to R.M., P.H.M. and Q.Y. and NSF grant DBI-1401572 to R.V.; NSF grant IOS-1444567 to J.H.L.-M.; and US National Institutes of Health award R01-HG006677 and US NSF awards DBI-1350041 and DBI-1265383 to M.C.S. W.C.Y., H.-B.G., H.G., G.A.T., X.Y. and J.C.C. acknowledge support from the US Department of Energy, Office of Science, Genomic Science Program, under award DE-SC0008834. NR 66 TC 34 Z9 36 U1 19 U2 92 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 1061-4036 EI 1546-1718 J9 NAT GENET JI Nature Genet. PD DEC PY 2015 VL 47 IS 12 BP 1435 EP + DI 10.1038/ng.3435 PG 11 WC Genetics & Heredity SC Genetics & Heredity GA CX6LT UT WOS:000365813200015 PM 26523774 ER PT J AU Urban, JJ AF Urban, Jeffrey J. TI Prospects for thermoelectricity in quantum dot hybrid arrays SO NATURE NANOTECHNOLOGY LA English DT Article ID THERMAL-CONDUCTIVITY; MOLECULAR JUNCTIONS; NANOCRYSTAL SOLIDS; TRANSPORT; SUPERLATTICES; THERMOPOWER; ENERGY; ENHANCEMENT; POWER; HEAT C1 [Urban, Jeffrey J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Mol Foundry, Berkeley, CA 94720 USA. RP Urban, JJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Mol Foundry, 1 Cyclotron Rd,67R4110, Berkeley, CA 94720 USA. EM jjurban@lbl.gov NR 47 TC 4 Z9 4 U1 15 U2 55 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1748-3387 EI 1748-3395 J9 NAT NANOTECHNOL JI Nat. Nanotechnol. PD DEC PY 2015 VL 10 IS 12 BP 997 EP U114 DI 10.1038/nnano.2015.289 PG 6 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA CX9KE UT WOS:000366023700024 PM 26632279 ER PT J AU Davids, PS Jarecki, RL Starbuck, A Burckel, DB Kadlec, EA Ribaudo, T Shaner, EA Peters, DW AF Davids, Paul S. Jarecki, Robert L. Starbuck, Andrew Burckel, D. Bruce Kadlec, Emil A. Ribaudo, Troy Shaner, Eric A. Peters, David W. TI Infrared rectification in a nanoantenna-coupled metal-oxide-semiconductor tunnel diode SO NATURE NANOTECHNOLOGY LA English DT Article ID DENSITY-OF-STATES; EFFICIENCY; FREQUENCIES; SURFACES; DETECTOR; RECTENNA; TIME AB Direct rectification of electromagnetic radiation is a well-established method for wireless power conversion in the microwave region of the spectrum, for which conversion efficiencies in excess of 84% have been demonstrated(1-6). Scaling to the infrared or optical part of the spectrum requires ultrafast rectification(7-10) that can only be obtained by direct tunnelling(11,12). Many research groups have looked to plasmonics to overcome antenna-scaling limits and to increase the confinement(10,13-21). Recently, surface plasmons on heavily doped Si surfaces were investigated as a way of extending surface-mode confinement to the thermal infrared region(22). Here we combine a nanostructured metallic surface with a heavily doped Si infrared-reflective ground plane designed to confine infrared radiation in an active electronic direct-conversion device. The interplay of strong infrared photon-phonon coupling and electromagnetic confinement in nanoscale devices is demonstrated to have a large impact on ultrafast electronic tunnelling in metal-oxidesemiconductor (MOS) structures. Infrared dispersion of SiO2 near a longitudinal optical (LO) phonon mode gives large transverse-field confinement in a nanometre-scale oxide-tunnel gap as the wavelength-dependent permittivity changes from 1 to 0, which leads to enhanced electromagnetic fields at material interfaces and a rectified displacement current that provides a direct conversion of infrared radiation into electric current. The spectral and electrical signatures of the nanoantenna-coupled tunnel diodes are examined under broadband black-body and quantum-cascade laser (QCL) illumination. In the region near the LO phonon resonance, we obtained a measured photoresponsivity of 2.7 mAW(-1) cm(-2) at -0.1 V. C1 [Davids, Paul S.; Jarecki, Robert L.; Starbuck, Andrew; Burckel, D. Bruce; Kadlec, Emil A.; Ribaudo, Troy; Shaner, Eric A.; Peters, David W.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Davids, PS (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM pdavids@sandia.gov FU Sandia's Laboratory Directed Research and Development program; US Department of Defense; US Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX P.S.D. thanks P. Rakich from Yale University and W. Burckel and R. Sanchez from Sandia for many useful and enlightening discussions. Funding for this work was provided by Sandia's Laboratory Directed Research and Development program and the US Department of Defense. Sandia is a multiprogramme laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the US Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 30 TC 3 Z9 3 U1 15 U2 51 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1748-3387 EI 1748-3395 J9 NAT NANOTECHNOL JI Nat. Nanotechnol. PD DEC PY 2015 VL 10 IS 12 BP 1033 EP 1038 DI 10.1038/NNANO.2015.216 PG 6 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA CX9KE UT WOS:000366023700010 PM 26414194 ER PT J AU Riley, JM Meevasana, W Bawden, L Asakawa, M Takayama, T Eknapakul, T Kim, TK Hoesch, M Mo, SK Takagi, H Sasagawa, T Bahramy, MS King, PDC AF Riley, J. M. Meevasana, W. Bawden, L. Asakawa, M. Takayama, T. Eknapakul, T. Kim, T. K. Hoesch, M. Mo, S-K. Takagi, H. Sasagawa, T. Bahramy, M. S. King, P. D. C. TI Negative electronic compressibility and tunable spin splitting in WSe2 SO NATURE NANOTECHNOLOGY LA English DT Article ID TRANSITION-METAL DICHALCOGENIDES; 2-DIMENSIONAL ELECTRON; QUANTUM CAPACITANCE; BAND; SEMICONDUCTOR; RENORMALIZATION; INSULATOR; FIELD; MOS2; GAP AB Tunable bandgaps(1), extraordinarily large exciton-binding energies(2,3), strong light-matter coupling(4) and a locking of the electron spin with layer and valley pseudospins(5-8) have established transition-metal dichalcogenides (TMDs) as a unique class of two-dimensional (2D) semiconductors with wide-ranging practical applications(9,10). Using angle-resolved photoemission (ARPES), we show here that doping electrons at the surface of the prototypical strong spin-orbit TMD WSe2, akin to applying a gate voltage in a transistor-type device, induces a counterintuitive lowering of the surface chemical potential concomitant with the formation of a multivalley 2D electron gas (2DEG). These measurements provide a direct spectroscopic signature of negative electronic compressibility (NEC), a result of electron-electron interactions, which we find persists to carrier densities approximately three orders of magnitude higher than in typical semiconductor 2DEGs that exhibit this effect(11,12). An accompanying tunable spin splitting of the valence bands further reveals a complex interplay between single-particle band-structure evolution and many-body interactions in electrostatically doped TMDs. Understanding and exploiting this will open up new opportunities for advanced electronic and quantum-logic devices. C1 [Riley, J. M.; Bawden, L.; King, P. D. C.] Univ St Andrews, Sch Phys & Astron, SUPA, St Andrews KY16 9SS, Fife, Scotland. [Riley, J. M.; Kim, T. K.; Hoesch, M.] Diamond Light Source, Didcot OX11 0DE, Oxon, England. [Meevasana, W.; Eknapakul, T.] Suranaree Univ Technol, Sch Phys, Nakhon Ratchasima 30000, Thailand. [Meevasana, W.] Suranaree Univ Technol, NANOTEC SUT Ctr Excellence Adv Funct Nanomat, Nakhon Ratchasima 30000, Thailand. [Asakawa, M.; Sasagawa, T.] Tokyo Inst Technol, Mat & Struct Lab, Tokyo, Kanagawa 2268503, Japan. [Takayama, T.; Takagi, H.] Univ Tokyo, Dept Phys, Tokyo 1130033, Japan. [Takayama, T.; Takagi, H.] Max Planck Inst Solid State Res, D-70569 Stuttgart, Germany. [Mo, S-K.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Bahramy, M. S.] Univ Tokyo, Quantum Phase Elect Ctr, Tokyo 1138656, Japan. [Bahramy, M. S.] Univ Tokyo, Dept Appl Phys, Tokyo 1138656, Japan. [Bahramy, M. S.] RIKEN Ctr Emergent Matter Sci CEMS, Wako, Saitama 3510198, Japan. RP King, PDC (reprint author), Univ St Andrews, Sch Phys & Astron, SUPA, St Andrews KY16 9SS, Fife, Scotland. EM philip.king@st-andrews.ac.uk RI Mo, Sung-Kwan/F-3489-2013; King, Philip/D-3809-2014; Sasagawa, Takao/E-6666-2014; Takagi, Hidenori/B-2935-2010; Bahramy, Mohammad/B-2865-2013; OI Mo, Sung-Kwan/0000-0003-0711-8514; King, Philip/0000-0002-6523-9034; Sasagawa, Takao/0000-0003-0149-6696; Bahramy, Mohammad/0000-0001-9024-6335; Hoesch, Moritz/0000-0002-0114-2110 FU Engineering and Physical Sciences Research Council, UK [EP/I031014/1, EP/M023427/1, EP/L505079/1, EP/G03673X/1]; TRF-SUT Grant [RSA5680052]; NANOTEC, Thailand, through the Centres of Excellence Network; Royal Society through a University Research Fellowship; Ministry of Education, Culture, Sports, Science and Technology (MEXT) of Japan [24224009]; Office of Science, Office of Basic Energy Sciences, US Department of Energy [DE-AC02-05CH11231] FX This work was supported by the Engineering and Physical Sciences Research Council, UK (Grant Nos EP/I031014/1, EP/M023427/1, EP/L505079/1 and EP/G03673X/1), TRF-SUT Grant RSA5680052 and NANOTEC, Thailand, through the Centres of Excellence Network. P.D.C.K. acknowledges support from the Royal Society through a University Research Fellowship. M.S.B. was supported by a Grant-in-Aid for Scientific Research (S) (No. 24224009) from the Ministry of Education, Culture, Sports, Science and Technology (MEXT) of Japan. The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, US Department of Energy, under Contract No. DE-AC02-05CH11231. We thank the Diamond Light Source for access to beamline I05 (proposal numbers SI9500 and SI11383) that contributed to the results presented here. NR 33 TC 12 Z9 12 U1 18 U2 125 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1748-3387 EI 1748-3395 J9 NAT NANOTECHNOL JI Nat. Nanotechnol. PD DEC PY 2015 VL 10 IS 12 BP 1043 EP + DI 10.1038/NNANO.2015.217 PG 6 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA CX9KE UT WOS:000366023700012 PM 26389661 ER PT J AU Jain, T Rasera, BC Guerrero, RJS Boutilier, MSH O'Hern, SC Idrobo, JC Karnik, R AF Jain, Tarun Rasera, Benjamin C. Guerrero, Ricardo Jose S. Boutilier, Michael S. H. O'Hern, Sean C. Idrobo, Juan-Carlos Karnik, Rohit TI Heterogeneous sub-continuum ionic transport in statistically isolated graphene nanopores SO NATURE NANOTECHNOLOGY LA English DT Article ID SINGLE-LAYER GRAPHENE; WATER DESALINATION; INTRINSIC DEFECTS; MEMBRANES; CHANNEL; SELECTIVITY; DNA; PERMEATION; GAS AB Graphene and other two-dimensional materials offer a new class of ultrathin membranes that can have atomically defined nanopores with diameters approaching those of hydrated ions(1-7). These nanopores have the smallest possible pore volumes of any ion channel, which, due to ionic dehydration(8) and electrokinetic effects9, places them in a novel transport regime and allows membranes to be created that combine selective ionic transport(10) with ultimate permeance(11-13) and could lead to separations(14,15) and sensing(16) applications. However, experimental characterization and understanding of sub-continuum ionic transport in nanopores below 2 nm is limited(17,18). Here we show that isolated sub-2 nm pores in graphene exhibit, in contrast to larger pores, diverse transport behaviours consistent with ion transport over a free-energy barrier arising from ion dehydration and electrostatic interactions. Current-voltage measurements reveal that the conductance of graphene nanopores spans three orders of magnitude(8) and that they display distinct linear, voltage-activated or rectified current-voltage characteristics and different cation-selectivity profiles. In rare cases, rapid, voltage-dependent stochastic switching is observed, consistent with the presence of a dissociable group in the pore vicinity(19). A modified Nernst-Planck model incorporating ion hydration and electrostatic effects quantitatively matches the observed behaviours. C1 [Jain, Tarun; Rasera, Benjamin C.; Guerrero, Ricardo Jose S.; Boutilier, Michael S. H.; O'Hern, Sean C.; Karnik, Rohit] MIT, Dept Mech Engn, Cambridge, MA 02139 USA. [Idrobo, Juan-Carlos] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Karnik, R (reprint author), MIT, Dept Mech Engn, Cambridge, MA 02139 USA. EM karnik@mit.edu OI Idrobo, Juan Carlos/0000-0001-7483-9034 FU US Department of Energy, Office of Basic Energy Sciences [DE-SC0008059]; National Science Foundation at the Massachusetts Institute of Technology [DMR-0819762] FX This work was supported by the US Department of Energy, Office of Basic Energy Sciences under award no. DE-SC0008059. The research made use of the Materials Research Science and Engineering Centers Shared Experimental Facilities supported by the National Science Foundation under award no. DMR-0819762 at the Massachusetts Institute of Technology. Scanning transmission electron microscopy was conducted at Oak Ridge National Laboratory's Center for Nanophase Materials Sciences (CNMS), which is a US Department of Energy, Office of Science User Facility. NR 32 TC 12 Z9 13 U1 13 U2 89 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1748-3387 EI 1748-3395 J9 NAT NANOTECHNOL JI Nat. Nanotechnol. PD DEC PY 2015 VL 10 IS 12 BP 1053 EP + DI 10.1038/NNANO.2015.222 PG 6 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA CX9KE UT WOS:000366023700014 PM 26436566 ER PT J AU Xu, FH Curty, M Qi, B Qian, L Lo, HK AF Xu, Feihu Curty, Marcos Qi, Bing Qian, Li Lo, Hoi-Kwong TI Discrete and continuous variables for measurement-device-independent quantum cryptography SO NATURE PHOTONICS LA English DT Letter ID KEY DISTRIBUTION C1 [Xu, Feihu] MIT, Elect Res Lab, Cambridge, MA 02139 USA. [Curty, Marcos] Univ Vigo, Dept Signal Theory & Commun, Escuela Ingn Telecomunicac, E-36310 Vigo, Spain. [Qi, Bing] Oak Ridge Natl Lab, Quantum Informat Sci Grp, Computat Sci & Engn Div, Oak Ridge, TN 37831 USA. [Qian, Li; Lo, Hoi-Kwong] Univ Toronto, Dept Elect & Comp Engn, Toronto, ON M5S 3G4, Canada. RP Xu, FH (reprint author), MIT, Elect Res Lab, 77 Massachusetts Ave, Cambridge, MA 02139 USA. EM fhxu@mit.edu RI Qi, Bing/J-5028-2014 OI Qi, Bing/0000-0001-7723-8998 NR 12 TC 6 Z9 6 U1 7 U2 16 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1749-4885 EI 1749-4893 J9 NAT PHOTONICS JI Nat. Photonics PD DEC PY 2015 VL 9 IS 12 BP 772 EP 773 PG 2 WC Optics; Physics, Applied SC Optics; Physics GA CY1ES UT WOS:000366150100002 ER PT J AU Bechtold, A Rauch, D Li, FX Simmet, T Ardelt, PL Regler, A Muller, K Sinitsyn, NA Finley, JJ AF Bechtold, Alexander Rauch, Dominik Li, Fuxiang Simmet, Tobias Ardelt, Per-Lennart Regler, Armin Mueller, Kai Sinitsyn, Nikolai A. Finley, Jonathan J. TI Three-stage decoherence dynamics of an electron spin qubit in an optically active quantum dot SO NATURE PHYSICS LA English DT Article ID STATE AB The control of solid-state qubits requires a detailed understanding of the decoherence mechanisms. Despite considerable progress in uncovering the qubit dynamics in strong magnetic fields(1-4), decoherence at very low magnetic fields remains puzzling, and the role of quadrupole coupling of nuclear spins is poorly understood. For spin qubits in semiconductor quantum dots, phenomenological models of decoherence include two basic types of spin relaxation(5-7): fast dephasing due to static but randomly distributed hyperfine fields (similar to 2 ns)(8-11) and a much slower process (>1 mu s) of irreversible monotonic relaxation due either to nuclear spin co-flips or other complex many-body interaction effects(12). Here we show that this is an oversimplification; the spin qubit relaxation is determined by three rather than two distinct stages. The additional stage corresponds to the effect of coherent precession processes that occur in the nuclear spin bath itself, leading to a relatively fast but incomplete non-monotonic relaxation at intermediate timescales (similar to 750 ns). C1 [Bechtold, Alexander; Rauch, Dominik; Simmet, Tobias; Ardelt, Per-Lennart; Regler, Armin; Mueller, Kai; Finley, Jonathan J.] Tech Univ Munich, Walter Schottky Inst, D-85748 Garching, Germany. [Li, Fuxiang] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. [Li, Fuxiang; Sinitsyn, Nikolai A.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Regler, Armin; Mueller, Kai] Stanford Univ, Edward L Ginzton Lab, Stanford, CA 94305 USA. RP Finley, JJ (reprint author), Tech Univ Munich, Walter Schottky Inst, D-85748 Garching, Germany. EM jonathan.finley@wsi.tum.de RI Li, Fuxiang/O-9132-2015 FU Deutsche Forschungs Gemeinschaft [SFB-631]; Nanosystems Initiative Munich; EU; Alexander von Humboldt Foundation; ARO [W911NF-13-1-0309]; US Department of Energy [DE-AC52-06NA25396]; LDRD program at LANL FX We are very grateful to L. Cywinski for most useful and enlightening discussions. Furthermore, we gratefully acknowledge financial support from the Deutsche Forschungs Gemeinschaft via SFB-631, and the Nanosystems Initiative Munich, the EU via S3 Nano, and BaCaTeC. K.M. acknowledges financial support from the Alexander von Humboldt Foundation and the ARO (Grant W911NF-13-1-0309). Work at LANL was supported by the US Department of Energy, Contract No. DE-AC52-06NA25396, and the LDRD program at LANL. NR 30 TC 17 Z9 17 U1 3 U2 24 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1745-2473 EI 1745-2481 J9 NAT PHYS JI Nat. Phys. PD DEC PY 2015 VL 11 IS 12 BP 1005 EP + DI 10.1038/NPHYS3470 PG 5 WC Physics, Multidisciplinary SC Physics GA CX7QZ UT WOS:000365898400013 ER PT J AU Li, CW Hong, J May, AF Bansal, D Chi, S Hong, T Ehlers, G Delaire, O AF Li, C. W. Hong, J. May, A. F. Bansal, D. Chi, S. Hong, T. Ehlers, G. Delaire, O. TI Orbitally driven giant phonon anharmonicity in SnSe SO NATURE PHYSICS LA English DT Article ID HIGH-THERMOELECTRIC PERFORMANCE; TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; THERMAL-CONDUCTIVITY; VIBRATIONAL-MODES; CRYSTALS; METALS; TRANSITION; SCATTERING AB Understanding elementary excitations and their couplings in condensed matter systems is critical for developing better energy-conversion devices. In thermoelectric materials, the heat-to-electricity conversion efficiency is directly improved by suppressing the propagation of phonon quasiparticles responsible for macroscopic thermal transport. The current record material for thermoelectric conversion efficiency, SnSe, has an ultralow thermal conductivity, but the mechanism behind the strong phonon scattering remains largely unknown. From inelastic neutron scattering measurements and first-principles simulations, we mapped the four-dimensional phonon dispersion surfaces of SnSe, and found the origin of the ionic-potential anharmonicity responsible for the unique properties of SnSe. We show that the giant phonon scattering arises from an unstable electronic structure, with orbital interactions leading to a ferroelectric-like lattice instability. The present results provide a microscopic picture connecting electronic structure and phonon anharmonicity in SnSe, and offers new insights on how electron-phonon and phonon-phonon interactions may lead to the realization of ultralow thermal conductivity. C1 [Li, C. W.; Hong, J.; May, A. F.; Bansal, D.; Delaire, O.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Chi, S.; Hong, T.; Ehlers, G.] Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA. RP Delaire, O (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. EM delaireoa@ornl.gov RI Hong, Tao/F-8166-2010; Chi, Songxue/A-6713-2013; Instrument, CNCS/B-4599-2012; Hong, Jiawang/B-2864-2009; Bansal, Dipanshu/I-7895-2016; May, Andrew/E-5897-2011; Ehlers, Georg/B-5412-2008 OI Hong, Tao/0000-0002-0161-8588; Chi, Songxue/0000-0002-3851-9153; Hong, Jiawang/0000-0002-9915-8072; Bansal, Dipanshu/0000-0003-1181-1119; May, Andrew/0000-0003-0777-8539; Ehlers, Georg/0000-0003-3513-508X FU S3TEC EFRC, an Energy Frontier Research Center - US Department of Energy, Office of Science, Basic Energy Sciences [DE-SC0001299]; CAMM; US Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division. Sample synthesis; US Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division; Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy; Office of Science of the US Department of Energy FX Neutron scattering measurements and analysis (O.D., C.W.L.) was supported as part of the S3TEC EFRC, an Energy Frontier Research Center funded by the US Department of Energy, Office of Science, Basic Energy Sciences under Award # DE-SC0001299. Computer simulations and analysis were supported through CAMM (J.H., D.B.), funded by the US Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division. Sample synthesis (A.F.M.) was supported by the US Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division. The use of Oak Ridge National Laboratory's Spallation Neutron Source and High Flux Isotope Reactor was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy. The orientation of single crystals was characterized using the X-ray Laue camera system at the X-ray lab in SNS, ORNL (we thank J. K. Keum for his assistance). This research used resources of the Oak Ridge Leadership Computing Facility (OLCF), which is supported by the Office of Science of the US Department of Energy. NR 43 TC 52 Z9 52 U1 45 U2 158 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1745-2473 EI 1745-2481 J9 NAT PHYS JI Nat. Phys. PD DEC PY 2015 VL 11 IS 12 BP 1063 EP + DI 10.1038/NPHYS3492 PG 8 WC Physics, Multidisciplinary SC Physics GA CX7QZ UT WOS:000365898400025 ER PT J AU Smedley, D Jacobsen, JOB Jager, M Kohler, S Holtgrewe, M Schubach, M Siragusa, E Zemojtel, T Buske, OJ Washington, NL Bone, WP Haendel, MA Robinson, PN AF Smedley, Damian Jacobsen, Julius O. B. Jaeger, Marten Koehler, Sebastian Holtgrewe, Manuel Schubach, Max Siragusa, Enrico Zemojtel, Tomasz Buske, Orion J. Washington, Nicole L. Bone, William P. Haendel, Melissa A. Robinson, Peter N. TI Next-generation diagnostics and disease-gene discovery with the Exomiser SO NATURE PROTOCOLS LA English DT Article ID HUMAN PHENOTYPE ONTOLOGY; MENDELIAN DISEASES; SEQUENCE DATA; SEMANTIC SIMILARITY; CANDIDATE GENES; NATIONAL CENTER; RARE DISEASES; EXOME; VARIANTS; PRIORITIZATION AB Exomiser is an application that prioritizes genes and variants in next-generation sequencing (NGS) projects for novel disease-gene discovery or differential diagnostics of Mendelian disease. Exomiser comprises a suite of algorithms for prioritizing exome sequences using random-walk analysis of protein interaction networks, clinical relevance and cross-species phenotype comparisons, as well as a wide range of other computational filters for variant frequency, predicted pathogenicity and pedigree analysis. In this protocol, we provide a detailed explanation of how to install Exomiser and use it to prioritize exome sequences in a number of scenarios. Exomiser requires similar to 3 GB of RAM and roughly 15-90 s of computing time on a standard desktop computer to analyze a variant call format (VCF) file. Exomiser is freely available for academic use from http://www.sanger.ac.uk/science/tools/exomiser. C1 [Smedley, Damian; Jacobsen, Julius O. B.] Wellcome Trust Sanger Inst, Skarnes Fac Grp, Hinxton, England. [Jaeger, Marten; Koehler, Sebastian; Holtgrewe, Manuel; Schubach, Max; Siragusa, Enrico; Zemojtel, Tomasz; Robinson, Peter N.] Charite, Inst Med & Human Genet, D-13353 Berlin, Germany. [Jaeger, Marten; Robinson, Peter N.] Charite, Berlin Brandenburg Ctr Regenerat Therapies BCRT, D-13353 Berlin, Germany. [Holtgrewe, Manuel; Siragusa, Enrico] Berlin Inst Hlth, Berlin, Germany. [Siragusa, Enrico; Robinson, Peter N.] Max Planck Inst Mol Genet, D-14195 Berlin, Germany. [Zemojtel, Tomasz] Polish Acad Sci, Inst Bioorgan Chem, Poznan, Poland. [Zemojtel, Tomasz] Lab Berlin Charite Vivantes, Humangenet, Berlin, Germany. [Buske, Orion J.] Univ Toronto, Dept Comp Sci, Toronto, ON, Canada. [Buske, Orion J.] Hosp Sick Children, Genet & Genome Biol, Toronto, ON M5G 1X8, Canada. [Washington, Nicole L.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Environm Genom & Syst Biol, Berkeley, CA 94720 USA. [Bone, William P.] NIH, Undiagnosed Dis Program, Common Fund, Off Director, Bethesda, MD 20892 USA. [Haendel, Melissa A.] Oregon Hlth & Sci Univ, Dept Med Informat & Clin Epidemiol, Portland, OR 97201 USA. [Robinson, Peter N.] Free Univ Berlin, Inst Bioinformat, Dept Math & Comp Sci, Berlin, Germany. RP Robinson, PN (reprint author), Charite, Inst Med & Human Genet, D-13353 Berlin, Germany. EM peter.robinson@charite.de OI Jacobsen, Julius/0000-0002-3265-1591; Kohler, Sebastian/0000-0002-5316-1399 FU Bundesministerium fur Bildung und Forschung (BMBF) [0313911]; European Community's Seventh Framework Programme [602300]; NIH [5R240D011883] FX This project was supported by the Bundesministerium fur Bildung und Forschung (BMBF; project no. 0313911), the European Community's Seventh Framework Programme (grant agreement no. 602300; SYBIL) and NIH grant no. 5R240D011883 (Monarch Initiative). NR 78 TC 10 Z9 10 U1 3 U2 15 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1754-2189 EI 1750-2799 J9 NAT PROTOC JI Nat. Protoc. PD DEC PY 2015 VL 10 IS 12 BP 2004 EP 2015 DI 10.1038/nprot.2015.124 PG 12 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA CY0UR UT WOS:000366122600008 PM 26562621 ER PT J AU Sun, JC Shi, Y Georgescu, RE Yuan, ZN Chait, BT Li, HL O'Donnell, ME AF Sun, Jingchuan Shi, Yi Georgescu, Roxana E. Yuan, Zuanning Chait, Brian T. Li, Huilin O'Donnell, Michael E. TI The architecture of a eukaryotic replisome SO NATURE STRUCTURAL & MOLECULAR BIOLOGY LA English DT Article ID DNA-POLYMERASE-EPSILON; HUMAN GINS COMPLEX; SACCHAROMYCES-CEREVISIAE; REPLICATION FORK; STRUCTURAL BASIS; CRYSTAL-STRUCTURE; CMG HELICASE; DELTA; STRANDS; INSIGHTS AB At the eukaryotic DNA replication fork, it is widely believed that the Cdc45-Mcm2-7-GINS (CMG) helicase is positioned in front to unwind DNA and that DNA polymerases trail behind the helicase. Here we used single-particle EM to directly image a Saccharomyces cerevisiae replisome. Contrary to expectations, the leading strand Pol epsilon is positioned ahead of CMG helicase, whereas Ctf4 and the lagging-strand polymerase (Pol) alpha-primase are behind the helicase. This unexpected architecture indicates that the leading-strand DNA travels a long distance before reaching Pol epsilon, first threading through the Mcm2-7 ring and then making a U-turn at the bottom and reaching Pol a at the top of CMG. Our work reveals an unexpected configuration of the eukaryotic replisome, suggests possible reasons for this architecture and provides a basis for further structural and biochemical replisome studies. C1 [Sun, Jingchuan; Yuan, Zuanning; Li, Huilin] Brookhaven Natl Lab, Dept Biosci, Upton, NY 11973 USA. [Sun, Jingchuan; Yuan, Zuanning; Li, Huilin] SUNY Stony Brook, Dept Biochem & Cell Biol, Stony Brook, NY 11794 USA. [Shi, Yi; Georgescu, Roxana E.; Chait, Brian T.; O'Donnell, Michael E.] Rockefeller Univ, DNA Replicat Lab, New York, NY 10021 USA. [Georgescu, Roxana E.; O'Donnell, Michael E.] Rockefeller Univ, Howard Hughes Med Inst, New York, NY 10021 USA. RP O'Donnell, ME (reprint author), Rockefeller Univ, DNA Replicat Lab, 1230 York Ave, New York, NY 10021 USA. EM hli@bnl.gov; odonnel@rockefeller.edu OI O'Donnell, Michael/0000-0001-9002-4214 FU US National Institutes of Health [GM103314, GM109824, GM74985, AG29979, GM38839]; Howard Hughes Medical Institute FX We would like to thank O. Yurieva and D. Zhang for the purification of CMG, Pol alpha, Pol epsilon and Ctf4. This work was funded by the US National Institutes of Health (GM103314 and GM109824 to B.T.C.; GM74985 and AG29979 to H.L.; and GM38839 to M.E.O'D.) and the Howard Hughes Medical Institute (M.E.O'D.). NR 52 TC 25 Z9 25 U1 4 U2 25 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 1545-9993 EI 1545-9985 J9 NAT STRUCT MOL BIOL JI Nat. Struct. Mol. Biol. PD DEC PY 2015 VL 22 IS 12 BP 976 EP 982 DI 10.1038/nsmb.3113 PG 7 WC Biochemistry & Molecular Biology; Biophysics; Cell Biology SC Biochemistry & Molecular Biology; Biophysics; Cell Biology GA CY1FP UT WOS:000366152400010 PM 26524492 ER PT J AU Barrett, KE Ellis, KD Glass, CR Roth, GA Teague, MP Johns, J AF Barrett, K. E. Ellis, K. D. Glass, C. R. Roth, G. A. Teague, M. P. Johns, J. TI Critical processes and parameters in the development of accident tolerant fuels drop-in capsule irradiation tests SO NUCLEAR ENGINEERING AND DESIGN LA English DT Article DE Fuel engineering AB The goal of the Accident Tolerant Fuel (ATF) program is to develop the next generation of Light Water Reactor (LWR) fuels with improved performance, reliability, and safety characteristics during normal operations and accident conditions and with reduced waste generation. An irradiation test series has been defined to assess the performance of proposed ATF concepts under normal LWR operating conditions. The Phase I ATF irradiation test series is planned to be performed as a series of drop-in capsule tests to be irradiated in the Advanced Test Reactor (ATR) operated by the Idaho National Laboratory (INL). Design, analysis, and fabrication processes for ATR drop-in capsule experiment preparation are presented in this paper to demonstrate the importance of special design considerations, parameter sensitivity analysis, and precise fabrication and inspection techniques for figure innovative materials used in ATF experiment assemblies. A Taylor Series Method sensitivity analysis approach was used to identify the most critical variables in cladding and rodlet stress, temperature, and pressure calculations for design analyses. The results showed that internal rodlet pressure calculations are most sensitive to the fission gas release rate uncertainty while temperature calculations are most sensitive to cladding I.D. and O.D. dimensional uncertainty. The analysis showed that stress calculations are most sensitive to rodlet internal pressure uncertainties, however the results also indicated that the inside radius, outside radius, and internal pressure were all magnified as they propagate through the stress equation. This paper demonstrates the importance for ATF concept development teams to provide the fabricators as much information as possible about the material properties and behavior observed in prototype testing, mock-up fabrication and assembly, and chemical and mechanical testing of the materials that may have been performed in the concept development phase. Special handling, machining, welding, and inspection of materials, if known, should also be communicated to the experiment fabrication and inspection team. Published by Elsevier B.V. C1 [Barrett, K. E.; Ellis, K. D.; Glass, C. R.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Roth, G. A.] Informat Syst Lab, Idaho Falls, ID 83404 USA. [Teague, M. P.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Johns, J.] Pacific NW Natl Lab, Richland, WA 99354 USA. RP Barrett, KE (reprint author), Idaho Natl Lab, POB 1625, Idaho Falls, ID 83415 USA. EM Kristine.Barrett@inl.gov; groth@islinc.com; mpteagu@sandia.gov; jesse.m.johns@gmail.com FU U.S. Department of Energy (DOE) Fuel Cycle Research and Development (FCRD) program; U.S. Department of Energy (DOE) Light Water Reactor Sustainability (LWRS) program; FCRD Program; U.S. Department of Energy [DE-AC07-05ID14517]; United States Government FX The development of this paper was jointly supported by the U.S. Department of Energy (DOE) Fuel Cycle Research and Development (FCRD) and the Light Water Reactor Sustainability (LWRS) programs. The ATF irradiation testing is funded by the FCRD Program. This manuscript has been authored by Battelle Energy Alliance, LLC under Contract No. DE-AC07-05ID14517 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, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. Acknowledgements for support of the ATF experiments at the INL go to the following:; Shannon Bragg-Sitton FCRD LWR Fuel Coordination Lead; Heather Chichester FCRD Irradiation Testing Technical Lead; Steven Hayes ATF Fuel Performance Principal Investigator; Jason Harp ATF Fuel Performance and PIE Principal Investigator; Glenn Moore ATF Fabrication Principal Investigator; Michael Teague AFC Lead Design Engineer and Thermal Analyst; Brian Durtschi Design Engineer; Misti Lillo Physics Analyst; Christopher Glass Physics Analyst; Glenn Roth Thermal Analyst; Warren Jones Thermal Analyst; Kelly Ellis Structural Analyst; Jesse Johns BISON Analyst; Pavel Medvedev BISON Analyst; Stephen Evans ATR Representative; Michael David ATR Experiment Engineer; Christine White Graphic Artist NR 7 TC 0 Z9 0 U1 4 U2 8 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0029-5493 EI 1872-759X J9 NUCL ENG DES JI Nucl. Eng. Des. PD DEC 1 PY 2015 VL 294 BP 38 EP 51 DI 10.1016/j.nucengdes.2015.07.074 PG 14 WC Nuclear Science & Technology SC Nuclear Science & Technology GA CY0DW UT WOS:000366077500004 ER PT J AU Wang, D Yoder, GL Pointer, DW Holcomb, DE AF Wang, Dean Yoder, Graydon L. Pointer, David W. Holcomb, David E. TI Thermal hydraulics analysis of the Advanced High Temperature Reactor SO NUCLEAR ENGINEERING AND DESIGN LA English DT Article AB The Advanced High Temperature Reactor (AHTR) is a liquid salt-cooled nuclear reactor design concept, featuring low-pressure molten fluoride salt coolant, a carbon composite fuel form with embedded coated particle fuel, passively triggered negative reactivity insertion mechanisms, and fully passive decay heat rejection. This paper describes an AHTR system model developed using the Nuclear Regulatory Commission (NRC) thermal hydraulic transient code TRAC/RELAP Advanced Computational Engine (TRACE). The TRACE model includes all of the primary components: the core, downcomer, hot legs, cold legs, pumps, direct reactor auxiliary cooling system (DRACS), the primary heat exchangers (PHXs), etc. The TRACE model was used to help define and size systems such as the DRACS and the PHX. A loss of flow transient was also simulated to evaluate the performance of the reactor during an anticipated transient event. Some initial recommendations for modifying system component designs are also discussed. The TRACE model will be used as the basis for developing more detailed designs and ultimately will be used to perform transient safety analysis for the reactor. (C) 2015 Elsevier B.V. All rights reserved. C1 [Wang, Dean] Univ Massachusetts, Lowell, MA 01854 USA. [Yoder, Graydon L.; Pointer, David W.; Holcomb, David E.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Wang, D (reprint author), Univ Massachusetts, One Univ Ave, Lowell, MA 01854 USA. EM Dean_Wang@uml.edu OI Holcomb, David/0000-0001-8263-4661; Pointer, W. David/0000-0003-0946-7937 FU US Department of Energy [DE-AC05-00OR22725] FX This manuscript has been authored by UT-Battelle LLC under Contract No. DE-AC05-00OR22725 with the US 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 non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. NR 10 TC 3 Z9 3 U1 3 U2 14 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0029-5493 EI 1872-759X J9 NUCL ENG DES JI Nucl. Eng. Des. PD DEC 1 PY 2015 VL 294 BP 73 EP 85 DI 10.1016/j.nucengdes.2015.08.017 PG 13 WC Nuclear Science & Technology SC Nuclear Science & Technology GA CY0DW UT WOS:000366077500007 ER PT J AU Reckinger, SM Petersen, MR Reckinger, SJ AF Reckinger, Shanon M. Petersen, Mark R. Reckinger, Scott J. TI A study of overflow simulations using MPAS-Ocean: Vertical grids, resolution, and viscosity SO OCEAN MODELLING LA English DT Article DE Dynamics of overflow mixing and entrainment (DOME); MPAS-Ocean; Sigma vertical coordinate; Z-star with partial bottom cells; Model resolution ID GRAVITY CURRENT ENTRAINMENT; SPECTRAL ELEMENT MODEL; SEA OUTFLOW PLUME; CIRCULATION MODELS; Z-COORDINATE; CLIMATE MODELS; TURBULENT ENTRAINMENT; TIME INTEGRATION; DENMARK STRAIT; ROTATING FLUID AB MPAS-Ocean is used to simulate an idealized, density-driven overflow using the dynamics of overflow mixing and entrainment (DOME) setup. Numerical simulations are carried out using three of the vertical coordinate types available in MPAS-Ocean, including z-star with partial bottom cells, z-star with full cells, and sigma coordinates. The results are first benchmarked against other models, including the MITgcm's z-coordinate model and HIM's isopycnal coordinate model, which are used to set the base case used for this work. A full parameter study is presented that looks at how sensitive overflow simulations are to vertical grid type, resolution, and viscosity. Horizontal resolutions with 50 km grid cells are under-resolved and produce poor results, regardless of other parameter settings. Vertical grids ranging in thickness from 15 m to 120 m were tested. A horizontal resolution of 10 km and a vertical resolution of 60 m are sufficient to resolve the mesoscale dynamics of the DOME configuration, which mimics real-world overflow parameters. Mixing and final buoyancy are least sensitive to horizontal viscosity, but strongly sensitive to vertical viscosity. This suggests that vertical viscosity could be adjusted in overflow water formation regions to influence mixing and product water characteristics. Lastly, the study shows that sigma coordinates produce much less mixing than z-type coordinates, resulting in heavier plumes that go further down slope. Sigma coordinates are less sensitive to changes in resolution but as sensitive to vertical viscosity compared to z-coordinates. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Reckinger, Shanon M.] Fairfield Univ, Sch Engn, Dept Mech Engn, Fairfield, CT 06824 USA. [Petersen, Mark R.] Los Alamos Natl Lab, Comp Computat & Stat Sci Div, Los Alamos, NM 87545 USA. [Reckinger, Scott J.] Brown Univ, Dept Earth Environm & Planetary Sci, Providence, RI 02912 USA. RP Reckinger, SM (reprint author), Fairfield Univ, Sch Engn, Dept Mech Engn, 1073 North Benson Rd, Fairfield, CT 06824 USA. EM shanon.reckinger@gmail.com OI Petersen, Mark/0000-0001-7170-7511; Reckinger, Shanon/0000-0003-1609-9861 FU Henry Luce Foundation through the Clare Boothe Luce Professorship; Earth System Modeling Program of the Office of Biological and Environmental Research within the US Department of Energy's Office of Science FX Simulations were conducted using LANL Institutional Computing resources and Fairfield University's Mithra computing cluster. S. M. Reckinger was supported by the Henry Luce Foundation through the Clare Boothe Luce Professorship. M. Petersen was supported by the Earth System Modeling Program of the Office of Biological and Environmental Research within the US Department of Energy's Office of Science. A special thanks to Sonya Legg for her feedback, insight, and for providing us with MITgcm and HIM results to compare against. The authors would also like to thank the two anonymous reviewers for their thorough review and insight, which improved the manuscript greatly. NR 70 TC 0 Z9 0 U1 2 U2 7 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1463-5003 EI 1463-5011 J9 OCEAN MODEL JI Ocean Model. PD DEC PY 2015 VL 96 BP 291 EP 313 DI 10.1016/j.ocemod.2015.09.006 PN 2 PG 23 WC Meteorology & Atmospheric Sciences; Oceanography SC Meteorology & Atmospheric Sciences; Oceanography GA CX9XA UT WOS:000366058600010 ER PT J AU Agustsson, R Arab, E Murokh, A O'Shea, B Ovodenko, A Pogorelsky, I Rosenzweig, J Solovyov, V Tilton, R AF Agustsson, R. Arab, E. Murokh, A. O'Shea, B. Ovodenko, A. Pogorelsky, I. Rosenzweig, J. Solovyov, V. Tilton, R. TI Measuring single-shot, picosecond optical damage threshold in Ge, Si, and sapphire with a 5.1-mu m laser SO OPTICAL MATERIALS EXPRESS LA English DT Article ID BULK TRANSPARENT MATERIALS; INDUCED BREAKDOWN; ACCELERATOR; PULSES; SILICON; DRIVEN; WAVE AB Optical photonic structures driven by picosecond, GW-class lasers are emerging as promising novel sources of electron beams and high quality X-rays. Due to quadratic dependence on wavelength of the laser ponderomotive potential, the performance of such sources scales very favorably towards longer drive laser wavelengths. However, to take full advantage of photonic structures at mid-IR spectral region, it is important to determine optical breakdown limits of common optical materials. To this end, an experimental study was carried out at a wavelength of 5 mu m, using a frequency-doubled CO2 laser source, with 5 ps pulse length. Single-shot optical breakdowns were detected and characterized at different laser intensities, and damage threshold values of 0.2, 0.3, and 7.0 J/cm(2), were established for Ge, Si, and sapphire, respectively. The measured damage threshold values were stable and repeatable within individual data sets, and across varying experimental conditions. (C)2015 Optical Society of America C1 [Agustsson, R.; Murokh, A.; Ovodenko, A.; Tilton, R.] RadiaBeam Technol LLC, Santa Monica, CA 90404 USA. [Arab, E.; O'Shea, B.; Rosenzweig, J.] Univ Calif Los Angeles, Los Angeles, CA 90095 USA. [Pogorelsky, I.; Solovyov, V.] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Agustsson, R (reprint author), RadiaBeam Technol LLC, Santa Monica, CA 90404 USA. EM murokh@radiabeam.com FU DARPA [N66001-11-1-4197] FX This work was supported by DARPA under Contract No. N66001-11-1-4197. NR 33 TC 1 Z9 1 U1 3 U2 6 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 2159-3930 J9 OPT MATER EXPRESS JI Opt. Mater. Express PD DEC 1 PY 2015 VL 5 IS 12 BP 2835 EP 2842 DI 10.1364/OME.5.002835 PG 8 WC Materials Science, Multidisciplinary; Optics SC Materials Science; Optics GA CX9SO UT WOS:000366045900013 ER PT J AU Rakhman, A Notcutt, M Liu, Y AF Rakhman, Abdurahim Notcutt, Mark Liu, Yun TI Power enhancement of burst-mode ultraviolet pulses using a doubly resonant optical cavity SO OPTICS LETTERS LA English DT Article ID LASER FREQUENCY STABILIZATION; PARAMETRIC OSCILLATOR; CONTINUOUS-WAVE AB We report a doubly resonant enhancement cavity (DREC) that can realize a simultaneous enhancement of two incoming laser beams at different wavelengths and different temporal structures. The double-resonance condition is theoretically analyzed, and different DREC locking methods are experimentally investigated. Simultaneous locking of a Fabry-Perot cavity to both an infrared (1064 nm) and its frequency-tripled ultraviolet (355 nm) pulses has been demonstrated by controlling the frequency difference between the two beams with a fiber-optic frequency shifter. The DREC technique enables novel applications of optical cavities to power enhancement of burst-mode lasers with arbitrary macropulse width and repetition rate. (C) 2015 Optical Society of America C1 [Rakhman, Abdurahim; Liu, Yun] Oak Ridge Natl Lab, Spallat Neutron Source, Oak Ridge, TN 37831 USA. [Rakhman, Abdurahim] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Notcutt, Mark] Stable Laser Syst, Boulder, CO 80301 USA. RP Liu, Y (reprint author), Oak Ridge Natl Lab, Spallat Neutron Source, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM liuy2@ornl.gov FU U.S. Department of Energy (DOE) [DE-AC05-00OR22725, DE-FG02-13ER41967] FX U.S. Department of Energy (DOE) (DE-AC05-00OR22725, DE-FG02-13ER41967). NR 21 TC 3 Z9 3 U1 1 U2 7 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 0146-9592 EI 1539-4794 J9 OPT LETT JI Opt. Lett. PD DEC 1 PY 2015 VL 40 IS 23 BP 5562 EP 5565 DI 10.1364/OL.40.005562 PG 4 WC Optics SC Optics GA CY0YY UT WOS:000366134100037 PM 26625051 ER PT J AU Khachatryan, V Sirunyan, AM Tumasyan, A Adam, W Bergauer, T Dragicevic, M Eroe, J Friedl, M Fruhwirth, R Ghete, VM Hartl, C Hormann, N Hrubec, J Jeitler, M Kiesenhofer, W Knunz, V Krammer, M Kratschmer, I Liko, D Mikulec, I Rabady, D Rahbaran, B Rohringer, H Schofbeck, R Strauss, J Treberer-Treberspure, W Waltenberger, W Wulz, CE Mossolov, V Shumeiko, N Gonzalez, JS Alderweireldt, S Bansal, S Cornelis, T De Wolf, EA Janssen, X Knutsson, A Lauwers, J Luyckx, S Ochesanu, S Rougny, R Van de Klundert, M Van Haevermaet, H Van Mechelen, P Van Remortel, N Van Spilbeeck, A Blekman, F Blyweert, S D'Hondt, J Daci, N Heracleous, N Keaveney, J Lowette, S Maes, M Olbrechts, A Python, Q Strom, D Tavernier, S Van Doninck, W Van Mulders, P Van Onsem, GP Villella, I Caillol, C Clerbaux, B De Lentdecker, G Dobur, D Favart, L Gay, APR Grebenyuk, A Leonard, A Mohammadi, A Pernie, L Randle-conde, A Reis, T Seva, T Thomas, L Vander Velde, C Vanlaer, P Wang, J Zenoni, F Adler, V Beernaert, K Benucci, L Cimmino, A Costantini, S Crucy, S Fagot, A Garcia, G Mccartin, J Rios, AAO Poyraz, D Ryckbosch, D Salva, S Sigamani, M Strobbe, N Thyssen, F Tytgat, M Yazgan, E Zaganidis, N Basegmez, S Beluffi, C Bruno, G Castello, R Caudron, A Ceard, L Da Silveira, GG Delaere, C du Pree, T Favart, D Forthomme, L Giammanco, A Hollar, J Jafari, A Jez, P Komm, M Lemaitre, V Nuttens, C Pagano, D Perrini, L Pin, A Piotrzkowski, KK Popov, A Quertenmont, LL Selvaggi, M Marono, MV Garcia, JMV Beliy, N Caebergs, T Daubie, E Hammad, GH Aida, WL Alves, GA Brito, L Martins, MC Martins, TD Molina, J Herrera, CM Poi, ME Teles, PR Carvalho, W Chinellato, J Custodio, A Da Costa, EM Damiao, DD Martins, CD De Souza, SF Malbouisson, H Figueiredo, DM Mundim, L Nogima, H Da Silva, WLP Santaolalla, J Santoro, A Sznajder, A Manganote, EJT Pereira, AV Bernardes, CA Dogra, S Tomei, TRFP Gregores, EM Mercadante, PG Novaes, SF Padula, SS Aleksandrov, A Genchey, V Hadjiiska, R Iaydjiev, P Marinov, A Piperov, S Rodozov, M Stoykova, S Sultanov, G Vutova, M Dimitrov, A Glushkov, I Litov, L Pavlov, B Petkov, P Bian, JG Chen, GM Chen, HS Chen, M Cheng, T Du, R Jiang, CH Plestina, R Romeo, F Tao, J Wang, Z Asawatangtrakuldee, C Ban, Y Liu, S Mao, Y Qian, SJ Wang, D Xu, Z Zhang, F Zhang, L Zou, W Avila, C Cabrera, A Sierra, LFC Florez, C Gomez, JP Moreno, BG Sanabria, JC Godinovic, N Lelas, D Polic, D Puljak, I Antunovic, Z Kovac, M Brigljevic, V Kadija, K Luetic, J Mekterovic, D Sudic, L Attikis, A Mavromanolakis, G Mousa, J Nicolaou, C Ptochos, F Razis, PA Rykaczewski, H Bodlak, M Finger, M Finger, M Assran, Y Elgammal, S Kamel, AE Mahmoud, MA Kadastik, M Murumaa, M Raidal, M Tiko, A Eerola, P Voutilainen, M Haerkoenen, J Karimaeki, V Kinnunen, R Kortelainen, MJ Lampen, T Lassila-Perini, K Lehti, S Linden, T Luukka, P Maeenpaeae, T Peltola, T Tuominen, E Tuominiemi, J Tuovinen, E Wendland, L Talvitie, J Tuuva, T Besancon, M Couderc, F Dejardin, M Denegri, D Fabbro, B Faure, JL Favaro, C Ferri, F Ganjour, S Givemaud, A Gras, P de Monchenault, GH Jarry, P Locci, E Malcles, J Rander, J Rosowsky, A Titov, M Baffioni, S Beaudette, F Busson, P Chapon, E Chariot, C Dahms, T Dobrzyns, L Filipovic, N Florent, A de Cassagnac, RG Mastrolorenzo, L Mine, P Naranjo, IN Nguyen, M Ochando, C Ortona, G Paganini, P Regnard, S Salerno, R Sauvan, JB Sirois, Y Veelken, C Yilmaz, Y Zabi, A Agram, JL Andrea, J Aubin, A Bloch, D Brom, JM Chabert, EC Collard, C Conte, E Fontaine, JC Gele, D Goerlach, U Goetzmann, C Le Bilian, AC Skovpen, K Van Hove, P Gadrat, S Beauceron, S Beaupere, N Bernet, C Boudou, G Bouvier, E Brochet, S Montoya, CAC Chasserat, J Chierici, R Contardo, D Courbon, B Depasse, P El Mamouni, H Fan, J Fay, J Gascon, S Gouzevitch, M Ille, B Kurca, T Lethuillier, M Mirabito, L Pequegnot, AL Perries, S Alvarez, JDR Sabes, D Sgandurra, L Sordini, V Vander Donckt, M Verdier, P Viret, S Xiao, H Tsamalaidze, Z Autermann, C Beranek, S Bontenackels, M Edelhoff, M Feld, L Heister, A Klein, K Lipinski, M Ostapchuk, A Preuten, M Raupach, F Sammet, J Schael, S Schulte, JF Weber, H Wittmer, B Zhukov, V Ata, M Brodski, M Dietz-Laursonn, E Duchardt, D Erdmann, M Fischer, R Gueth, A Hebbeker, T Heidemann, C Hoepfner, K Klingebiel, D Knutzen, S Kreuzer, P Merschmeyer, M Meyer, A Millet, P Olschewski, M Padeken, K Papacz, P Reithler, H Schmitz, SA Sonnenschein, L Teyssier, D Thueer, S Cherepanov, V Erdogan, Y Fluegge, G Geenen, H Geisler, M Ahmad, WH Hoehle, F Kargoll, B Kress, T Kuessel, Y Kuensken, A Lingemann, J Nowack, A Nugent, IM Pistone, C Pooth, O Stahl, A Martin, MA Asin, I Bartosik, N Behr, J Behrens, U Bell, AJ Bethani, A Borras, K Burgmeier, A Cakir, A Calligaris, L Campbell, A Choudhury, S Costanza, F Pardos, CD Dolinska, G Dooling, S Dorland, T Eckerlin, G Eckstein, D Eichhorn, T Flucke, G Garcia, JG Geiser, A Gizhko, A Gunnellini, P Hauk, J Hempel, M Jung, HH Kalogeropoulos, A Karacheban, O Kasemann, M Katsas, P Kieseler, J Kleinwort, C Korol, I Kruecker, D Lange, W Leonard, J Lipka, K Lobanov, A Lohmann, W Lutz, B Mankel, R Marfin, I Melzer-Pellmann, IA Meyer, AB Mittag, G Mnich, J Mussgiller, A Naumann-Emme, S Nayak, A Ntomari, E Perrey, H Pitzl, D Placakyte, R Raspereza, A Cipriano, PMR Roland, B Ron, E Sahin, MO Salfeld-Nebgen, J Saxena, P Schoerner-Sadenius, T Schroeder, M Seitz, C Spannage, S Trevino, ADRV Walsh, R Wissing, C Blobel, V Vignali, MC Draeger, AR Erfle, J Garutti, E Goebel, K Goerner, M Haller, J Hoffmann, M Hoeing, RS Junkes, A Kirschenmann, H Klanner, R Kogler, R Lapsien, T Lenz, T Marchesini, I Marconi, D Ott, J Peiffer, T Perieanu, A Pietsch, N Poehlsen, J Poehlsen, T Rathjens, D Sander, C Schettler, H Schleper, P Schlieckau, E Schmidt, A Seidel, M Sola, V Stadie, H Steinbrueck, G Troendle, D Usai, E Vanelderen, L Vanhoefer, A Barth, C Baus, C Berger, J Boeser, C Butz, E Chwalek, T De Boer, W Descroix, A Dierlamm, A Feindt, M Frensch, F Giffels, M Gilbert, A Hartmann, F Hauth, T Husenciann, U Katkov, I Kornnriayer, A Pardo, PL Mozer, MU Mueller, T Mueller, T Nuernberg, A Quast, G Rabbertz, K Roecker, S Simonis, HJ Stober, FM Ulrich, R Wagner-Kuhr, J Wayand, S Weiler, T Wolf, R Anagnostou, G Daskalakis, G Geralis, T Giakoumopoulou, VA Kyriakis, A Loukas, D Markou, A Markou, C Psallidas, A Topsis-Giotis, I Agapitos, A Kesisoglou, S Panagiotou, A Saoulidou, N Stiliaris, E Tziaferi, E Aslanoglou, X Evangelou, I Flouris, G Foudas, C Kokkas, P Manthos, N Papadopoulos, I Paradas, E Strologas, J Bencze, G Hajdu, C Hidas, P Horvath, D Sikler, FF Veszpremi, V Vesztergombi, G Zsigmond, AJ Beni, N Czellar, S Karancsi, J Molnar, J Palinkas, J Szillasi, Z Makovec, A Raics, P Trocsanyi, ZL Ujvari, B Swain, SK Beri, SB Bhatnagar, V Gupta, R Bhawandeep, U Kalsi, AK Kaur, M Kumar, R Mitta, M Nishu, N Singh, JB Kumar, A Kumar, A Ahuja, S Bhardwaj, A Choudhary, BC Kumar, A Malhotra, S Naimuddin, M Ranjan, K Sharma, V Banerjee, S Bhattacharya, S Chatterjee, K Dutta, S Gomber, B Jam, S Jain, S Khurana, R Modak, A Mukherjee, S Roy, D Sarkar, S Sharan, M Abdulsalam, A Dutta, D Kumar, V Mohanty, AK Pant, LM Shukla, P Topkar, A Aziz, T Banerjee, S Bhowmik, S Chatterjee, RM Dewanjee, RK Dugad, S Ganguly, S Ghosh, S Guchait, M Gurtu, A Kole, G Kumar, S Maity, M Majumder, G Mazumdar, K Mohanty, GB Parida, B Sudhakar, K Wickramage, N Sharma, S Bakhshiansohi, H Behnamian, H Etesami, SM Fahim, A Goldouzian, R Khakzad, M Najafabadi, MM Naseri, M Mehdiabadi, SP Hosseinabadi, FR Safarzadeh, B Zeinali, M Felcini, M Grunewald, M Abbrescia, M Calabria, C Chhibra, SS Colaleo, A Creanza, D Cristella, L De Filippis, N De Palma, M Fiore, L Iaselli, G Maggi, G Maggi, M My, S Nuzzo, S Pompili, A Pugliese, G Radogna, R Selvaggi, G Sharma, A Silvestris, L Venditti, R Verwilligen, P Abbiendi, G Benvenuti, AC Bonacorsi, D Braibant-Giacomelli, S Brigliadori, L Campanini, R Capiluppi, P Castro, A Cavallo, FR Codispoti, G Cuffiani, M Dallavalle, GM Fabbri, F Fanfani, A Fasanella, D Giacomelli, P Grandi, C Guiducci, L Marcellini, S Masetti, G Montanari, A Navarria, FL Perrotta, A Rossi, AM Rovelli, T Siroli, GP Tosi, N Travaglini, R Albergo, S Cappello, G Chiorboli, M Costa, S Giordano, F Potenza, R Tricomi, A Tuve, C Barbagli, G Ciulli, V Civinini, C D'Alessandro, R Focardi, E Gallo, E Gonzi, S Gori, V Lenzi, P Meschini, M Paoletti, S Sguazzoni, G Tropiano, A Benussi, L Bianco, S Fabbri, F Piccolo, D Ferretti, R Ferro, F Lo Vetere, M Robutti, E Tosi, S Dinardo, ME Fiorendi, S Gennai, S Gerosa, R Ghezzi, A Govoni, P Lucchini, MT Malvezzi, S Manzoni, RA Martelli, A Marzocchi, B Menasce, D Moroni, L Paganoni, M Pedrini, D Ragazzi, S Redaelli, N de Fatis, TT Buontempo, S Cavallo, N Di Guida, S Fabozzi, F Iorio, AOM Lista, L Meola, S Merola, M Paolucci, P Azzi, P Bacchetta, N Bellato, M Dall'Osso, M Dorigo, T Fantinel, S Gonella, F Gozzelino, A Gulmini, M Lacaprara, S Margoni, M Meneguzzo, AT Montecassiano, F Pazzini, J Pegoraro, M Pozzobon, N Ronchese, P Sgaravatto, M Simonetto, F Torassa, E Tosi, M Vanini, S Ventura, S Zotto, P Zucchetta, A Gabusi, M Ratti, SP Re, V Riccardi, C Salvini, P Vitulo, P Biasini, M Bilei, GM Ciangottini, D Fano, L Lariccia, P Mantovani, G Menichelli, M Saha, A Santocchia, A Spiezia, A Androsov, K Azzurri, P Bagliesi, G Bernardini, J Boccali, T Broccolo, G Castaldi, R Cioccia, MA Dell'Orso, R Donato, S Fedi, G Fiori, F Foa, L Giassi, A Grippo, MT Ligabue, F Lomtadze, T Martini, L Messineo, A Moon, CS Palla, F Rizzi, A Savoy-Navarro, A Serban, AT Spagnolo, P Squillacioti, P Tenchini, R Tonelli, G Venturi, A Verdini, PG Vernieri, C Barone, L Cavallari, F D'imperio, G Del Re, D Diemoz, M Joida, C Longo, E Margaroli, F Meridiani, P Micheli, F Organtini, G Paramatti, R Rahatlou, S Rovelli, C Santanastasio, F Soffi, L Traczyk, P Amapane, N Arcidiacono, R Argiro, S Arneodo, M Bellan, R Biina, C Cartiglia, N Casasso, S Costa, M Covarelli, R Dattola, D Degano, A Demaria, N Finco, L Mariotti, C Maselli, S Migliore, E Monaco, V Musich, M Obertino, MM Pacher, L Pastrone, N Pelliccioni, M Angioni, GLP Romero, A Ruspa, M Sacchi, R Solano, A Staiano, A Tamponi, U Belforte, S Candelise, V Casarsa, M Cossutti, F Della Ricca, G Gobbo, B La Licata, C Marone, M Schizzi, A Umer, T Zanetti, A Chang, S Kropivnitskaya, A Nam, SK Kim, DH Kim, GN Kim, MS Kong, DJ Lee, S Oh, YD Park, H Sakharov, A Son, DC Kim, TJ Ryu, MS Kim, JY Moon, DH Song, S Choi, S Gyun, D Hong, B Kim, H Kim, Y Lee, B Lee, KS Park, SK Roh, Y Yoo, HD Choi, M Kim, JH Park, IC Ryu, G Choi, Y Choi, YK Goh, J Kim, D Kwon, E Lee, J Yu, I Juodagalvis, A Komaragiri, JR Ali, MABM Abdullah, WATW Linares, EC Castilla-Valdez, H De La Cruz-Burelo, E Heredia-de La Cruz, I Hernandez-Almada, A Lopez-Fernandez, R Sanchez-Hernandez, A Moreno, SC Valencia, FV Pedraza, I Ibarguen, HAS Pineda, AM Krofcheck, D Butler, PH Reucroft, S Ahmad, A Ahmad, M Hassan, Q Hoorani, HR Khan, WA Khurshid, T Shoaib, M Bialkowska, H Bluj, M Boimska, B Frueboes, T Gorski, M Kazana, M Nawrocki, K Romanowska-Rybinska, K Szleper, M Zalewski, P Brona, G Bunkowski, K Cwiok, M Dominik, W Doroba, K Kalinowski, A Konecki, M Krolikowski, J Misiura, M Olszewski, M Bargassa, P Silva, CBDE Faccioli, P Parracho, PGF Gallinaro, M Iglesias, LL Nguyen, F Antunes, JR Seixas, J Varela, J Vischia, P Afanasiev, S Bunin, P Gavrilenko, M Golutvin, I Gorbunov, I Kamenev, A Karjavin, V Konoplyanikov, V Laney, A Malakhov, A Matveev, V Moisenz, P Palichik, V Perelygin, V Shmatov, S Skatchkov, N Smirnov, V Zarubin, A Golovtsov, V Ivanov, Y Kim, V Kuznetsova, E Levchenko, P Murzin, V Oreshkin, V Smirnov, I Sulimov, V Uvarov, L Vavilov, S Vorobyev, A Vorobyev, A Andreev, Y Dermenev, A Gninenko, S Golubev, N Kirsanov, M Krasnikov, N Pashenkov, A Tlisov, D Toropin, A Epshteyn, V Gavrilov, V Lychkovskaya, N Popov, V Pozdnyakov, I Safronov, G Semenov, S Spiridonov, A Stolin, V Vlasov, E Zhokin, A Andreev, V Azarkin, M Dremin, I Kirakosyan, M Leonidov, A Mesyats, G Rusakov, SV Vinogradov, A Belyaev, A Boos, E Ershov, A Gribushin, A Khein, L Klyukhin, V Kodolova, O Lokhtin, I Lukina, O Obraztsov, S Petrushanko, S Savrin, V Snigirev, A Azhgirey, I Bayshev, I Bitioukov, S Kachanov, V Kalinin, A Konstantinov, D Krychkine, V Petrov, V Ryutin, R Sobo, A Tourtchanovitch, L Troshin, S Tyurin, N Uzunian, A Volkov, A Adzic, P Ekmedzic, M Milosevic, J Rekovic, V Maestre, JA Battilana, C Calvo, E Cerrada, M Llatas, MC Colino, N De La Cruz, B Peris, AD Vazquez, DD Del Valle, AE Bedoya, CF Ramos, JPF Flix, J Fouz, MC Garcia-Abia, P Lopez, OG Lopez, SG Hernandez, JM Josa, MI De Martino, EN Yzquierdo, APC Pelayo, JP Olmeda, AQ Redondo, I Romero, L Soares, MS Albajar, C de Troconiz, JF Missiroli, M Moran, D Brun, H Cuevas, J Menendez, JF Folgueras, S Caballero, IG Cifuentes, JAB Cabrillo, IJ Calderon, A Campderros, JD Fernandez, M Gomez, G Graziano, A Virto, AL Marco, J Marco, R Riven, CM Matorras, F Sanchez, FJM Gomez, JP Rodrigo, T Rodriguez-Marrero, AY Ruiz-Jimeno, A Scodellaro, L Vila, I Cortabitarte, RV Abbaneo, D Auffray, E Auzinger, G Bachtis, M Baillon, P Ball, AH Barney, D Benaglia, A Bendavid, J Benhabib, L Benitez, JF Bianchi, G Bloch, P Bocci, A Bonato, A Bondu, O Botta, C Breuker, H Camporesi, T Cerminara, G Colafranceschi, S D'Alfonso, M d'Enterria, D Dabrowski, A David, A De Guio, F De Roeck, A De Visscher, S Di Marco, E Dobson, M Dordevic, M Dorney, B Dupont, N Elliott-Peisert, A Eugster, J Franzoni, G Funk, W Gigi, D Gill, K Giordano, D Girone, M Glege, F Guida, R Gundacker, S Guthoff, M Hammer, J Hansen, M Harris, P Hegeman, J Innocente, V Janot, P Kousouris, K Krajczar, K Lecoq, P Lourenco, C Magini, N Malgeri, L Mannelli, M Marrouche, J Masetti, L Meijers, F Mersi, S Meschi, E Moortgat, F Morovic, S Mulders, M Orfanelli, S Orsini, L Pape, L Perez, E Petrilli, A Petrucciani, G Pfeiffer, A Pimilae, M Piparo, D Plagge, M Racz, A Rolandi, G Rovere, M Sakulin, H Schaefer, C Schwick, C Sharma, A Siegrist, P Silva, P Simon, M Rovere, M Sphicas, P Spiga, D Steggemann, J Stieger, B Stoye, M Takahashi, Y Treille, D Tsirou, A Veres, GI Wardle, N Woehri, HK Wollny, H Zeuner, WD Bertl, W Deiters, K Erdmann, W Horisberger, R Ingram, Q Kaestli, HC Kotlinski, D Langenegger, U Renker, D Rohe, T Bachmair, F Baeni, L Bianchini, L Buchmann, MA Casal, B Chanon, N Dissertori, G Dittmar, M Donega, M Duenser, M Eller, P Grab, C Hits, D Hoss, J Kasieczka, G Lustermann, W Mangano, B Marini, AC Marionneau, M del Arbol, PMR Masciovecchio, M Meister, D Mohr, N Musella, P Nageli, C Nessi-Tedaldi, F Pandolfi, F Pauss, F Perrozzi, L Peruzzi, M Quittnat, M Rebane, L Rossini, M Starodumov, A Takahashi, M Theofilatos, K Wallny, R Weber, HA Amsler, C Canelli, MF Chiochia, V De Cosa, A Hinzmann, A Hreus, T Kilminster, B Lange, C Ngadiuba, J Pinna, D Robmann, P Ronga, FJ Taroni, S Yang, Y Cardaci, M Chen, KH Ferro, C Kuo, CM Lin, W Lu, YJ Volpe, R Yu, SS Bartek, R Chang, P Chang, YH Chao, Y Chen, KF Chen, PH Dietz, C Grundler, U Hou, WS Liu, YF Lu, RS Moya, MM Petrakou, E Tsai, JF Tzeng, YM Asavapibhop, B Singh, G Srimanobhas, N Suwonjandee, N Adiguzel, A Bakirci, MN Cerci, S Dozen, C Dumanoglu, I Eskut, E Girgis, S Gokbulut, G Guler, Y Gurpinar, E Hos, I Kangal, EE Topaksu, AK Onengut, G Ozdemir, K Ozturk, S Polatoz, A Cerci, DS Tali, B Topakli, H Vergili, M Zorbilmez, C Akin, IV Bilin, B Bilmis, S Gamsizkan, H Isildak, B Karapinar, G Ocalan, K Sekmen, S Surat, UE Yalvac, M Zeyrek, M Albayrak, EA Guelmez, E Kaya, M Kaya, O Yetkin, T Cankocak, K Vardarli, FI Levchuk, L Sorokin, P Brooke, JJ Clement, E Cussans, D Flacher, H Goldstein, J Grimes, M Heath, GP Heath, HF Jacob, J Kreczko, L Lucas, C Meng, Z Newbold, DM Paramesvaran, S Poll, A Sakuma, T El Nasr-Storey, SS Senkin, S Smith, VJ Bell, KW Belyaev, A Brew, C Brown, RM Cockerill, DJA Coughlan, JA Harder, K Harper, S Olaiya, E Petyt, D Shepherd-Themistocleous, CH Thea, A Tomalin, IR Williamz, T Womersley, WJ Worm, SD Baber, M Bainbridge, R Buchmuller, O Burton, D Colling, D Cripps, N Dauncey, P Davies, G Della Negra, M Dunne, R Elwood, A Ferguson, W Fulcher, J Futyan, D Hall, G Iles, G Jarvis, M Karapostoli, G Kenzie, M Lane, R Lucas, R Lyons, L Magnan, AM Malik, S Mathias, B Nash, J Nikitenko, A Pela, J Pesaresi, M Petridis, K Raymond, DM Rogerson, S Rose, A Seez, C Sharp, P Tapper, AA Acosta, MV Virdee, T Zenz, SC Cole, JE Hobson, PR Khan, A Kyberd, P Leggat, D Leslie, D Reid, ID Symonds, P Teodorescu, L Turner, M Dittmann, J Hatakeyama, K Kasmi, A Liu, H Pastika, N Scarborough, T Wu, Z Charaf, O Cooper, SI Henderson, C Rumerio, P Avetisyan, A Bose, T Fantasia, C Lawson, P Richardson, C Rohlf, J St John, J Sulak, L Alimena, J Berry, E Bhattacharya, S Christopher, G Cutts, D Demiragli, Z Dhingra, N Ferapontov, A Garabedian, A Heintz, U Laird, E Landsberg, G Mao, Z Narain, M Sagir, S Sinthuprasith, T Speer, T Swanson, J Breedon, R Breto, G Sanchez, MCD Chauhan, S Chertok, M Conway, J Conway, R Cox, PT Erbacher, R Gardner, M Ko, W Lander, R Mulhearn, M Pellett, D Pilot, J Ricci-Tam, F Shalhout, S Smith, J Squires, M Stolp, D Tripathi, M Wilbur, S Yohay, R Cousins, R Everaerts, P Farrell, C Hauser, J Ignatenko, M Rakness, G Takasugi, E Valuev, V Weber, M Burt, K Clare, R Ellison, J Gary, JW Hanson, G Heilman, J Paneva, MI Jandir, P Kennedy, E Lacroix, F Long, OR Luthra, A Malberti, M Negrete, MO Shrinivas, A Sumowidagdo, S Wimpenny, S Branson, JG Cerati, GB Cittolin, S D'Agnolo, RT Holzner, A Kelley, R Klein, D Letts, J Macneill, I Olivito, D Padhi, S Palmer, C Pieri, M Sani, M Sharma, V Simon, S Tadel, M Tu, Y Vartak, A Welke, C Wuerthwein, F Yagil, A Della Porta, GZ Barge, D Bradmiller-Feld, J Campagnari, C Danielson, T Dishaw, A Dutta, V Flowers, K Sevilla, MF Geffert, R George, C Golf, F Gouskos, L Incandela, J Justus, C Mccoll, N Mullin, SD Richman, J Stuart, D To, W West, C Yoo, J Apresyan, A Bornheim, A Bunn, J Chen, Y Duarte, J Mott, A Newman, HB Pena, C Pierini, M Spiropulu, M Vlimant, JR Wilkinson, R Xie, S Zhu, RY Azzolini, V Calamba, A Carlson, B Ferguson, T Iiyama, Y Paulini, M Russ, J Vogel, H Vorobiev, I Cumalat, JP Ford, WT Gaz, A Krohn, M Lopez, EL Nauenberg, U Smith, JG Stenson, K Wagner, SR Alexander, J Chatterjee, A Chaves, J Chu, J Dittmer, S Eggert, N Mirman, N Kaufman, GN Patterson, JR Ryd, A Salvati, E Skinnari, L Sun, W Teo, WD Thom, J Thompson, J Tucker, J Weng, Y Winstrom, L Wittich, P Winn, D Abdullin, S Albrow, M Anderson, J Apollinari, G Bauerdick, LAT Beretvas, A Berryhill, J Bhat, PC Bolla, G Burkett, K Butler, JN Cheung, HWK Chlebana, F Cihangir, S Elvira, VD Fisk, I Freeman, J Gottschalk, E Gray, L Green, D Gruenendahl, S Gutsche, O Hanlon, J Hare, D Harris, RM Hirschauer, J Hooberman, B Jindariani, S Johnson, M Joshi, U Klima, B Kreis, B Kwan, S Linacre, J Lincoln, D Lipton, R Liu, T De Sa, RL Lykken, J Maeshima, K Marraffino, JM Outschoom, VIM Maruyama, S Mason, D McBride, P Merke, P Mishra, K Mrenna, S Nahn, S Newman-Holmes, C O'Dell, V Prokofyev, O Sexton-Kennedy, E Soha, A Spalding, WJ Spiegel, L Taylor, LL Tkacyk, S Tran, NV Uplegger, L Vaandering, EW Vidal, R Whitbeck, A Whitmore, J Yang, F Costa, D Avery, P Bortignon, P Bourilkov, D Carver, M Curry, D Das, S De Gruttola, M Di Giovanni, GP Field, RD Fisher, M Furic, IK Hugon, J Konigsberg, J Korytov, A Kypreos, T Low, JF Matchev, K Mei, H Milenovic, P Mitselmakher, G Muniz, L Rinkevicius, A Shchutska, L Snowball, M Sperka, D Yelton, J Zakaria, M Hewamanage, S Linn, S Markowitz, P Martinez, G Rodriguez, JL Adams, JR Adams, T Askew, A Bochenek, J Diamond, B Haas, J Hagopian, S Hagopian, V Johnson, KF Prosper, H Veeraraghavan, V Weinberg, M Baarmand, MM Hohlmann, M Kalakhety, H Yumiceva, F Adams, MR Apanasevich, L Berry, D Belts, RR Bucinskaite, I Cavanaugh, R Evdokimov, O Gauthier, L Gerber, CE Hofman, DJ Kurt, P O'Brien, C Gonzalez, IDS Silkworth, C Turner, P Varelas, N Bilki, B Clarida, W Dilsiz, K Haytmyradov, M Khristenko, V Merlo, JP Mermerkaya, H Mestvirishvili, A Moeller, A Nachtman, J Ogul, H Onel, Y Ozok, F Penzo, A Rahmat, R Sen, S Tan, P Tiras, E Wetzel, J Yi, K Anderson, I Barnett, BA Blumenfeld, B Bolognesi, S Fehling, D Gritsan, AV Maksimovic, P Martin, C Swartz, M Xiao, M Baringer, P Bean, A Benelli, G Bruner, C Gray, J Kenny, RR Majumder, D Malek, M Murray, M Noonan, D Sanders, S Sekaric, J Stringer, R Wang, Q Wood, JS Chakaberia, I Ivanov, A Kaadze, K Khali, S Makouski, M Maravin, Y Saini, LK Skhirtladze, N Svintradze, I Gronberg, J Lange, D Rebassoo, F Wright, D Baden, A Belloni, A Calvert, B Eno, SC Gomez, JJA Hadley, NJ Jabeen, S Kellogg, RG Kolberg, T Lu, Y Mignerey, AC Pedro, K Skuja, A Tonjes, MB Tonwar, SC Apyan, A Barbieri, R Bierwagen, K Busza, W Cali, IA Di Matteo, L Ceballos, GG Goncharov, M Gulhan, D Klute, M Lai, YS Lee, YJ Levin, A Luckey, PD Paus, C Ralph, D Roland, C Roland, G Stephans, GSF Sumorok, K Velicanu, D Veverka, J Wyslouch, B Yang, M Zanetti, M Zhukova, V Dahmes, B Gude, A Kao, SC Klapoetke, K Kubota, Y Mans, J Nourbakhsh, S Rusack, R Singovsky, A Tambe, N Turkewitz, J Acosta, JG Oliveros, S Avdeeva, E Bloom, K Bose, S Claes, DR Dominguez, A Suarez, RG Keller, J Knowlton, D Kravehenko, I Lazo-Flores, J Meier, F Ratnikov, F Snow, GR Zvada, M Dolen, J Godshalk, A Iashvili, I Kharchilava, A Kumar, A Rappoccio, S Alverson, G Barberis, E Baumgarte, D Chasco, M Massironi, A Morse, DM Nash, D Orimoto, T Trocino, D Wang, RJ Wood, D Zhang, J Hahn, KA Kubik, A Mucia, N Odell, N Pollack, B Pozdnyakov, A Schmitt, M Stoynev, S Sung, K Velasco, M Won, S Brinkerhoff, A Chan, KM Drozdetskiy, A Hildreth, M Jessop, C Karmgard, DJ Kellams, N Lannon, K Lynch, S Marinelli, N Musienko, Y Pearson, T Planer, M Ruchti, R Smith, G Valls, N Wayne, M Wolf, M Woodard, A Antonelli, L Brinson, J Bylsma, B Durkin, LS Flowers, S Hart, A Hill, C Hughes, R Kotov, K Ling, TY Luo, W Puigh, D Rodenburg, M Winer, BL Wolfe, H Wulsin, HW Driga, O Elmer, P Hardenbrook, J Hebda, P Koay, SA Lujan, P Marlow, D Medvedeva, T Mooney, M Olsen, J Piroue, P Quan, X Saka, H Stickland, D Tully, C Werner, JS Zuranski, A Brownson, E Malik, S Mendez, H Vargas, JER Barnes, VE Benedetti, D Bortoletto, D Gutay, L Hu, Z Jha, MK Jones, M Jung, K Kress, M Leonardo, N Miller, DH Neumeister, N Primavera, F Radburn-Smith, BC Shi, X Shipsey, I Silvers, D Svyatkovskiy, A Wang, F Xie, W Xu, L Zablocki, J Parashar, N Stupak, J Adair, A Akgun, B Ecklund, KM Geurts, FJM Li, W Michlin, B Padley, BP Redjimi, R Roberts, J Zabel, J Betchart, B Bodek, A De Barbaro, P Demina, R Eshaq, Y Ferbel, T Galanti, M Garcia-Bellido, A Goldenzweig, P Han, J Harel, A Hindrichs, O Khukhunaishvili, A Korjenevski, S Petrillo, G Verzetti, M Vishnevskiy, D Ciesielski, R Demortier, L Goulianos, K Mesropian, C Arora, S Barker, A Chou, JP Contreras-Campana, C Contreras-Campana, E Duggan, D Ferencek, D Gershtein, Y Gray, R Halkiadakis, E Hidas, D Kaplan, S Lath, A Panwalkar, S Park, M Salur, S Schnetzer, S Sheffield, D Somalwar, S Stone, R Thomas, S Thomassen, P Walker, M Rose, K Spanier, S York, A Bouhali, O Hernandez, AC Dalchenko, M De Mattia, M Dildick, S Eusebi, R Flanagan, W Gilmore, J Kamon, T Khotilovich, V Krutelyov, V Montalvo, R Osipenkov, I Pakhotin, Y Patel, R Perloff, A Roe, J Rose, A Safonov, A Suarez, I Tatarinov, A Ulmer, KA Akchurin, N Cowden, C Damgov, J Dragoiu, C Dudero, PR Faulkner, J Kovitanggoon, K Kunori, S Lee, SW Libeiro, T Volobouev, I Appelt, E Delannoy, AG Greene, S Gurrola, A Johns, W Maguire, C Mao, Y Melo, A Sharma, M Sheldon, P Snook, B Tuo, S Velkovska, J Arenton, MW Boutle, S Cox, B Francis, B Goodell, J Hirosky, R Ledovskoy, A Li, H Lin, C Neu, C Wolfe, E Wood, J Clarke, C Harr, R Karchin, PE Don, CKK Lamichhane, P Sturdy, J Belknap, DA Carlsmith, D Cepeda, M Dasu, S Dodd, L Duric, S Friis, E Hall-Wilton, R Herndon, M Herve, A Klabbers, P Lanaro, A Lazaridis, C Levine, A Loveless, R Mohapatra, A Ojalvo, I Perry, T Pierro, GA Polese, G Ross, I Sarangi, T Savin, A Smith, WH Taylor, D Vuosalo, C Woods, N AF Khachatryan, V. Sirunyan, A. M. Tumasyan, A. Adam, W. Bergauer, T. Dragicevic, M. Eroe, J. Friedl, M. Fruehwirth, R. Ghete, V. M. Hartl, C. Hoermann, N. Hrubec, J. Jeitler, M. Kiesenhofer, W. Knuenz, V. Krammer, M. Kraetschmer, I. Liko, D. Mikulec, I. Rabady, D. Rahbaran, B. Rohringer, H. Schoefbeck, R. Strauss, J. Treberer-Treberspure, W. Waltenberger, W. Wulz, C-E. Mossolov, V. Shumeiko, N. Gonzalez, J. Suarez Alderweireldt, S. Bansal, S. Cornelis, T. De Wolf, E. A. Janssen, X. Knutsson, A. Lauwers, J. Luyckx, S. Ochesanu, S. Rougny, R. Van de Klundert, M. Van Haevermaet, H. Van Mechelen, P. Van Remortel, N. Van Spilbeeck, A. Blekman, F. Blyweert, S. D'Hondt, J. Daci, N. Heracleous, N. Keaveney, J. Lowette, S. Maes, M. Olbrechts, A. Python, Q. Strom, D. Tavernier, S. Van Doninck, W. Van Mulders, P. Van Onsem, G. P. Villella, I. Caillol, C. Clerbaux, B. De Lentdecker, G. Dobur, D. Favart, L. Gay, A. P. R. Grebenyuk, A. Leonard, A. Mohammadi, A. Pernie, L. Randle-conde, A. Reis, T. Seva, T. Thomas, L. Vander Velde, C. Vanlaer, P. Wang, J. Zenoni, F. Adler, V. Beernaert, K. Benucci, L. Cimmino, A. Costantini, S. Crucy, S. Fagot, A. Garcia, G. Mccartin, J. Rios, A. A. Ocampo Poyraz, D. Ryckbosch, D. Salva, S. Sigamani, M. Strobbe, N. Thyssen, F. Tytgat, M. Yazgan, E. Zaganidis, N. Basegmez, S. Beluffi, C. Bruno, G. Castello, R. Caudron, A. Ceard, L. Da Silveira, G. G. Delaere, C. du Pree, T. Favart, D. Forthomme, L. Giammanco, A. Hollar, J. Jafari, A. Jez, P. Komm, M. Lemaitre, V. Nuttens, C. Pagano, D. Perrini, L. Pin, A. Piotrzkowski, K. K. Popov, A. Quertenmont, L. L. Selvaggi, M. Marono, M. Vidal Garcia, J. M. Vizan Beliy, N. Caebergs, T. Daubie, E. Hammad, G. H. Aida Junior, W. L. Alves, G. A. Brito, L. Correa Martins Junior, M. Dos Reis Martins, T. Molina, J. Mora Herrera, C. Poi, M. E. Rebello Teles, P. Carvalho, W. Chinellato, J. Custodio, A. Da Costa, E. M. De Jesus Damiao, D. De Oliveira Martins, C. Fonseca De Souza, S. Malbouisson, H. Matos Figueiredo, D. Mundim, L. Nogima, H. Prado Da Silva, W. L. Santaolalla, J. Santoro, A. Sznajder, A. Tonelli Manganote, E. J. Vilela Pereira, A. Bernardes, C. A. Dogra, S. Fernandez Perez Tomei, T. R. Gregores, E. M. Mercadante, P. G. Novaes, S. F. Padula, Sandra S. Aleksandrov, A. Genchey, V. Hadjiiska, R. Iaydjiev, P. Marinov, A. Piperov, S. Rodozov, M. Stoykova, S. Sultanov, G. Vutova, M. Dimitrov, A. Glushkov, I. Litov, L. Pavlov, B. Petkov, P. Bian, J. G. Chen, G. M. Chen, H. S. Chen, M. Cheng, T. Du, R. Jiang, C. H. Plestina, R. Romeo, F. Tao, J. Wang, Z. Asawatangtrakuldee, C. Ban, Y. Liu, S. Mao, Y. Qian, S. J. Wang, D. Xu, Z. Zhang, F. Zhang, L. Zou, W. Avila, C. Cabrera, A. Chaparro Sierra, L. F. Florez, C. Gomez, J. P. Gomez Moreno, B. Sanabria, J. C. Godinovic, N. Lelas, D. Polic, D. Puljak, I. Antunovic, Z. Kovac, M. Brigljevic, V. Kadija, K. Luetic, J. Mekterovic, D. Sudic, L. Attikis, A. Mavromanolakis, G. Mousa, J. Nicolaou, C. Ptochos, F. Razis, P. A. Rykaczewski, H. Bodlak, M. Finger, M. Finger, M., Jr. Assran, Y. Elgammal, S. Kamel, A. Ellithi Mahmoud, M. A. Kadastik, M. Murumaa, M. Raidal, M. Tiko, A. Eerola, P. Voutilainen, M. Haerkoenen, J. Karimaeki, V. Kinnunen, R. Kortelainen, M. J. Lampen, T. Lassila-Perini, K. Lehti, S. Linden, T. Luukka, P. Maeenpaeae, T. Peltola, T. Tuominen, E. Tuominiemi, J. Tuovinen, E. Wendland, L. Talvitie, J. Tuuva, T. Besancon, M. Couderc, F. Dejardin, M. Denegri, D. Fabbro, B. Faure, J. L. Favaro, C. Ferri, F. Ganjour, S. Givemaud, A. Gras, P. de Monchenault, G. Hamel Jarry, P. Locci, E. Malcles, J. Rander, J. Rosowsky, A. Titov, M. Baffioni, S. Beaudette, F. Busson, P. Chapon, E. Chariot, C. Dahms, T. Dobrzyns, L. Filipovic, N. Florent, A. de Cassagnac, R. Granier Mastrolorenzo, L. Mine, P. Naranjo, I. N. Nguyen, M. Ochando, C. Ortona, G. Paganini, P. Regnard, S. Salerno, R. Sauvan, J. B. Sirois, Y. Veelken, C. Yilmaz, Y. Zabi, A. Agram, J-L. Andrea, J. Aubin, A. Bloch, D. Brom, J-M. Chabert, E. C. Collard, C. Conte, E. Fontaine, J-C. Gele, D. Goerlach, U. Goetzmann, C. Le Bilian, A-C. Skovpen, K. Van Hove, P. Gadrat, S. Beauceron, S. Beaupere, N. Bernet, C. Boudou, G. Bouvier, E. Brochet, S. Montoya, C. A. Carrillo Chasserat, J. Chierici, R. Contardo, D. Courbon, B. Depasse, P. El Mamouni, H. Fan, J. Fay, J. Gascon, S. Gouzevitch, M. Ille, B. Kurca, T. Lethuillier, M. Mirabito, L. Pequegnot, A. L. Perries, S. Alvarez, J. D. Ruiz Sabes, D. Sgandurra, L. Sordini, V. Vander Donckt, M. Verdier, P. Viret, S. Xiao, H. Tsamalaidze, Z. Autermann, C. Beranek, S. Bontenackels, M. Edelhoff, M. Feld, L. Heister, A. Klein, K. Lipinski, M. Ostapchuk, A. Preuten, M. Raupach, F. Sammet, J. Schael, S. Schulte, J. F. Weber, H. Wittmer, B. Zhukov, V. Ata, M. Brodski, M. Dietz-Laursonn, E. Duchardt, D. Erdmann, M. Fischer, R. Gueth, A. Hebbeker, T. Heidemann, C. Hoepfner, K. Klingebiel, D. Knutzen, S. Kreuzer, P. Merschmeyer, M. Meyer, A. Millet, P. Olschewski, M. Padeken, K. Papacz, P. Reithler, H. Schmitz, S. A. Sonnenschein, L. Teyssier, D. Thueer, S. Cherepanov, V. Erdogan, Y. Fluegge, G. Geenen, H. Geisler, M. Ahmad, W. Haj Hoehle, F. Kargoll, B. Kress, T. Kuessel, Y. Kuensken, A. Lingemann, J. Nowack, A. Nugent, I. M. Pistone, C. Pooth, O. Stahl, A. Martin, M. Aldaya Asin, I. Bartosik, N. Behr, J. Behrens, U. Bell, A. J. Bethani, A. Borras, K. Burgmeier, A. Cakir, A. Calligaris, L. Campbell, A. Choudhury, S. Costanza, F. Pardos, C. Diez Dolinska, G. Dooling, S. Dorland, T. Eckerlin, G. Eckstein, D. Eichhorn, T. Flucke, G. Garcia, J. Garay Geiser, A. Gizhko, A. Gunnellini, P. Hauk, J. Hempel, M. Jung, H. H. Kalogeropoulos, A. Karacheban, O. Kasemann, M. Katsas, P. Kieseler, J. Kleinwort, C. Korol, I. Kruecker, D. Lange, W. Leonard, J. Lipka, K. Lobanov, A. Lohmann, W. Lutz, B. Mankel, R. Marfin, I. Melzer-Pellmann, I-A. Meyer, A. B. Mittag, G. Mnich, J. Mussgiller, A. Naumann-Emme, S. Nayak, A. Ntomari, E. Perrey, H. Pitzl, D. Placakyte, R. Raspereza, A. Cipriano, P. M. Ribeiro Roland, B. Ron, E. Sahin, M. Oe. Salfeld-Nebgen, J. Saxena, P. Schoerner-Sadenius, T. Schroeder, M. Seitz, C. Spannage, S. Trevino, A. D. R. Vargas Walsh, R. Wissing, C. Blobel, V. Vignali, M. Centis Draeger, A. R. Erfle, J. Garutti, E. Goebel, K. Goerner, M. Haller, J. Hoffmann, M. Hoeing, R. S. Junkes, A. Kirschenmann, H. Klanner, R. Kogler, R. Lapsien, T. Lenz, T. Marchesini, I. Marconi, D. Ott, J. Peiffer, T. Perieanu, A. Pietsch, N. Poehlsen, J. Poehlsen, T. Rathjens, D. Sander, C. Schettler, H. Schleper, P. Schlieckau, E. Schmidt, A. Seidel, M. Sola, V. Stadie, H. Steinbrueck, G. Troendle, D. Usai, E. Vanelderen, L. Vanhoefer, A. Barth, C. Baus, C. Berger, J. Boeser, C. Butz, E. Chwalek, T. De Boer, W. Descroix, A. Dierlamm, A. Feindt, M. Frensch, F. Giffels, M. Gilbert, A. Hartmann, F. Hauth, T. Husenciann, U. Katkov, I. Kornnriayer, A. Pardo, P. Lobelle Mozer, M. U. Mueller, T. Mueller, Th. Nuernberg, A. Quast, G. Rabbertz, K. Roecker, S. Simonis, H. J. Stober, F. M. Ulrich, R. Wagner-Kuhr, J. Wayand, S. Weiler, T. Wolf, R. Anagnostou, G. Daskalakis, G. Geralis, T. Giakoumopoulou, V. A. Kyriakis, A. Loukas, D. Markou, A. Markou, C. Psallidas, A. Topsis-Giotis, I. Agapitos, A. Kesisoglou, S. Panagiotou, A. Saoulidou, N. Stiliaris, E. Tziaferi, E. Aslanoglou, X. Evangelou, I. Flouris, G. Foudas, C. Kokkas, P. Manthos, N. Papadopoulos, I. Paradas, E. Strologas, J. Bencze, G. Hajdu, C. Hidas, P. Horvath, D. Sikler, F. F. Veszpremi, V. Vesztergombi, G. Zsigmond, A. J. Beni, N. Czellar, S. Karancsi, J. Molnar, J. Palinkas, J. Szillasi, Z. Makovec, A. Raics, P. Trocsanyi, Z. L. Ujvari, B. Swain, S. K. Beri, S. B. Bhatnagar, V. Gupta, R. Bhawandeep, U. Kalsi, A. K. Kaur, M. Kumar, R. Mitta, M. Nishu, N. Singh, J. B. Kumar, Ashok Kumar, Arun Ahuja, S. Bhardwaj, A. Choudhary, B. C. Kumar, A. Malhotra, S. Naimuddin, M. Ranjan, K. Sharma, V. Banerjee, S. Bhattacharya, S. Chatterjee, K. Dutta, S. Gomber, B. Jam, Sa Jain, Sh Khurana, R. Modak, A. Mukherjee, S. Roy, D. Sarkar, S. Sharan, M. Abdulsalam, A. Dutta, D. Kumar, V. Mohanty, A. K. Pant, L. M. Shukla, P. Topkar, A. Aziz, T. Banerjee, S. Bhowmik, S. Chatterjee, R. M. Dewanjee, R. K. Dugad, S. Ganguly, S. Ghosh, S. Guchait, M. Gurtu, A. Kole, G. Kumar, S. Maity, M. Majumder, G. Mazumdar, K. Mohanty, G. B. Parida, B. Sudhakar, K. Wickramage, N. Sharma, S. Bakhshiansohi, H. Behnamian, H. Etesami, S. M. Fahim, A. Goldouzian, R. Khakzad, M. Najafabadi, M. Mohammadi Naseri, M. Mehdiabadi, S. Paktinat Hosseinabadi, F. Rezaei Safarzadeh, B. Zeinali, M. Felcini, M. Grunewald, M. Abbrescia, M. Calabria, C. Chhibra, S. S. Colaleo, A. Creanza, D. Cristella, L. De Filippis, N. De Palma, M. Fiore, L. Iaselli, G. Maggi, G. Maggi, M. My, S. Nuzzo, S. Pompili, A. Pugliese, G. Radogna, R. Selvaggi, G. Sharma, A. Silvestris, L. Venditti, R. Verwilligen, P. Abbiendi, G. Benvenuti, A. C. Bonacorsi, D. Braibant-Giacomelli, S. Brigliadori, L. Campanini, R. Capiluppi, P. Castro, A. Cavallo, F. R. Codispoti, G. Cuffiani, M. Dallavalle, G. M. Fabbri, F. Fanfani, A. Fasanella, D. Giacomelli, P. Grandi, C. Guiducci, L. Marcellini, S. Masetti, G. Montanari, A. Navarria, F. L. Perrotta, A. Rossi, A. M. Rovelli, T. Siroli, G. P. Tosi, N. Travaglini, R. Albergo, S. Cappello, G. Chiorboli, M. Costa, S. Giordano, F. Potenza, R. Tricomi, A. Tuve, C. Barbagli, G. Ciulli, V. Civinini, C. D'Alessandro, R. Focardi, E. Gallo, E. Gonzi, S. Gori, V. Lenzi, P. Meschini, M. Paoletti, S. Sguazzoni, G. Tropiano, A. Benussi, L. Bianco, S. Fabbri, F. Piccolo, D. Ferretti, R. Ferro, F. Lo Vetere, M. Robutti, E. Tosi, S. Dinardo, M. E. Fiorendi, S. Gennai, S. Gerosa, R. Ghezzi, A. Govoni, P. Lucchini, M. T. Malvezzi, S. Manzoni, R. A. Martelli, A. Marzocchi, B. Menasce, D. Moroni, L. Paganoni, M. Pedrini, D. Ragazzi, S. Redaelli, N. de Fatis, T. Tabarelli Buontempo, S. Cavallo, N. Di Guida, S. Fabozzi, F. Iorio, A. O. M. Lista, L. Meola, S. Merola, M. Paolucci, P. Azzi, P. Bacchetta, N. Bellato, M. Dall'Osso, M. Dorigo, T. Fantinel, S. Gonella, F. Gozzelino, A. Gulmini, M. Lacaprara, S. Margoni, M. Meneguzzo, A. T. Montecassiano, F. Pazzini, J. Pegoraro, M. Pozzobon, N. Ronchese, P. Sgaravatto, M. Simonetto, F. Torassa, E. Tosi, M. Vanini, S. Ventura, S. Zotto, P. Zucchetta, A. Gabusi, M. Ratti, S. P. Re, V. Riccardi, C. Salvini, P. Vitulo, P. Biasini, M. Bilei, G. M. Ciangottini, D. Fano, L. Lariccia, P. Mantovani, G. Menichelli, M. Saha, A. Santocchia, A. Spiezia, A. Androsov, K. Azzurri, P. Bagliesi, G. Bernardini, J. Boccali, T. Broccolo, G. Castaldi, R. Cioccia, M. A. Dell'Orso, R. Donato, S. Fedi, G. Fiori, F. Foa, L. Giassi, A. Grippo, M. T. Ligabue, F. Lomtadze, T. Martini, L. Messineo, A. Moon, C. S. Palla, F. Rizzi, A. Savoy-Navarro, A. Serban, A. T. Spagnolo, P. Squillacioti, P. Tenchini, R. Tonelli, G. Venturi, A. Verdini, P. G. Vernieri, C. Barone, L. Cavallari, F. D'imperio, G. Del Re, D. Diemoz, M. Joida, C. Longo, E. Margaroli, F. Meridiani, P. Micheli, F. Organtini, G. Paramatti, R. Rahatlou, S. Rovelli, C. Santanastasio, F. Soffi, L. Traczyk, P. Amapane, N. Arcidiacono, R. Argiro, S. Arneodo, M. Bellan, R. Biina, C. Cartiglia, N. Casasso, S. Costa, M. Covarelli, R. Dattola, D. Degano, A. Demaria, N. Finco, L. Mariotti, C. Maselli, S. Migliore, E. Monaco, V. Musich, M. Obertino, M. M. Pacher, L. Pastrone, N. Pelliccioni, M. Angioni, G. L. Pinna Romero, A. Ruspa, M. Sacchi, R. Solano, A. Staiano, A. Tamponi, U. Belforte, S. Candelise, V. Casarsa, M. Cossutti, F. Della Ricca, G. Gobbo, B. La Licata, C. Marone, M. Schizzi, A. Umer, T. Zanetti, A. Chang, S. Kropivnitskaya, A. Nam, S. K. Kim, D. H. Kim, G. N. Kim, M. S. Kong, D. J. Lee, S. Oh, Y. D. Park, H. Sakharov, A. Son, D. C. Kim, T. J. Ryu, M. S. Kim, J. Y. Moon, D. H. Song, S. Choi, S. Gyun, D. Hong, B. Kim, H. Kim, Y. Lee, B. Lee, K. S. Park, S. K. Roh, Y. Yoo, H. D. Choi, M. Kim, J. H. Park, I. C. Ryu, G. Choi, Y. Choi, Y. K. Goh, J. Kim, D. Kwon, E. Lee, J. Yu, I. Juodagalvis, A. Komaragiri, J. R. Ali, M. A. B. Md Abdullah, W. A. T. Wan Linares, E. Casimiro Castilla-Valdez, H. De La Cruz-Burelo, E. Heredia-de La Cruz, I. Hernandez-Almada, A. Lopez-Fernandez, R. Sanchez-Hernandez, A. Moreno, S. Carrillo Valencia, F. Vazquez Pedraza, I. Ibarguen, H. A. Salazar Pineda, A. Morelos Krofcheck, D. Butler, P. H. Reucroft, S. Ahmad, A. Ahmad, M. Hassan, Q. Hoorani, H. R. Khan, W. A. Khurshid, T. Shoaib, M. Bialkowska, H. Bluj, M. Boimska, B. Frueboes, T. Gorski, M. Kazana, M. Nawrocki, K. Romanowska-Rybinska, K. Szleper, M. Zalewski, P. Brona, G. Bunkowski, K. Cwiok, M. Dominik, W. Doroba, K. Kalinowski, A. Konecki, M. Krolikowski, J. Misiura, M. Olszewski, M. Bargassa, P. Beirao Da Cruz E Silva, C. Faccioli, P. Ferreira Parracho, P. G. Gallinaro, M. Lloret Iglesias, L. Nguyen, F. Rodrigues Antunes, J. Seixas, J. Varela, J. Vischia, P. Afanasiev, S. Bunin, P. Gavrilenko, M. Golutvin, I. Gorbunov, I. Kamenev, A. Karjavin, V. Konoplyanikov, V. Laney, A. Malakhov, A. Matveev, V. Moisenz, P. Palichik, V. Perelygin, V. Shmatov, S. Skatchkov, N. Smirnov, V. Zarubin, A. Golovtsov, V. Ivanov, Y. Kim, V. Kuznetsova, E. Levchenko, P. Murzin, V. Oreshkin, V. Smirnov, I. Sulimov, V. Uvarov, L. Vavilov, S. Vorobyev, A. Vorobyev, An. Andreev, Yu. Dermenev, A. Gninenko, S. Golubev, N. Kirsanov, M. Krasnikov, N. Pashenkov, A. Tlisov, D. Toropin, A. Epshteyn, V. Gavrilov, V. Lychkovskaya, N. Popov, V. Pozdnyakov, I. Safronov, G. Semenov, S. Spiridonov, A. Stolin, V. Vlasov, E. Zhokin, A. Andreev, V. Azarkin, M. Dremin, I. Kirakosyan, M. Leonidov, A. Mesyats, G. Rusakov, S. V. Vinogradov, A. Belyaev, A. Boos, E. Ershov, A. Gribushin, A. Khein, L. Klyukhin, V. Kodolova, O. Lokhtin, I. Lukina, O. Obraztsov, S. Petrushanko, S. Savrin, V. Snigirev, A. Azhgirey, I. Bayshev, I. Bitioukov, S. Kachanov, V. Kalinin, A. Konstantinov, D. Krychkine, V. Petrov, V. Ryutin, R. Sobo, A. Tourtchanovitch, L. Troshin, S. Tyurin, N. Uzunian, A. Volkov, A. Adzic, P. Ekmedzic, M. Milosevic, J. Rekovic, V. Alcaraz Maestre, J. Battilana, C. Calvo, E. Cerrada, M. Chamizo Llatas, M. Colino, N. De La Cruz, B. Delgado Peris, A. Dominguez Vazquez, D. Escalante Del Valle, A. Fernandez Bedoya, C. Fernandez Ramos, J. P. Flix, J. Fouz, M. C. Garcia-Abia, P. Gonzalez Lopez, O. Goy Lopez, S. Hernandez, J. M. Josa, M. I. Navarro De Martino, E. Perez-Calero Yzquierdo, A. Puerta Pelayo, J. Quintario Olmeda, A. Redondo, I. Romero, L. Soares, M. S. Albajar, C. de Troconiz, J. F. Missiroli, M. Moran, D. Brun, H. Cuevas, J. Fernandez Menendez, J. Folgueras, S. Gonzalez Caballero, I. Brochero Cifuentes, J. A. Cabrillo, I. J. Calderon, A. Duarte Campderros, J. Fernandez, M. Gomez, G. Graziano, A. Lopez Virto, A. Marco, J. Marco, R. Martinez Riven, C. Matorras, F. Munoz Sanchez, F. J. Piedra Gomez, J. Rodrigo, T. Rodriguez-Marrero, A. Y. Ruiz-Jimeno, A. Scodellaro, L. Vila, I. Vilar Cortabitarte, R. Abbaneo, D. Auffray, E. Auzinger, G. Bachtis, M. Baillon, P. Ball, A. H. Barney, D. Benaglia, A. Bendavid, J. Benhabib, L. Benitez, J. F. Bianchi, G. Bloch, P. Bocci, A. Bonato, A. Bondu, O. Botta, C. Breuker, H. Camporesi, T. Cerminara, G. Colafranceschi, S. D'Alfonso, M. d'Enterria, D. Dabrowski, A. David, A. De Guio, F. De Roeck, A. De Visscher, S. Di Marco, E. Dobson, M. Dordevic, M. Dorney, B. Dupont, N. Elliott-Peisert, A. Eugster, J. Franzoni, G. Funk, W. Gigi, D. Gill, K. Giordano, D. Girone, M. Glege, F. Guida, R. Gundacker, S. Guthoff, M. Hammer, J. Hansen, M. Harris, P. Hegeman, J. Innocente, V. Janot, P. Kousouris, K. Krajczar, K. Lecoq, P. Lourenco, C. Magini, N. Malgeri, L. Mannelli, M. Marrouche, J. Masetti, L. Meijers, F. Mersi, S. Meschi, E. Moortgat, F. Morovic, S. Mulders, M. Orfanelli, S. Orsini, L. Pape, L. Perez, E. Petrilli, A. Petrucciani, G. Pfeiffer, A. Pimilae, M. Piparo, D. Plagge, M. Racz, A. Rolandi, G. Rovere, M. Sakulin, H. Schaefer, C. Schwick, C. Sharma, A. Siegrist, P. Silva, P. Simon, M. Rovere, M. Sphicas, P. Spiga, D. Steggemann, J. Stieger, B. Stoye, M. Takahashi, Y. Treille, D. Tsirou, A. Veres, G. I. Wardle, N. Woehri, H. K. Wollny, H. Zeuner, W. D. Bertl, W. Deiters, K. Erdmann, W. Horisberger, R. Ingram, Q. Kaestli, H. C. Kotlinski, D. Langenegger, U. Renker, D. Rohe, T. Bachmair, F. Baeni, L. Bianchini, L. Buchmann, M. A. Casal, B. Chanon, N. Dissertori, G. Dittmar, M. Donega, M. Duenser, M. Eller, P. Grab, C. Hits, D. Hoss, J. Kasieczka, G. Lustermann, W. Mangano, B. Marini, A. C. Marionneau, M. del Arbol, P. Martinez Ruiz Masciovecchio, M. Meister, D. Mohr, N. Musella, P. Naegeli, C. Nessi-Tedaldi, F. Pandolfi, F. Pauss, F. Perrozzi, L. Peruzzi, M. Quittnat, M. Rebane, L. Rossini, M. Starodumov, A. Takahashi, M. Theofilatos, K. Wallny, R. Weber, H. A. Amsler, C. Canelli, M. F. Chiochia, V. De Cosa, A. Hinzmann, A. Hreus, T. Kilminster, B. Lange, C. Ngadiuba, J. Pinna, D. Robmann, P. Ronga, F. J. Taroni, S. Yang, Y. Cardaci, M. Chen, K. H. Ferro, C. Kuo, C. M. Lin, W. Lu, Y. J. Volpe, R. Yu, S. S. Bartek, R. Chang, P. Chang, Y. H. Chao, Y. Chen, K. F. Chen, P. H. Dietz, C. Grundler, U. Hou, W-S. Liu, Y. F. Lu, R-S. Moya, M. Minano Petrakou, E. Tsai, J. F. Tzeng, Y. M. Asavapibhop, B. Singh, G. Srimanobhas, N. Suwonjandee, N. Adiguzel, A. Bakirci, M. N. Cerci, S. Dozen, C. Dumanoglu, I. Eskut, E. Girgis, S. Gokbulut, G. Guler, Y. Gurpinar, E. Hos, I. Kangal, E. E. Topaksu, A. Kayis Onengut, G. Ozdemir, K. Ozturk, S. Polatoz, A. Cerci, D. Sunar Tali, B. Topakli, H. Vergili, M. Zorbilmez, C. Akin, I. V. Bilin, B. Bilmis, S. Gamsizkan, H. Isildak, B. Karapinar, G. Ocalan, K. Sekmen, S. Surat, U. E. Yalvac, M. Zeyrek, M. Albayrak, E. A. Guelmez, E. Kaya, M. Kaya, O. Yetkin, T. Cankocak, K. Vardarli, F. I. Levchuk, L. Sorokin, P. Brooke, J. J. Clement, E. Cussans, D. Flacher, H. Goldstein, J. Grimes, M. Heath, G. P. Heath, H. F. Jacob, J. Kreczko, L. Lucas, C. Meng, Z. Newbold, D. M. Paramesvaran, S. Poll, A. Sakuma, T. El Nasr-Storey, S. Seif Senkin, S. Smith, V. J. Bell, K. W. Belyaev, A. Brew, C. Brown, R. M. Cockerill, D. J. A. Coughlan, J. A. Harder, K. Harper, S. Olaiya, E. Petyt, D. Shepherd-Themistocleous, C. H. Thea, A. Tomalin, I. R. Williamz, T. Womersley, W. J. Worm, S. D. Baber, M. Bainbridge, R. Buchmuller, O. Burton, D. Colling, D. Cripps, N. Dauncey, P. Davies, G. Della Negra, M. Dunne, R. Elwood, A. Ferguson, W. Fulcher, J. Futyan, D. Hall, G. Iles, G. Jarvis, M. Karapostoli, G. Kenzie, M. Lane, R. Lucas, R. Lyons, L. Magnan, A-M. Malik, S. Mathias, B. Nash, J. Nikitenko, A. Pela, J. Pesaresi, M. Petridis, K. Raymond, D. M. Rogerson, S. Rose, A. Seez, C. Sharp, P. Tapper, A. A. Acosta, M. Vazquez Virdee, T. Zenz, S. C. Cole, J. E. Hobson, P. R. Khan, A. Kyberd, P. Leggat, D. Leslie, D. Reid, I. D. Symonds, P. Teodorescu, L. Turner, M. Dittmann, J. Hatakeyama, K. Kasmi, A. Liu, H. Pastika, N. Scarborough, T. Wu, Z. Charaf, O. Cooper, S. I. Henderson, C. Rumerio, P. Avetisyan, A. Bose, T. Fantasia, C. Lawson, P. Richardson, C. Rohlf, J. St John, J. Sulak, L. Alimena, J. Berry, E. Bhattacharya, S. Christopher, G. Cutts, D. Demiragli, Z. Dhingra, N. Ferapontov, A. Garabedian, A. Heintz, U. Laird, E. Landsberg, G. Mao, Z. Narain, M. Sagir, S. Sinthuprasith, T. Speer, T. Swanson, J. Breedon, R. Breto, G. Sanchez, M. Calderon De La Barca Chauhan, S. Chertok, M. Conway, J. Conway, R. Cox, P. T. Erbacher, R. Gardner, M. Ko, W. Lander, R. Mulhearn, M. Pellett, D. Pilot, J. Ricci-Tam, F. Shalhout, S. Smith, J. Squires, M. Stolp, D. Tripathi, M. Wilbur, S. Yohay, R. Cousins, R. Everaerts, P. Farrell, C. Hauser, J. Ignatenko, M. Rakness, G. Takasugi, E. Valuev, V. Weber, M. Burt, K. Clare, R. Ellison, J. Gary, J. W. Hanson, G. Heilman, J. Paneva, M. Ivova Jandir, P. Kennedy, E. Lacroix, F. Long, O. R. Luthra, A. Malberti, M. Negrete, M. Olmedo Shrinivas, A. Sumowidagdo, S. Wimpenny, S. Branson, J. G. Cerati, G. B. Cittolin, S. D'Agnolo, R. T. Holzner, A. Kelley, R. Klein, D. Letts, J. Macneill, I. Olivito, D. Padhi, S. Palmer, C. Pieri, M. Sani, M. Sharma, V. Simon, S. Tadel, M. Tu, Y. Vartak, A. Welke, C. Wuerthwein, F. Yagil, A. Della Porta, G. Zevi Barge, D. Bradmiller-Feld, J. Campagnari, C. Danielson, T. Dishaw, A. Dutta, V. Flowers, K. Sevilla, M. Franco Geffert, R. George, C. Golf, F. Gouskos, L. Incandela, J. Justus, C. Mccoll, N. Mullin, S. D. Richman, J. Stuart, D. To, W. West, C. Yoo, J. Apresyan, A. Bornheim, A. Bunn, J. Chen, Y. Duarte, J. Mott, A. Newman, H. B. Pena, C. Pierini, M. Spiropulu, M. Vlimant, J. R. Wilkinson, R. Xie, S. Zhu, R. Y. Azzolini, V. Calamba, A. Carlson, B. Ferguson, T. Iiyama, Y. Paulini, M. Russ, J. Vogel, H. Vorobiev, I. Cumalat, J. P. Ford, W. T. Gaz, A. Krohn, M. Lopez, E. Luiggi Nauenberg, U. Smith, J. G. Stenson, K. Wagner, S. R. Alexander, J. Chatterjee, A. Chaves, J. Chu, J. Dittmer, S. Eggert, N. Mirman, N. Kaufman, G. Nicolas Patterson, J. R. Ryd, A. Salvati, E. Skinnari, L. Sun, W. Teo, W. D. Thom, J. Thompson, J. Tucker, J. Weng, Y. Winstrom, L. Wittich, P. Winn, D. Abdullin, S. Albrow, M. Anderson, J. Apollinari, G. Bauerdick, L. A. T. Beretvas, A. Berryhill, J. Bhat, P. C. Bolla, G. Burkett, K. Butler, J. N. Cheung, H. W. K. Chlebana, F. Cihangir, S. Elvira, V. D. Fisk, I. Freeman, J. Gottschalk, E. Gray, L. Green, D. Gruenendahl, S. Gutsche, O. Hanlon, J. Hare, D. Harris, R. M. Hirschauer, J. Hooberman, B. Jindariani, S. Johnson, M. Joshi, U. Klima, B. Kreis, B. Kwan, S. Linacre, J. Lincoln, D. Lipton, R. Liu, T. De Sa, R. Lopes Lykken, J. Maeshima, K. Marraffino, J. M. Outschoom, V. I. Martinez Maruyama, S. Mason, D. McBride, P. Merke, P. Mishra, K. Mrenna, S. Nahn, S. Newman-Holmes, C. O'Dell, V. Prokofyev, O. Sexton-Kennedy, E. Soha, A. Spalding, W. J. Spiegel, L. Taylor, L. L. Tkacyk, S. Tran, N. V. Uplegger, L. Vaandering, E. W. Vidal, R. Whitbeck, A. Whitmore, J. Yang, F. Costa, D. Avery, P. Bortignon, P. Bourilkov, D. Carver, M. Curry, D. Das, S. De Gruttola, M. Di Giovanni, G. P. Field, R. D. Fisher, M. Furic, I. K. Hugon, J. Konigsberg, J. Korytov, A. Kypreos, T. Low, J. F. Matchev, K. Mei, H. Milenovic, P. Mitselmakher, G. Muniz, L. Rinkevicius, A. Shchutska, L. Snowball, M. Sperka, D. Yelton, J. Zakaria, M. Hewamanage, S. Linn, S. Markowitz, P. Martinez, G. Rodriguez, J. L. Adams, J. R. Adams, T. Askew, A. Bochenek, J. Diamond, B. Haas, J. Hagopian, S. Hagopian, V. Johnson, K. F. Prosper, H. Veeraraghavan, V. Weinberg, M. Baarmand, M. M. Hohlmann, M. Kalakhety, H. Yumiceva, F. Adams, M. R. Apanasevich, L. Berry, D. Belts, R. R. Bucinskaite, I. Cavanaugh, R. Evdokimov, O. Gauthier, L. Gerber, C. E. Hofman, D. J. Kurt, P. O'Brien, C. Gonzalez, I. D. Sandoval Silkworth, C. Turner, P. Varelas, N. Bilki, B. Clarida, W. Dilsiz, K. Haytmyradov, M. Khristenko, V. Merlo, J-P. Mermerkaya, H. Mestvirishvili, A. Moeller, A. Nachtman, J. Ogul, H. Onel, Y. Ozok, F. Penzo, A. Rahmat, R. Sen, S. Tan, P. Tiras, E. Wetzel, J. Yi, K. Anderson, I. Barnett, B. A. Blumenfeld, B. Bolognesi, S. Fehling, D. Gritsan, A. V. Maksimovic, P. Martin, C. Swartz, M. Xiao, M. Baringer, P. Bean, A. Benelli, G. Bruner, C. Gray, J. Kenny, R. R., III Majumder, D. Malek, M. Murray, M. Noonan, D. Sanders, S. Sekaric, J. Stringer, R. Wang, Q. Wood, J. S. Chakaberia, I. Ivanov, A. Kaadze, K. Khali, S. Makouski, M. Maravin, Y. Saini, L. K. Skhirtladze, N. Svintradze, I. Gronberg, J. Lange, D. Rebassoo, F. Wright, D. Baden, A. Belloni, A. Calvert, B. Eno, S. C. Gomez, J. J. A. Hadley, N. J. Jabeen, S. Kellogg, R. G. Kolberg, T. Lu, Y. Mignerey, A. C. Pedro, K. Skuja, A. Tonjes, M. B. Tonwar, S. C. Apyan, A. Barbieri, R. Bierwagen, K. Busza, W. Cali, I. A. Di Matteo, L. Ceballos, G. Gomez Goncharov, M. Gulhan, D. Klute, M. Lai, Y. S. Lee, Y-J. Levin, A. Luckey, P. D. Paus, C. Ralph, D. Roland, C. Roland, G. Stephans, G. S. F. Sumorok, K. Velicanu, D. Veverka, J. Wyslouch, B. Yang, M. Zanetti, M. Zhukova, V. Dahmes, B. Gude, A. Kao, S. C. Klapoetke, K. Kubota, Y. Mans, J. Nourbakhsh, S. Rusack, R. Singovsky, A. Tambe, N. Turkewitz, J. Acosta, J. G. Oliveros, S. Avdeeva, E. Bloom, K. Bose, S. Claes, D. R. Dominguez, A. Suarez, R. Gonzalez Keller, J. Knowlton, D. Kravehenko, I. Lazo-Flores, J. Meier, F. Ratnikov, F. Snow, G. R. Zvada, M. Dolen, J. Godshalk, A. Iashvili, I. Kharchilava, A. Kumar, A. Rappoccio, S. Alverson, G. Barberis, E. Baumgarte, D. Chasco, M. Massironi, A. Morse, D. M. Nash, D. Orimoto, T. Trocino, D. Wang, R-J. Wood, D. Zhang, J. Hahn, K. A. Kubik, A. Mucia, N. Odell, N. Pollack, B. Pozdnyakov, A. Schmitt, M. Stoynev, S. Sung, K. Velasco, M. Won, S. Brinkerhoff, A. Chan, K. M. Drozdetskiy, A. Hildreth, M. Jessop, C. Karmgard, D. J. Kellams, N. Lannon, K. Lynch, S. Marinelli, N. Musienko, Y. Pearson, T. Planer, M. Ruchti, R. Smith, G. Valls, N. Wayne, M. Wolf, M. Woodard, A. Antonelli, L. Brinson, J. Bylsma, B. Durkin, L. S. Flowers, S. Hart, A. Hill, C. Hughes, R. Kotov, K. Ling, T. Y. Luo, W. Puigh, D. Rodenburg, M. Winer, B. L. Wolfe, H. Wulsin, H. W. Driga, O. Elmer, P. Hardenbrook, J. Hebda, P. Koay, S. A. Lujan, P. Marlow, D. Medvedeva, T. Mooney, M. Olsen, J. Piroue, P. Quan, X. Saka, H. Stickland, D. Tully, C. Werner, J. S. Zuranski, A. Brownson, E. Malik, S. Mendez, H. Vargas, J. E. Ramirez Barnes, V. E. Benedetti, D. Bortoletto, D. Gutay, L. Hu, Z. Jha, M. K. Jones, M. Jung, K. Kress, M. Leonardo, N. Miller, D. H. Neumeister, N. Primavera, F. Radburn-Smith, B. C. Shi, X. Shipsey, I. Silvers, D. Svyatkovskiy, A. Wang, F. Xie, W. Xu, L. Zablocki, J. Parashar, N. Stupak, J. Adair, A. Akgun, B. Ecklund, K. M. Geurts, F. J. M. Li, W. Michlin, B. Padley, B. P. Redjimi, R. Roberts, J. Zabel, J. Betchart, B. Bodek, A. De Barbaro, P. Demina, R. Eshaq, Y. Ferbel, T. Galanti, M. Garcia-Bellido, A. Goldenzweig, P. Han, J. Harel, A. Hindrichs, O. Khukhunaishvili, A. Korjenevski, S. Petrillo, G. Verzetti, M. Vishnevskiy, D. Ciesielski, R. Demortier, L. Goulianos, K. Mesropian, C. Arora, S. Barker, A. Chou, J. P. Contreras-Campana, C. Contreras-Campana, E. Duggan, D. Ferencek, D. Gershtein, Y. Gray, R. Halkiadakis, E. Hidas, D. Kaplan, S. Lath, A. Panwalkar, S. Park, M. Salur, S. Schnetzer, S. Sheffield, D. Somalwar, S. Stone, R. Thomas, S. Thomassen, P. Walker, M. Rose, K. Spanier, S. York, A. Bouhali, O. Hernandez, A. Castaneda Dalchenko, M. De Mattia, M. Dildick, S. Eusebi, R. Flanagan, W. Gilmore, J. Kamon, T. Khotilovich, V. Krutelyov, V. Montalvo, R. Osipenkov, I. Pakhotin, Y. Patel, R. Perloff, A. Roe, J. Rose, A. Safonov, A. Suarez, I. Tatarinov, A. Ulmer, K. A. Akchurin, N. Cowden, C. Damgov, J. Dragoiu, C. Dudero, P. R. Faulkner, J. Kovitanggoon, K. Kunori, S. Lee, S. W. Libeiro, T. Volobouev, I. Appelt, E. Delannoy, A. G. Greene, S. Gurrola, A. Johns, W. Maguire, C. Mao, Y. Melo, A. Sharma, M. Sheldon, P. Snook, B. Tuo, S. Velkovska, J. Arenton, M. W. Boutle, S. Cox, B. Francis, B. Goodell, J. Hirosky, R. Ledovskoy, A. Li, H. Lin, C. Neu, C. Wolfe, E. Wood, J. Clarke, C. Harr, R. Karchin, P. E. Don, C. Kottachchi Kankanamge Lamichhane, P. Sturdy, J. Belknap, D. A. Carlsmith, D. Cepeda, M. Dasu, S. Dodd, L. Duric, S. Friis, E. Hall-Wilton, R. Herndon, M. Herve, A. Klabbers, P. Lanaro, A. Lazaridis, C. Levine, A. Loveless, R. Mohapatra, A. Ojalvo, I. Perry, T. Pierro, G. A. Polese, G. Ross, I. Sarangi, T. Savin, A. Smith, W. H. Taylor, D. Vuosalo, C. Woods, N. CA CMS Collaboration TI Production of leading charged particles and leading charged-particle jets at small transverse momenta in pp collisions at root s=8 TeV SO PHYSICAL REVIEW D LA English DT Article ID PHYSICS; MODEL; QCD AB The per-event yield of the highest transverse momentum charged particle and charged-particle jet, integrated above a given p(T)(min) threshold starting at p(T)(min) = 0.8 and 1 GeV, respectively, is studied in pp collisions at root s = 8 TeV. The particles and the jets are measured in the pseudorapidity ranges vertical bar n vertical bar < 2.4 and 1.9, respectively. The data are sensitive to the momentum scale at which parton densities saturate in the proton, to multiple partonic interactions, and to other key aspects of the transition between the soft and hard QCD regimes in hadronic collisions. C1 [Khachatryan, V.; Sirunyan, A. M.; Tumasyan, A.] Yerevan Phys Inst, Yerevan 375036, Armenia. [Adam, W.; Bergauer, T.; Dragicevic, M.; Eroe, J.; Friedl, M.; Fruehwirth, R.; Ghete, V. M.; Hartl, C.; Hoermann, N.; Hrubec, J.; Jeitler, M.; Kiesenhofer, W.; Knuenz, V.; Krammer, M.; Kraetschmer, I.; Liko, D.; Mikulec, I.; Rabady, D.; Rahbaran, B.; Rohringer, H.; Schoefbeck, R.; Strauss, J.; Treberer-Treberspure, W.; Waltenberger, W.; Wulz, C-E.] Inst Hochenergiephys OeAW, Vienna, Austria. [Mossolov, V.; Shumeiko, N.; Gonzalez, J. Suarez] Nat Ctr Particle & High Energy Phys, Minsk, Byelarus. [Alderweireldt, S.; Bansal, S.; Cornelis, T.; De Wolf, E. A.; Janssen, X.; Knutsson, A.; Lauwers, J.; Luyckx, S.; Ochesanu, S.; Rougny, R.; Van de Klundert, M.; Van Haevermaet, H.; Van Mechelen, P.; Van Remortel, N.; Van Spilbeeck, A.] Univ Antwerp, B-2020 Antwerp, Belgium. [Blekman, F.; Blyweert, S.; D'Hondt, J.; Daci, N.; Heracleous, N.; Keaveney, J.; Lowette, S.; Maes, M.; Olbrechts, A.; Python, Q.; Strom, D.; Tavernier, S.; Van Doninck, W.; Van Mulders, P.; Van Onsem, G. P.; Villella, I.; Sharma, A.; Silvestris, L.] Vrije Univ Brussel, Brussels, Belgium. [Caillol, C.; Clerbaux, B.; De Lentdecker, G.; Dobur, D.; Favart, L.; Gay, A. P. R.; Grebenyuk, A.; Leonard, A.; Mohammadi, A.; Pernie, L.; Randle-conde, A.; Reis, T.; Seva, T.; Thomas, L.; Vander Velde, C.; Vanlaer, P.; Wang, J.; Zenoni, F.] Univ Libre Bruxelles, Brussels, Belgium. [Adler, V.; Beernaert, K.; Benucci, L.; Cimmino, A.; Costantini, S.; Crucy, S.; Fagot, A.; Garcia, G.; Mccartin, J.; Rios, A. A. Ocampo; Poyraz, D.; Ryckbosch, D.; Salva, S.; Sigamani, M.; Strobbe, N.; Thyssen, F.; Tytgat, M.; Yazgan, E.; Zaganidis, N.] Univ Ghent, B-9000 Ghent, Belgium. [Basegmez, S.; Beluffi, C.; Bruno, G.; Castello, R.; Caudron, A.; Ceard, L.; Da Silveira, G. G.; Delaere, C.; du Pree, T.; Favart, D.; Forthomme, L.; Giammanco, A.; Hollar, J.; Jafari, A.; Jez, P.; Komm, M.; Lemaitre, V.; Nuttens, C.; Pagano, D.; Perrini, L.; Pin, A.; Piotrzkowski, K. K.; Popov, A.; Quertenmont, L. L.; Selvaggi, M.; Marono, M. Vidal; Garcia, J. M. Vizan] Catholic Univ Louvain, Louvain La Neuve, Belgium. [Beliy, N.; Caebergs, T.; Daubie, E.; Hammad, G. H.] Univ Mons, B-7000 Mons, Belgium. [Aida Junior, W. L.; Alves, G. A.; Brito, L.; Correa Martins Junior, M.; Dos Reis Martins, T.; Molina, J.; Mora Herrera, C.; Poi, M. E.; Rebello Teles, P.] Ctr Brasileiro Pesquisas Fis, Rio De Janeiro, Brazil. [Carvalho, W.; Chinellato, J.; Custodio, A.; Da Costa, E. M.; De Jesus Damiao, D.; De Oliveira Martins, C.; Fonseca De Souza, S.; Malbouisson, H.; Matos Figueiredo, D.; Mundim, L.; Nogima, H.; Prado Da Silva, W. L.; Santaolalla, J.; Santoro, A.; Sznajder, A.; Tonelli Manganote, E. J.; Vilela Pereira, A.] Univ Estado Rio de Janeiro, BR-20550011 Rio De Janeiro, Brazil. [Dogra, S.; Fernandez Perez Tomei, T. R.; Novaes, S. F.; Padula, Sandra S.] Univ Estadual Paulista, Sao Paulo, Brazil. [Bernardes, C. A.; Gregores, E. M.; Mercadante, P. G.] Univ Fed ABC, Sao Paulo, Brazil. [Aleksandrov, A.; Genchey, V.; Hadjiiska, R.; Iaydjiev, P.; Marinov, A.; Piperov, S.; Rodozov, M.; Stoykova, S.; Sultanov, G.; Vutova, M.] Bulgarian Acad Sci, Inst Nucl Res & Nucl Energy, Sofia, Bulgaria. [Dimitrov, A.; Glushkov, I.; Litov, L.; Pavlov, B.; Petkov, P.] Univ Sofia, BU-1126 Sofia, Bulgaria. [Bian, J. G.; Chen, G. M.; Chen, H. S.; Chen, M.; Cheng, T.; Du, R.; Jiang, C. H.; Plestina, R.; Romeo, F.; Tao, J.; Wang, Z.] Inst High Energy Phys, Beijing 100039, Peoples R China. [Asawatangtrakuldee, C.; Ban, Y.; Liu, S.; Mao, Y.; Qian, S. J.; Wang, D.; Xu, Z.; Zhang, F.; Zhang, L.; Zou, W.] Peking Univ, State Key Lab Nucl Phys & Technol, Beijing 100871, Peoples R China. [Avila, C.; Cabrera, A.; Chaparro Sierra, L. F.; Florez, C.; Gomez, J. P.; Gomez Moreno, B.; Sanabria, J. C.] Univ Los Andes, Bogota, Colombia. [Godinovic, N.; Lelas, D.; Polic, D.; Puljak, I.] Univ Split, Fac Elect Engn Mech Engn & Naval Architecture, Split, Croatia. [Antunovic, Z.; Kovac, M.] Univ Split, Fac Sci, Split, Croatia. [Brigljevic, V.; Kadija, K.; Luetic, J.; Mekterovic, D.; Sudic, L.] Rudjer Boskovic Inst, Zagreb, Croatia. [Attikis, A.; Mavromanolakis, G.; Mousa, J.; Nicolaou, C.; Ptochos, F.; Razis, P. A.; Rykaczewski, H.] Univ Cyprus, CY-1678 Nicosia, Cyprus. [Bodlak, M.; Finger, M.; Finger, M., Jr.] Charles Univ Prague, Prague, Czech Republic. [Assran, Y.; Elgammal, S.; Kamel, A. Ellithi; Mahmoud, M. A.] Egyptian Network High Energy Phys, Acad Sci Res & Technol Arab Republ Egypt, Cairo, Egypt. [Kadastik, M.; Murumaa, M.; Raidal, M.; Tiko, A.] NICPB, Tallinn, Estonia. [Eerola, P.; Voutilainen, M.] Univ Helsinki, Dept Phys, Helsinki, Finland. [Haerkoenen, J.; Karimaeki, V.; Kinnunen, R.; Kortelainen, M. J.; Lampen, T.; Lassila-Perini, K.; Lehti, S.; Linden, T.; Luukka, P.; Maeenpaeae, T.; Peltola, T.; Tuominen, E.; Tuominiemi, J.; Tuovinen, E.; Wendland, L.] Helsinki Inst Phys, Helsinki, Finland. [Talvitie, J.; Tuuva, T.] Lappeenranta Univ Technol, Lappeenranta, Finland. [Besancon, M.; Couderc, F.; Dejardin, M.; Denegri, D.; Fabbro, B.; Faure, J. L.; Favaro, C.; Ferri, F.; Ganjour, S.; Givemaud, A.; Gras, P.; de Monchenault, G. Hamel; Jarry, P.; Locci, E.; Malcles, J.; Rander, J.; Rosowsky, A.; Titov, M.] CEA Saclay, DSM IRFU, F-91191 Gif Sur Yvette, France. [Baffioni, S.; Beaudette, F.; Busson, P.; Chapon, E.; Chariot, C.; Dahms, T.; Dobrzyns, L.; Filipovic, N.; Florent, A.; de Cassagnac, R. Granier; Mastrolorenzo, L.; Mine, P.; Naranjo, I. N.; Nguyen, M.; Ochando, C.; Ortona, G.; Paganini, P.; Regnard, S.; Salerno, R.; Sauvan, J. B.; Sirois, Y.; Veelken, C.; Yilmaz, Y.; Zabi, A.; Cumalat, J. P.; Ford, W. T.; Gaz, A.; Krohn, M.; Lopez, E. Luiggi; Nauenberg, U.; Smith, J. G.; Stenson, K.; Wagner, S. R.] Ecole Polytech, CNRS, Lab Leprince Ringuet, IN2P3, F-91128 Palaiseau, France. [Agram, J-L.; Andrea, J.; Aubin, A.; Bloch, D.; Brom, J-M.; Chabert, E. C.; Collard, C.; Conte, E.; Fontaine, J-C.; Gele, D.; Goerlach, U.; Goetzmann, C.; Le Bilian, A-C.; Skovpen, K.; Van Hove, P.] Univ Haute Alsace Mulhouse, Inst Pluridisciplinaire Hubert Curien, Univ Strasbourg, CNRS,IN2P3, Strasbourg, France. [Gadrat, S.] CNRS, Ctr Calcul, Inst Natl Phys Nucl & Phys Particules, IN2P3, Villeurbanne, France. [Beauceron, S.; Beaupere, N.; Bernet, C.; Boudou, G.; Bouvier, E.; Brochet, S.; Montoya, C. A. Carrillo; Chasserat, J.; Chierici, R.; Contardo, D.; Courbon, B.; Depasse, P.; El Mamouni, H.; Fan, J.; Fay, J.; Gascon, S.; Gouzevitch, M.; Ille, B.; Kurca, T.; Lethuillier, M.; Mirabito, L.; Pequegnot, A. L.; Perries, S.; Alvarez, J. D. Ruiz; Sabes, D.; Sgandurra, L.; Sordini, V.; Vander Donckt, M.; Verdier, P.; Viret, S.; Xiao, H.] Univ Lyon 1, CNRS, IN2P3, Inst Phys Nucl Lyon, F-69622 Villeurbanne, France. [Tsamalaidze, Z.] Tbilisi State Univ, Inst High Energy Phys & Informatizat, GE-380086 Tbilisi, Rep of Georgia. [Autermann, C.; Beranek, S.; Bontenackels, M.; Edelhoff, M.; Feld, L.; Heister, A.; Klein, K.; Lipinski, M.; Ostapchuk, A.; Preuten, M.; Raupach, F.; Sammet, J.; Schael, S.; Schulte, J. F.; Weber, H.; Wittmer, B.; Zhukov, V.] Rhein Westfal TH Aachen, Phys Inst 1, Aachen, Germany. [Ata, M.; Brodski, M.; Dietz-Laursonn, E.; Duchardt, D.; Erdmann, M.; Fischer, R.; Gueth, A.; Hebbeker, T.; Heidemann, C.; Hoepfner, K.; Klingebiel, D.; Knutzen, S.; Kreuzer, P.; Merschmeyer, M.; Meyer, A.; Millet, P.; Olschewski, M.; Padeken, K.; Papacz, P.; Reithler, H.; Schmitz, S. A.; Sonnenschein, L.; Teyssier, D.; Thueer, S.] Rhein Westfal TH Aachen, Phys Inst A 3, Aachen, Germany. [Cherepanov, V.; Erdogan, Y.; Fluegge, G.; Geenen, H.; Geisler, M.; Ahmad, W. Haj; Hoehle, F.; Kargoll, B.; Kress, T.; Kuessel, Y.; Kuensken, A.; Lingemann, J.; Nowack, A.; Nugent, I. M.; Pistone, C.; Pooth, O.; Stahl, A.] Rhein Westfal TH Aachen, Phys Inst B 3, Aachen, Germany. [Martin, M. Aldaya; Asin, I.; Bartosik, N.; Behr, J.; Behrens, U.; Bell, A. J.; Bethani, A.; Borras, K.; Burgmeier, A.; Cakir, A.; Calligaris, L.; Campbell, A.; Choudhury, S.; Costanza, F.; Pardos, C. Diez; Dolinska, G.; Dooling, S.; Dorland, T.; Eckerlin, G.; Eckstein, D.; Eichhorn, T.; Flucke, G.; Garcia, J. Garay; Geiser, A.; Gizhko, A.; Gunnellini, P.; Hauk, J.; Hempel, M.; Jung, H. H.; Kalogeropoulos, A.; Karacheban, O.; Kasemann, M.; Katsas, P.; Kieseler, J.; Kleinwort, C.; Korol, I.; Kruecker, D.; Lange, W.; Leonard, J.; Lipka, K.; Lobanov, A.; Lohmann, W.; Lutz, B.; Mankel, R.; Marfin, I.; Melzer-Pellmann, I-A.; Meyer, A. B.; Mittag, G.; Mnich, J.; Mussgiller, A.; Naumann-Emme, S.; Nayak, A.; Ntomari, E.; Perrey, H.; Pitzl, D.; Placakyte, R.; Raspereza, A.; Cipriano, P. M. Ribeiro; Roland, B.; Ron, E.; Sahin, M. Oe.; Salfeld-Nebgen, J.; Saxena, P.; Schoerner-Sadenius, T.; Schroeder, M.; Seitz, C.; Spannage, S.; Trevino, A. D. R. Vargas; Walsh, R.; Wissing, C.; Steinbrueck, G.] DESY, Hamburg, Germany. [Blobel, V.; Vignali, M. Centis; Draeger, A. R.; Erfle, J.; Garutti, E.; Goebel, K.; Goerner, M.; Haller, J.; Hoffmann, M.; Hoeing, R. S.; Junkes, A.; Kirschenmann, H.; Klanner, R.; Kogler, R.; Lapsien, T.; Lenz, T.; Marchesini, I.; Marconi, D.; Ott, J.; Peiffer, T.; Perieanu, A.; Pietsch, N.; Poehlsen, J.; Poehlsen, T.; Rathjens, D.; Sander, C.; Schettler, H.; Schleper, P.; Schlieckau, E.; Schmidt, A.; Seidel, M.; Sola, V.; Stadie, H.; Troendle, D.; Usai, E.; Vanelderen, L.; Vanhoefer, A.] Univ Hamburg, Hamburg, Germany. [Barth, C.; Baus, C.; Berger, J.; Boeser, C.; Butz, E.; Chwalek, T.; De Boer, W.; Descroix, A.; Dierlamm, A.; Feindt, M.; Frensch, F.; Giffels, M.; Gilbert, A.; Hartmann, F.; Hauth, T.; Husenciann, U.; Katkov, I.; Kornnriayer, A.; Pardo, P. Lobelle; Mozer, M. U.; Mueller, T.; Mueller, Th.; Nuernberg, A.; Quast, G.; Rabbertz, K.; Roecker, S.; Simonis, H. J.; Stober, F. M.; Ulrich, R.; Wagner-Kuhr, J.; Wayand, S.; Weiler, T.; Wolf, R.] Univ Karlsruhe, Inst Expt Kernphys, Karlsruhe, Germany. [Anagnostou, G.; Daskalakis, G.; Geralis, T.; Giakoumopoulou, V. A.; Kyriakis, A.; Loukas, D.; Markou, A.; Markou, C.; Psallidas, A.; Topsis-Giotis, I.] NCSR Demokritos, INPP, Aghia Paraskevi, Greece. [Agapitos, A.; Kesisoglou, S.; Panagiotou, A.; Saoulidou, N.; Stiliaris, E.; Tziaferi, E.] Univ Athens, Athens, Greece. [Aslanoglou, X.; Evangelou, I.; Flouris, G.; Foudas, C.; Kokkas, P.; Manthos, N.; Papadopoulos, I.; Paradas, E.; Strologas, J.] Univ Ioannina, GR-45110 Ioannina, Greece. [Bencze, G.; Hajdu, C.; Hidas, P.; Horvath, D.; Sikler, F. F.; Veszpremi, V.; Vesztergombi, G.; Zsigmond, A. J.] Wigner Res Ctr Phys, Budapest, Hungary. [Beni, N.; Czellar, S.; Karancsi, J.; Molnar, J.; Palinkas, J.; Szillasi, Z.; Makovec, A.] Inst Nucl Res ATOMKI, Debrecen, Hungary. [Raics, P.; Trocsanyi, Z. L.; Ujvari, B.] Univ Debrecen, Debrecen, Hungary. [Swain, S. K.] Natl Inst Sci Educ & Res, Bhubaneswar, Orissa, India. [Beri, S. B.; Bhatnagar, V.; Gupta, R.; Bhawandeep, U.; Kalsi, A. K.; Kaur, M.; Kumar, R.; Mitta, M.; Nishu, N.; Singh, J. B.] Panjab Univ, Chandigarh 160014, India. [Kumar, Ashok; Kumar, Arun; Ahuja, S.; Bhardwaj, A.; Choudhary, B. C.; Kumar, A.; Malhotra, S.; Naimuddin, M.; Ranjan, K.; Sharma, V.] Univ Delhi, Delhi 110007, India. [Banerjee, S.; Bhattacharya, S.; Chatterjee, K.; Dutta, S.; Gomber, B.; Jam, Sa; Jain, Sh; Khurana, R.; Modak, A.; Mukherjee, S.; Roy, D.; Sarkar, S.; Sharan, M.] Saha Inst Nucl Phys, Kolkata, India. [Abdulsalam, A.; Dutta, D.; Kumar, V.; Mohanty, A. K.; Shukla, P.; Topkar, A.] Bhabha Atom Res Ctr, Bombay 400085, Maharashtra, India. [Aziz, T.; Banerjee, S.; Bhowmik, S.; Chatterjee, R. M.; Dewanjee, R. K.; Dugad, S.; Ganguly, S.; Ghosh, S.; Guchait, M.; Gurtu, A.; Kole, G.; Kumar, S.; Maity, M.; Majumder, G.; Mazumdar, K.; Mohanty, G. B.; Parida, B.; Sudhakar, K.; Wickramage, N.] Tata Inst Fundamental Res, Bombay 400005, Maharashtra, India. [Sharma, S.] IISER, Pune, Maharashtra, India. [Bakhshiansohi, H.; Behnamian, H.; Etesami, S. M.; Fahim, A.; Goldouzian, R.; Khakzad, M.; Najafabadi, M. Mohammadi; Naseri, M.; Mehdiabadi, S. Paktinat; Hosseinabadi, F. Rezaei; Safarzadeh, B.; Zeinali, M.] Inst Res Fundamental Sci IPM, Tehran, Iran. [Felcini, M.; Grunewald, M.] Univ Coll Dublin, Dublin 2, Ireland. [Abbrescia, M.; Calabria, C.; Chhibra, S. S.; Colaleo, A.; Creanza, D.; Cristella, L.; De Filippis, N.; De Palma, M.; Fiore, L.; Iaselli, G.; Maggi, G.; Maggi, M.; My, S.; Nuzzo, S.; Pompili, A.; Pugliese, G.; Radogna, R.; Selvaggi, G.; Venditti, R.; Verwilligen, P.] Ist Nazl Fis Nucl, Sez Bari, I-70126 Bari, Italy. [Abbrescia, M.; Calabria, C.; Chhibra, S. S.; Cristella, L.; De Palma, M.; Nuzzo, S.; Pompili, A.; Radogna, R.; Selvaggi, G.; Venditti, R.] Univ Bari, Bari, Italy. [Creanza, D.; De Filippis, N.; Iaselli, G.; Maggi, G.; My, S.; Pugliese, G.] Politecn Bari, Bari, Italy. [Abbiendi, G.; Benvenuti, A. C.; Bonacorsi, D.; Braibant-Giacomelli, S.; Brigliadori, L.; Campanini, R.; Capiluppi, P.; Castro, A.; Cavallo, F. R.; Codispoti, G.; Cuffiani, M.; Dallavalle, G. M.; Fabbri, F.; Fanfani, A.; Fasanella, D.; Giacomelli, P.; Grandi, C.; Guiducci, L.; Marcellini, S.; Masetti, G.; Montanari, A.; Navarria, F. L.; Perrotta, A.; Rossi, A. M.; Rovelli, T.; Siroli, G. P.; Tosi, N.; Travaglini, R.] Ist Nazl Fis Nucl, Sez Bologna, I-40126 Bologna, Italy. [Bonacorsi, D.; Braibant-Giacomelli, S.; Brigliadori, L.; Campanini, R.; Capiluppi, P.; Castro, A.; Codispoti, G.; Cuffiani, M.; Fanfani, A.; Fasanella, D.; Guiducci, L.; Navarria, F. L.; Rossi, A. M.; Rovelli, T.; Siroli, G. P.; Tosi, N.; Travaglini, R.] Univ Bologna, Bologna, Italy. [Albergo, S.; Cappello, G.; Chiorboli, M.; Costa, S.; Giordano, F.; Potenza, R.; Tricomi, A.; Tuve, C.] Ist Nazl Fis Nucl, Sez Catania, I-95129 Catania, Italy. [Albergo, S.; Chiorboli, M.; Costa, S.; Potenza, R.; Tricomi, A.; Tuve, C.] Univ Catania, Catania, Italy. CSFNSM, Catania, Italy. [Barbagli, G.; Ciulli, V.; Civinini, C.; D'Alessandro, R.; Focardi, E.; Gallo, E.; Gonzi, S.; Gori, V.; Lenzi, P.; Meschini, M.; Paoletti, S.; Sguazzoni, G.; Tropiano, A.] Ist Nazl Fis Nucl, Sez Firenze, I-50125 Florence, Italy. [Ciulli, V.; D'Alessandro, R.; Focardi, E.; Gonzi, S.; Gori, V.; Lenzi, P.; Tropiano, A.] Univ Florence, Florence, Italy. [Benussi, L.; Bianco, S.; Fabbri, F.; Piccolo, D.] Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy. [Ferretti, R.; Ferro, F.; Lo Vetere, M.; Robutti, E.; Tosi, S.] Ist Nazl Fis Nucl, Sez Genova, I-16146 Genoa, Italy. [Ferretti, R.; Lo Vetere, M.; Tosi, S.] Univ Genoa, Genoa, Italy. [Dinardo, M. E.; Fiorendi, S.; Gennai, S.; Gerosa, R.; Ghezzi, A.; Govoni, P.; Lucchini, M. T.; Malvezzi, S.; Manzoni, R. A.; Martelli, A.; Marzocchi, B.; Menasce, D.; Moroni, L.; Paganoni, M.; Pedrini, D.; Ragazzi, S.; Redaelli, N.; de Fatis, T. Tabarelli] Ist Nazl Fis Nucl, Sez Milano Bicocca, I-20133 Milan, Italy. [Dinardo, M. E.; Fiorendi, S.; Gerosa, R.; Ghezzi, A.; Govoni, P.; Lucchini, M. T.; Manzoni, R. A.; Martelli, A.; Marzocchi, B.; Paganoni, M.; Ragazzi, S.; de Fatis, T. Tabarelli] Univ Milano Bicocca, Milan, Italy. [Buontempo, S.; Cavallo, N.; Di Guida, S.; Fabozzi, F.; Iorio, A. O. M.; Lista, L.; Meola, S.; Merola, M.; Paolucci, P.] Ist Nazl Fis Nucl, Sez Napoli, I-80125 Naples, Italy. [Iorio, A. O. M.] Univ Naples Federico II, Naples, Italy. [Cavallo, N.; Fabozzi, F.] Univ Basilicata, I-85100 Potenza, Italy. [Di Guida, S.; Meola, S.] Univ G Marconi, Rome, Italy. [Azzi, P.; Bacchetta, N.; Bellato, M.; Dall'Osso, M.; Dorigo, T.; Fantinel, S.; Gonella, F.; Gozzelino, A.; Gulmini, M.; Lacaprara, S.; Margoni, M.; Meneguzzo, A. T.; Montecassiano, F.; Pazzini, J.; Pegoraro, M.; Pozzobon, N.; Ronchese, P.; Sgaravatto, M.; Simonetto, F.; Torassa, E.; Tosi, M.; Vanini, S.; Ventura, S.; Zotto, P.; Zucchetta, A.] Ist Nazl Fis Nucl, Sez Padova, Padua, Italy. [Dall'Osso, M.; Margoni, M.; Meneguzzo, A. T.; Pazzini, J.; Pozzobon, N.; Ronchese, P.; Simonetto, F.; Tosi, M.; Vanini, S.; Zotto, P.; Zucchetta, A.] Univ Padua, Padua, Italy. Univ Trento, Trento, Italy. [Gabusi, M.; Ratti, S. P.; Re, V.; Riccardi, C.; Salvini, P.; Vitulo, P.] Ist Nazl Fis Nucl, Sez Pavia, I-27100 Pavia, Italy. [Gabusi, M.; Ratti, S. P.; Riccardi, C.; Vitulo, P.] Univ Pavia, I-27100 Pavia, Italy. [Biasini, M.; Bilei, G. M.; Ciangottini, D.; Fano, L.; Lariccia, P.; Mantovani, G.; Menichelli, M.; Saha, A.; Santocchia, A.; Spiezia, A.] Ist Nazl Fis Nucl, Sez Perugia, I-06100 Perugia, Italy. [Biasini, M.; Ciangottini, D.; Fano, L.; Lariccia, P.; Mantovani, G.; Santocchia, A.; Spiezia, A.] Univ Perugia, I-06100 Perugia, Italy. [Androsov, K.; Azzurri, P.; Bagliesi, G.; Bernardini, J.; Boccali, T.; Broccolo, G.; Castaldi, R.; Cioccia, M. A.; Dell'Orso, R.; Donato, S.; Fedi, G.; Fiori, F.; Foa, L.; Giassi, A.; Grippo, M. T.; Ligabue, F.; Lomtadze, T.; Martini, L.; Messineo, A.; Moon, C. S.; Palla, F.; Rizzi, A.; Savoy-Navarro, A.; Serban, A. T.; Spagnolo, P.; Squillacioti, P.; Tenchini, R.; Tonelli, G.; Venturi, A.; Verdini, P. G.; Vernieri, C.] Ist Nazl Fis Nucl, Sez Pisa, Pisa, Italy. [Martini, L.; Messineo, A.; Rizzi, A.; Tonelli, G.] Univ Pisa, Pisa, Italy. [Broccolo, G.; Donato, S.; Fiori, F.; Foa, L.; Ligabue, F.; Vernieri, C.] Scuola Normale Super Pisa, Pisa, Italy. [Barone, L.; Cavallari, F.; D'imperio, G.; Del Re, D.; Diemoz, M.; Joida, C.; Longo, E.; Margaroli, F.; Meridiani, P.; Micheli, F.; Organtini, G.; Paramatti, R.; Rahatlou, S.; Rovelli, C.; Santanastasio, F.; Soffi, L.; Traczyk, P.] Ist Nazl Fis Nucl, Sez Roma, Rome, Italy. [Barone, L.; D'imperio, G.; Del Re, D.; Longo, E.; Margaroli, F.; Micheli, F.; Organtini, G.; Rahatlou, S.; Santanastasio, F.; Soffi, L.; Traczyk, P.] Univ Rome, Rome, Italy. [Amapane, N.; Arcidiacono, R.; Argiro, S.; Arneodo, M.; Bellan, R.; Biina, C.; Cartiglia, N.; Casasso, S.; Costa, M.; Covarelli, R.; Dattola, D.; Degano, A.; Demaria, N.; Finco, L.; Mariotti, C.; Maselli, S.; Migliore, E.; Monaco, V.; Musich, M.; Obertino, M. M.; Pacher, L.; Pastrone, N.; Pelliccioni, M.; Angioni, G. L. Pinna; Romero, A.; Ruspa, M.; Sacchi, R.; Solano, A.; Staiano, A.; Tamponi, U.] Ist Nazl Fis Nucl, Sez Torino, I-10125 Turin, Italy. [Amapane, N.; Argiro, S.; Bellan, R.; Casasso, S.; Costa, M.; Degano, A.; Finco, L.; Migliore, E.; Monaco, V.; Pacher, L.; Angioni, G. L. Pinna; Romero, A.; Sacchi, R.; Solano, A.] Univ Turin, Turin, Italy. [Arcidiacono, R.; Arneodo, M.; Obertino, M. M.; Ruspa, M.] Univ Piemonte Orientate, Novara, Italy. [Belforte, S.; Candelise, V.; Casarsa, M.; Cossutti, F.; Della Ricca, G.; Gobbo, B.; La Licata, C.; Marone, M.; Schizzi, A.; Umer, T.; Zanetti, A.] Ist Nazl Fis Nucl, Sez Trieste, Trieste, Italy. [Candelise, V.; Della Ricca, G.; La Licata, C.; Marone, M.; Schizzi, A.; Umer, T.] Univ Trieste, Trieste, Italy. [Chang, S.; Kropivnitskaya, A.; Nam, S. K.] Kangwon Natl Univ, Chunchon, South Korea. [Kim, D. H.; Kim, G. N.; Kim, M. S.; Kong, D. J.; Lee, S.; Oh, Y. D.; Park, H.; Sakharov, A.; Son, D. C.] Kyungpook Natl Univ, Taegu, South Korea. [Kim, T. J.; Ryu, M. S.] Chonbuk Natl Univ, Jeonju 561756, South Korea. [Kim, J. Y.; Moon, D. H.; Song, S.] Chonnam Natl Univ, Inst Universe & Elementary Particles, Kwangju, South Korea. [Choi, S.; Gyun, D.; Hong, B.; Kim, H.; Kim, Y.; Lee, B.; Lee, K. S.; Park, S. K.; Roh, Y.] Korea Univ, Seoul, South Korea. [Yoo, H. D.] Seoul Natl Univ, Seoul, South Korea. [Choi, M.; Kim, J. H.; Park, I. C.; Ryu, G.] Univ Seoul, Seoul, South Korea. [Choi, Y.; Choi, Y. K.; Goh, J.; Kim, D.; Kwon, E.; Lee, J.; Yu, I.] Sungkyunkwan Univ, Suwon, South Korea. [Juodagalvis, A.] Vilnius State Univ, Vilnius, Lithuania. [Komaragiri, J. R.; Ali, M. A. B. Md; Abdullah, W. A. T. Wan] Univ Malaya, Natl Ctr Particle Phys, Kuala Lumpur, Malaysia. [Linares, E. Casimiro; Castilla-Valdez, H.; De La Cruz-Burelo, E.; Heredia-de La Cruz, I.; Hernandez-Almada, A.; Lopez-Fernandez, R.; Sanchez-Hernandez, A.] IPN, Ctr Invest Estudios Avanzados, Mexico City 07738, DF, Mexico. [Moreno, S. Carrillo; Valencia, F. Vazquez] Univ Iberoamer, Mexico City, DF, Mexico. [Pedraza, I.; Ibarguen, H. A. Salazar] Benemerita Univ Autonoma Puebla, Puebla, Mexico. [Pineda, A. Morelos] Univ Autonoma San Luis Potosi, San Luis Potosi, Mexico. [Krofcheck, D.] Univ Auckland, Auckland 1, New Zealand. [Butler, P. H.; Reucroft, S.] Univ Canterbury, Christchurch 1, New Zealand. [Ahmad, A.; Ahmad, M.; Hassan, Q.; Hoorani, H. R.; Khan, W. A.; Khurshid, T.; Shoaib, M.] Quaid I Azam Univ, Natl Ctr Phys, Islamabad, Pakistan. [Bialkowska, H.; Bluj, M.; Boimska, B.; Frueboes, T.; Gorski, M.; Kazana, M.; Nawrocki, K.; Romanowska-Rybinska, K.; Szleper, M.; Zalewski, P.] Natl Ctr Nucl Res, Otwock, Poland. [Brona, G.; Bunkowski, K.; Cwiok, M.; Dominik, W.; Doroba, K.; Kalinowski, A.; Konecki, M.; Krolikowski, J.; Misiura, M.; Olszewski, M.] Univ Warsaw, Inst Expt Phys, Fac Phys, Warsaw, Poland. [Bargassa, P.; Beirao Da Cruz E Silva, C.; Faccioli, P.; Ferreira Parracho, P. G.; Gallinaro, M.; Lloret Iglesias, L.; Nguyen, F.; Rodrigues Antunes, J.; Seixas, J.; Varela, J.; Vischia, P.] Lab Instrumentacao & Fis Expt Particulas, Lisbon, Portugal. [Afanasiev, S.; Bunin, P.; Gavrilenko, M.; Golutvin, I.; Gorbunov, I.; Kamenev, A.; Karjavin, V.; Konoplyanikov, V.; Laney, A.; Malakhov, A.; Matveev, V.; Moisenz, P.; Palichik, V.; Perelygin, V.; Shmatov, S.; Skatchkov, N.; Smirnov, V.; Zarubin, A.] Joint Inst Nucl Res, Dubna, Russia. [Golovtsov, V.; Ivanov, Y.; Kim, V.; Kuznetsova, E.; Levchenko, P.; Murzin, V.; Oreshkin, V.; Smirnov, I.; Sulimov, V.; Uvarov, L.; Vavilov, S.; Vorobyev, A.; Vorobyev, An.] Petersburg Nucl Phys Inst, St Petersburg, Russia. [Andreev, Yu.; Dermenev, A.; Gninenko, S.; Golubev, N.; Kirsanov, M.; Krasnikov, N.; Pashenkov, A.; Tlisov, D.; Toropin, A.] Russian Acad Sci, Inst Nucl Res, Moscow 117312, Russia. [Epshteyn, V.; Gavrilov, V.; Lychkovskaya, N.; Popov, V.; Pozdnyakov, I.; Safronov, G.; Semenov, S.; Spiridonov, A.; Stolin, V.; Vlasov, E.; Zhokin, A.] Inst Theoret & Expt Phys, Moscow 117259, Russia. [Andreev, V.; Azarkin, M.; Dremin, I.; Kirakosyan, M.; Leonidov, A.; Mesyats, G.; Rusakov, S. V.; Vinogradov, A.] PN Lebedev Phys Inst, Moscow 117924, Russia. [Belyaev, A.; Boos, E.; Ershov, A.; Gribushin, A.; Khein, L.; Klyukhin, V.; Kodolova, O.; Lokhtin, I.; Lukina, O.; Obraztsov, S.; Petrushanko, S.; Savrin, V.; Snigirev, A.] Moscow MV Lomonosov State Univ, Skobeltsyn Inst Nucl Phys, Moscow, Russia. [Azhgirey, I.; Bayshev, I.; Bitioukov, S.; Kachanov, V.; Kalinin, A.; Konstantinov, D.; Krychkine, V.; Petrov, V.; Ryutin, R.; Sobo, A.; Tourtchanovitch, L.; Troshin, S.; Tyurin, N.; Uzunian, A.; Volkov, A.] Inst High Energy Phys, State Res Ctr Russian Federat, Protvino, Russia. [Adzic, P.; Ekmedzic, M.; Milosevic, J.; Rekovic, V.] Univ Belgrade, Fac Phys, Belgrade 11001, Serbia. [Adzic, P.; Ekmedzic, M.; Milosevic, J.; Rekovic, V.] Vinca Inst Nucl Sci, Belgrade, Serbia. [Alcaraz Maestre, J.; Battilana, C.; Calvo, E.; Cerrada, M.; Chamizo Llatas, M.; Colino, N.; De La Cruz, B.; Delgado Peris, A.; Dominguez Vazquez, D.; Escalante Del Valle, A.; Fernandez Bedoya, C.; Fernandez Ramos, J. P.; Flix, J.; Fouz, M. C.; Garcia-Abia, P.; Gonzalez Lopez, O.; Goy Lopez, S.; Hernandez, J. M.; Josa, M. I.; Navarro De Martino, E.; Perez-Calero Yzquierdo, A.; Puerta Pelayo, J.; Quintario Olmeda, A.; Redondo, I.; Romero, L.; Soares, M. S.] CIEMAT, Madrid, Spain. [Albajar, C.; de Troconiz, J. F.; Missiroli, M.; Moran, D.] Univ Autonoma Madrid, Madrid, Spain. [Brun, H.; Cuevas, J.; Fernandez Menendez, J.; Folgueras, S.; Gonzalez Caballero, I.] Univ Oviedo, Oviedo, Spain. [Brochero Cifuentes, J. A.; Cabrillo, I. J.; Calderon, A.; Duarte Campderros, J.; Fernandez, M.; Gomez, G.; Graziano, A.; Lopez Virto, A.; Marco, J.; Marco, R.; Martinez Riven, C.; Matorras, F.; Munoz Sanchez, F. J.; Piedra Gomez, J.; Rodrigo, T.; Rodriguez-Marrero, A. Y.; Ruiz-Jimeno, A.; Scodellaro, L.; Vila, I.; Vilar Cortabitarte, R.] Univ Cantabria, CSIC, Inst Fis Cantabria IFCA, E-39005 Santander, Spain. [Abbaneo, D.; Auffray, E.; Auzinger, G.; Bachtis, M.; Baillon, P.; Ball, A. H.; Barney, D.; Benaglia, A.; Bendavid, J.; Benhabib, L.; Benitez, J. F.; Bianchi, G.; Bloch, P.; Bocci, A.; Bonato, A.; Bondu, O.; Botta, C.; Breuker, H.; Camporesi, T.; Cerminara, G.; Colafranceschi, S.; D'Alfonso, M.; d'Enterria, D.; Dabrowski, A.; David, A.; De Guio, F.; De Roeck, A.; De Visscher, S.; Di Marco, E.; Dobson, M.; Dordevic, M.; Dorney, B.; Dupont, N.; Elliott-Peisert, A.; Eugster, J.; Franzoni, G.; Funk, W.; Gigi, D.; Gill, K.; Giordano, D.; Girone, M.; Glege, F.; Guida, R.; Gundacker, S.; Guthoff, M.; Hammer, J.; Hansen, M.; Harris, P.; Hegeman, J.; Innocente, V.; Janot, P.; Kousouris, K.; Krajczar, K.; Lecoq, P.; Lourenco, C.; Magini, N.; Malgeri, L.; Mannelli, M.; Marrouche, J.; Masetti, L.; Meijers, F.; Mersi, S.; Meschi, E.; Moortgat, F.; Morovic, S.; Mulders, M.; Orfanelli, S.; Orsini, L.; Pape, L.; Perez, E.; Petrilli, A.; Petrucciani, G.; Pfeiffer, A.; Pimilae, M.; Piparo, D.; Plagge, M.; Racz, A.; Rolandi, G.; Rovere, M.; Sakulin, H.; Schaefer, C.; Schwick, C.; Sharma, A.; Siegrist, P.; Silva, P.; Simon, M.; Sphicas, P.; Spiga, D.; Steggemann, J.; Stieger, B.; Stoye, M.; Takahashi, Y.; Treille, D.; Tsirou, A.; Veres, G. I.; Wardle, N.; Woehri, H. K.; Wollny, H.; Zeuner, W. D.] CERN, European Org Nucl Res, CH-1211 Geneva, Switzerland. [Bertl, W.; Deiters, K.; Erdmann, W.; Horisberger, R.; Ingram, Q.; Kaestli, H. C.; Kotlinski, D.; Langenegger, U.; Renker, D.; Rohe, T.] Paul Scherrer Inst, Villigen, Switzerland. [Bachmair, F.; Baeni, L.; Bianchini, L.; Buchmann, M. A.; Casal, B.; Chanon, N.; Dissertori, G.; Dittmar, M.; Donega, M.; Duenser, M.; Eller, P.; Grab, C.; Hits, D.; Hoss, J.; Kasieczka, G.; Lustermann, W.; Mangano, B.; Marini, A. C.; Marionneau, M.; del Arbol, P. Martinez Ruiz; Masciovecchio, M.; Meister, D.; Mohr, N.; Musella, P.; Naegeli, C.; Nessi-Tedaldi, F.; Pandolfi, F.; Pauss, F.; Perrozzi, L.; Peruzzi, M.; Quittnat, M.; Rebane, L.; Rossini, M.; Starodumov, A.; Takahashi, M.; Theofilatos, K.; Wallny, R.; Weber, H. A.] ETH, Inst Particle Phys, Zurich, Switzerland. [Amsler, C.; Canelli, M. F.; Chiochia, V.; De Cosa, A.; Hinzmann, A.; Hreus, T.; Kilminster, B.; Lange, C.; Ngadiuba, J.; Pinna, D.; Robmann, P.; Ronga, F. J.; Taroni, S.; Yang, Y.] Univ Zurich, Zurich, Switzerland. [Cardaci, M.; Chen, K. H.; Ferro, C.; Kuo, C. M.; Lin, W.; Lu, Y. J.; Volpe, R.; Yu, S. S.; Bartek, R.] Natl Cent Univ, Chungli 32054, Taiwan. [Chang, P.; Chang, Y. H.; Chao, Y.; Chen, K. F.; Chen, P. H.; Dietz, C.; Grundler, U.; Hou, W-S.; Liu, Y. F.; Lu, R-S.; Moya, M. Minano; Petrakou, E.; Tsai, J. F.; Tzeng, Y. M.] NTU, Taipei, Taiwan. [Asavapibhop, B.; Singh, G.; Srimanobhas, N.; Suwonjandee, N.] Chulalongkorn Univ, Fac Sci, Dept Phys, Bangkok, Thailand. [Adiguzel, A.; Bakirci, M. N.; Cerci, S.; Dozen, C.; Dumanoglu, I.; Eskut, E.; Girgis, S.; Gokbulut, G.; Guler, Y.; Gurpinar, E.; Hos, I.; Kangal, E. E.; Topaksu, A. Kayis; Onengut, G.; Ozdemir, K.; Ozturk, S.; Polatoz, A.; Cerci, D. Sunar; Tali, B.; Topakli, H.; Vergili, M.; Zorbilmez, C.] Cukurova Univ, Adana, Turkey. [Akin, I. V.; Bilin, B.; Bilmis, S.; Gamsizkan, H.; Isildak, B.; Karapinar, G.; Ocalan, K.; Sekmen, S.; Surat, U. E.; Yalvac, M.; Zeyrek, M.] Middle E Tech Univ, Dept Phys, TR-06531 Ankara, Turkey. [Albayrak, E. A.; Guelmez, E.; Kaya, M.; Kaya, O.; Yetkin, T.] Bogazici Univ, Istanbul, Turkey. [Cankocak, K.; Vardarli, F. I.] Istanbul Tech Univ, TR-80626 Istanbul, Turkey. [Levchuk, L.; Sorokin, P.] Kharkov Inst Phys & Technol, Natl Sci Ctr, Kharkov, Ukraine. [Brooke, J. J.; Clement, E.; Cussans, D.; Flacher, H.; Goldstein, J.; Grimes, M.; Heath, G. P.; Heath, H. F.; Jacob, J.; Kreczko, L.; Lucas, C.; Meng, Z.; Newbold, D. M.; Paramesvaran, S.; Poll, A.; Sakuma, T.; El Nasr-Storey, S. Seif; Senkin, S.; Smith, V. J.] Univ Bristol, Bristol, Avon, England. [Bell, K. W.; Belyaev, A.; Brew, C.; Brown, R. M.; Cockerill, D. J. A.; Coughlan, J. A.; Harder, K.; Harper, S.; Olaiya, E.; Petyt, D.; Shepherd-Themistocleous, C. H.; Thea, A.; Tomalin, I. R.; Williamz, T.; Womersley, W. J.; Worm, S. D.] Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England. [Baber, M.; Bainbridge, R.; Buchmuller, O.; Burton, D.; Colling, D.; Cripps, N.; Dauncey, P.; Davies, G.; Della Negra, M.; Dunne, R.; Elwood, A.; Ferguson, W.; Fulcher, J.; Futyan, D.; Hall, G.; Iles, G.; Jarvis, M.; Karapostoli, G.; Kenzie, M.; Lane, R.; Lucas, R.; Lyons, L.; Magnan, A-M.; Malik, S.; Mathias, B.; Nash, J.; Nikitenko, A.; Pela, J.; Pesaresi, M.; Petridis, K.; Raymond, D. M.; Rogerson, S.; Rose, A.; Seez, C.; Sharp, P.; Tapper, A. A.; Acosta, M. Vazquez; Virdee, T.; Zenz, S. C.] Univ London Imperial Coll Sci Technol & Med, London, England. [Cole, J. E.; Hobson, P. R.; Khan, A.; Kyberd, P.; Leggat, D.; Leslie, D.; Reid, I. D.; Symonds, P.; Teodorescu, L.; Turner, M.] Brunel Univ, Uxbridge UB8 3PH, Middx, England. [Dittmann, J.; Hatakeyama, K.; Kasmi, A.; Liu, H.; Pastika, N.; Scarborough, T.; Wu, Z.] Baylor Univ, Waco, TX 76798 USA. [Charaf, O.; Cooper, S. I.; Henderson, C.; Rumerio, P.] Univ Alabama, Tuscaloosa, AL USA. [Avetisyan, A.; Bose, T.; Fantasia, C.; Lawson, P.; Richardson, C.; Rohlf, J.; St John, J.; Sulak, L.] Boston Univ, Boston, MA 02215 USA. [Alimena, J.; Berry, E.; Bhattacharya, S.; Christopher, G.; Cutts, D.; Demiragli, Z.; Dhingra, N.; Ferapontov, A.; Garabedian, A.; Heintz, U.; Laird, E.; Landsberg, G.; Mao, Z.; Narain, M.; Sagir, S.; Sinthuprasith, T.; Speer, T.; Swanson, J.; Breedon, R.; Breto, G.] Brown Univ, Providence, RI 02912 USA. [Sanchez, M. Calderon De La Barca; Chauhan, S.; Chertok, M.; Conway, J.; Conway, R.; Cox, P. T.; Erbacher, R.; Gardner, M.; Ko, W.; Lander, R.; Mulhearn, M.; Pellett, D.; Pilot, J.; Ricci-Tam, F.; Shalhout, S.; Smith, J.; Squires, M.; Stolp, D.; Tripathi, M.; Wilbur, S.; Yohay, R.; Cousins, R.] Univ Calif Davis, Davis, CA 95616 USA. [Everaerts, P.; Farrell, C.; Hauser, J.; Ignatenko, M.; Rakness, G.; Takasugi, E.; Valuev, V.; Weber, M.] Univ Calif Los Angeles, Los Angeles, CA USA. [Burt, K.; Clare, R.; Ellison, J.; Gary, J. W.; Hanson, G.; Heilman, J.; Paneva, M. Ivova; Jandir, P.; Kennedy, E.; Lacroix, F.; Long, O. R.; Luthra, A.; Malberti, M.; Negrete, M. Olmedo; Shrinivas, A.; Sumowidagdo, S.; Wimpenny, S.] Univ Calif Riverside, Riverside, CA 92521 USA. [Branson, J. G.; Cerati, G. B.; Cittolin, S.; D'Agnolo, R. T.; Holzner, A.; Kelley, R.; Klein, D.; Letts, J.; Macneill, I.; Olivito, D.; Padhi, S.; Palmer, C.; Pieri, M.; Sani, M.; Sharma, V.; Simon, S.; Tadel, M.; Tu, Y.; Vartak, A.; Welke, C.; Wuerthwein, F.; Yagil, A.; Della Porta, G. Zevi] Univ Calif San Diego, La Jolla, CA 92093 USA. [Barge, D.; Bradmiller-Feld, J.; Campagnari, C.; Danielson, T.; Dishaw, A.; Dutta, V.; Flowers, K.; Sevilla, M. Franco; Geffert, R.; George, C.; Golf, F.; Gouskos, L.; Incandela, J.; Justus, C.; Mccoll, N.; Mullin, S. D.; Richman, J.; Stuart, D.; To, W.; West, C.; Yoo, J.] Univ Calif Santa Barbara, Santa Barbara, CA 93106 USA. [Apresyan, A.; Bornheim, A.; Bunn, J.; Chen, Y.; Duarte, J.; Mott, A.; Newman, H. B.; Pena, C.; Pierini, M.; Spiropulu, M.; Vlimant, J. R.; Wilkinson, R.; Xie, S.; Zhu, R. Y.] CALTECH, Pasadena, CA 91125 USA. [Azzolini, V.; Calamba, A.; Carlson, B.; Ferguson, T.; Iiyama, Y.; Paulini, M.; Russ, J.; Vogel, H.; Vorobiev, I.] Carnegie Mellon Univ, Pittsburgh, PA 15213 USA. [Cumalat, J. P.; Ford, W. T.; Gaz, A.; Krohn, M.; Lopez, E. Luiggi; Nauenberg, U.; Smith, J. G.; Stenson, K.; Wagner, S. R.] Univ Colorado, Boulder, CO 80309 USA. [Alexander, J.; Chatterjee, A.; Chaves, J.; Chu, J.; Dittmer, S.; Eggert, N.; Mirman, N.; Kaufman, G. Nicolas; Patterson, J. R.; Ryd, A.; Salvati, E.; Skinnari, L.; Sun, W.; Teo, W. D.; Thom, J.; Thompson, J.; Tucker, J.; Weng, Y.; Winstrom, L.; Wittich, P.] Cornell Univ, Ithaca, NY USA. [Winn, D.] Fairfield Univ, Fairfield, CT 06430 USA. [Abdullin, S.; Albrow, M.; Anderson, J.; Apollinari, G.; Bauerdick, L. A. T.; Beretvas, A.; Berryhill, J.; Bhat, P. C.; Bolla, G.; Burkett, K.; Butler, J. N.; Cheung, H. W. K.; Chlebana, F.; Cihangir, S.; Elvira, V. D.; Fisk, I.; Freeman, J.; Gottschalk, E.; Gray, L.; Green, D.; Gruenendahl, S.; Gutsche, O.; Hanlon, J.; Hare, D.; Hirschauer, J.; Hooberman, B.; Jindariani, S.; Johnson, M.; Joshi, U.; Klima, B.; Kreis, B.; Kwan, S.; Linacre, J.; Lincoln, D.; Lipton, R.; Liu, T.; De Sa, R. Lopes; Lykken, J.; Maeshima, K.; Marraffino, J. M.; Outschoom, V. I. Martinez; Maruyama, S.; Mason, D.; McBride, P.; Merke, P.; Mishra, K.; Mrenna, S.; Nahn, S.; Newman-Holmes, C.; O'Dell, V.; Prokofyev, O.; Sexton-Kennedy, E.; Soha, A.; Spalding, W. J.; Spiegel, L.; Taylor, L. L.; Tkacyk, S.; Tran, N. V.; Uplegger, L.; Vaandering, E. W.; Vidal, R.; Whitbeck, A.; Whitmore, J.; Yang, F.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Costa, D.; Avery, P.; Bortignon, P.; Bourilkov, D.; Carver, M.; Curry, D.; Das, S.; De Gruttola, M.; Di Giovanni, G. P.; Field, R. D.; Fisher, M.; Furic, I. K.; Hugon, J.; Konigsberg, J.; Korytov, A.; Kypreos, T.; Low, J. F.; Matchev, K.; Mei, H.; Milenovic, P.; Mitselmakher, G.; Muniz, L.; Rinkevicius, A.; Shchutska, L.; Snowball, M.; Sperka, D.; Yelton, J.; Zakaria, M.] Univ Florida, Gainesville, FL USA. [Hewamanage, S.; Linn, S.; Markowitz, P.; Martinez, G.; Rodriguez, J. L.] Florida Int Univ, Miami, FL 33199 USA. [Adams, J. R.; Adams, T.; Askew, A.; Bochenek, J.; Diamond, B.; Haas, J.; Hagopian, S.; Hagopian, V.; Johnson, K. F.; Prosper, H.; Veeraraghavan, V.; Weinberg, M.] Florida State Univ, Tallahassee, FL 32306 USA. [Baarmand, M. M.; Hohlmann, M.; Kalakhety, H.; Yumiceva, F.; Adams, M. R.] Florida Inst Technol, Melbourne, FL 32901 USA. [Apanasevich, L.; Berry, D.; Belts, R. R.; Bucinskaite, I.; Cavanaugh, R.; Evdokimov, O.; Gauthier, L.; Gerber, C. E.; Hofman, D. J.; Kurt, P.; O'Brien, C.; Gonzalez, I. D. Sandoval; Silkworth, C.; Turner, P.; Varelas, N.] UIC, Chicago, IL USA. [Bilki, B.; Clarida, W.; Dilsiz, K.; Haytmyradov, M.; Khristenko, V.; Merlo, J-P.; Mermerkaya, H.; Mestvirishvili, A.; Moeller, A.; Nachtman, J.; Ogul, H.; Onel, Y.; Ozok, F.; Penzo, A.; Rahmat, R.; Sen, S.; Tan, P.; Tiras, E.; Wetzel, J.; Yi, K.] Univ Iowa, Iowa City, IA USA. [Anderson, I.; Barnett, B. A.; Blumenfeld, B.; Bolognesi, S.; Fehling, D.; Gritsan, A. V.; Maksimovic, P.; Martin, C.; Swartz, M.; Xiao, M.] Johns Hopkins Univ, Baltimore, MD USA. [Baringer, P.; Bean, A.; Benelli, G.; Bruner, C.; Gray, J.; Kenny, R. R., III; Majumder, D.; Malek, M.; Murray, M.; Noonan, D.; Sanders, S.; Sekaric, J.; Stringer, R.; Wang, Q.; Wood, J. S.] Univ Kansas, Lawrence, KS 66045 USA. [Chakaberia, I.; Ivanov, A.; Kaadze, K.; Khali, S.; Makouski, M.; Maravin, Y.; Saini, L. K.; Skhirtladze, N.; Svintradze, I.] Kansas State Univ, Manhattan, KS 66506 USA. [Gronberg, J.; Lange, D.; Rebassoo, F.; Wright, D.] Lawrence Livermore Natl Lab, Livermore, CA USA. [Baden, A.; Belloni, A.; Calvert, B.; Eno, S. C.; Gomez, J. J. A.; Hadley, N. J.; Jabeen, S.; Kellogg, R. G.; Kolberg, T.; Lu, Y.; Mignerey, A. C.; Pedro, K.; Skuja, A.; Tonjes, M. B.; Tonwar, S. C.] Univ Maryland, College Pk, MD 20742 USA. [Apyan, A.; Barbieri, R.; Bierwagen, K.; Busza, W.; Cali, I. A.; Di Matteo, L.; Ceballos, G. Gomez; Goncharov, M.; Gulhan, D.; Klute, M.; Lai, Y. S.; Lee, Y-J.; Levin, A.; Luckey, P. D.; Paus, C.; Ralph, D.; Roland, C.; Roland, G.; Stephans, G. S. F.; Sumorok, K.; Velicanu, D.; Veverka, J.; Wyslouch, B.; Yang, M.; Zanetti, M.; Zhukova, V.] MIT, Cambridge, MA 02139 USA. [Dahmes, B.; Gude, A.; Kao, S. C.; Klapoetke, K.; Kubota, Y.; Mans, J.; Nourbakhsh, S.; Rusack, R.; Singovsky, A.; Tambe, N.; Turkewitz, J.] Univ Minnesota, Minneapolis, MN USA. [Acosta, J. G.; Oliveros, S.] Univ Mississippi, Oxford, MS USA. [Avdeeva, E.; Bloom, K.; Bose, S.; Claes, D. R.; Dominguez, A.; Suarez, R. Gonzalez; Keller, J.; Knowlton, D.; Kravehenko, I.; Lazo-Flores, J.; Meier, F.; Ratnikov, F.; Snow, G. R.; Zvada, M.] Univ Nebraska, Lincoln, NE USA. [Dolen, J.; Godshalk, A.; Iashvili, I.; Kharchilava, A.; Kumar, A.; Rappoccio, S.] SUNY Buffalo, Buffalo, NY 14260 USA. [Alverson, G.; Barberis, E.; Baumgarte, D.; Chasco, M.; Massironi, A.; Morse, D. M.; Nash, D.; Orimoto, T.; Trocino, D.; Wang, R-J.; Wood, D.; Zhang, J.] Northeastern Univ, Boston, MA 02115 USA. [Hahn, K. A.; Kubik, A.; Mucia, N.; Odell, N.; Pollack, B.; Pozdnyakov, A.; Schmitt, M.; Stoynev, S.; Sung, K.; Velasco, M.; Won, S.] Northwestern Univ, Evanston, IL USA. [Brinkerhoff, A.; Chan, K. M.; Drozdetskiy, A.; Hildreth, M.; Jessop, C.; Karmgard, D. J.; Kellams, N.; Lannon, K.; Lynch, S.; Marinelli, N.; Musienko, Y.; Pearson, T.; Planer, M.; Ruchti, R.; Smith, G.; Valls, N.; Wayne, M.; Wolf, M.; Woodard, A.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Antonelli, L.; Brinson, J.; Bylsma, B.; Durkin, L. S.; Flowers, S.; Hart, A.; Hill, C.; Hughes, R.; Kotov, K.; Ling, T. Y.; Luo, W.; Puigh, D.; Rodenburg, M.; Winer, B. L.; Wolfe, H.; Wulsin, H. W.] Ohio State Univ, Columbus, OH 43210 USA. [Driga, O.; Elmer, P.; Hardenbrook, J.; Hebda, P.; Koay, S. A.; Lujan, P.; Marlow, D.; Medvedeva, T.; Mooney, M.; Olsen, J.; Piroue, P.; Quan, X.; Saka, H.; Stickland, D.; Tully, C.; Werner, J. S.; Zuranski, A.] Princeton Univ, Princeton, NJ 08544 USA. [Brownson, E.; Malik, S.; Mendez, H.; Vargas, J. E. Ramirez] Univ Puerto Rico, Mayaguez, PR USA. [Barnes, V. E.; Benedetti, D.; Bortoletto, D.; Gutay, L.; Hu, Z.; Jha, M. K.; Jones, M.; Jung, K.; Kress, M.; Leonardo, N.; Miller, D. H.; Neumeister, N.; Primavera, F.; Radburn-Smith, B. C.; Shi, X.; Shipsey, I.; Silvers, D.; Svyatkovskiy, A.; Wang, F.; Xie, W.; Xu, L.; Zablocki, J.] Purdue Univ, W Lafayette, IN 47907 USA. [Parashar, N.; Stupak, J.] Purdue Univ Calumet, Hammond, LA USA. [Adair, A.; Akgun, B.; Ecklund, K. M.; Geurts, F. J. M.; Li, W.; Michlin, B.; Padley, B. P.; Redjimi, R.; Roberts, J.; Zabel, J.] Rice Univ, Houston, TX USA. [Betchart, B.; Bodek, A.; De Barbaro, P.; Demina, R.; Eshaq, Y.; Ferbel, T.; Galanti, M.; Garcia-Bellido, A.; Goldenzweig, P.; Han, J.; Harel, A.; Hindrichs, O.; Khukhunaishvili, A.; Korjenevski, S.; Petrillo, G.; Verzetti, M.; Vishnevskiy, D.] Univ Rochester, Rochester, NY 14627 USA. [Ciesielski, R.; Demortier, L.; Goulianos, K.; Mesropian, C.] Rockefeller Univ, New York, NY 10021 USA. [Arora, S.; Barker, A.; Chou, J. P.; Contreras-Campana, C.; Contreras-Campana, E.; Duggan, D.; Ferencek, D.; Gershtein, Y.; Gray, R.; Halkiadakis, E.; Hidas, D.; Kaplan, S.; Lath, A.; Panwalkar, S.; Park, M.; Salur, S.; Schnetzer, S.; Sheffield, D.; Somalwar, S.; Stone, R.; Thomas, S.; Thomassen, P.; Walker, M.] Rutgers State Univ, Piscataway, NJ USA. [Rose, K.; Spanier, S.; York, A.] Univ Tennessee, Knoxville, TN USA. [Bouhali, O.; Hernandez, A. Castaneda; Dalchenko, M.; De Mattia, M.; Dildick, S.; Eusebi, R.; Flanagan, W.; Gilmore, J.; Kamon, T.; Khotilovich, V.; Krutelyov, V.; Montalvo, R.; Osipenkov, I.; Pakhotin, Y.; Patel, R.; Perloff, A.; Roe, J.; Rose, A.; Safonov, A.; Suarez, I.; Tatarinov, A.; Ulmer, K. A.] Texas A&M Univ, College Stn, TX USA. [Akchurin, N.; Cowden, C.; Damgov, J.; Dragoiu, C.; Dudero, P. R.; Faulkner, J.; Kovitanggoon, K.; Kunori, S.; Lee, S. W.; Libeiro, T.; Volobouev, I.] Texas Tech Univ, Lubbock, TX 79409 USA. [Appelt, E.; Delannoy, A. G.; Greene, S.; Gurrola, A.; Johns, W.; Maguire, C.; Mao, Y.; Melo, A.; Sharma, M.; Sheldon, P.; Snook, B.; Tuo, S.; Velkovska, J.] Vanderbilt Univ, Nashville, TN 37235 USA. [Arenton, M. W.; Boutle, S.; Cox, B.; Francis, B.; Goodell, J.; Hirosky, R.; Ledovskoy, A.; Li, H.; Lin, C.; Neu, C.; Wolfe, E.; Wood, J.] Univ Virginia, Charlottesville, VA USA. [Clarke, C.; Harr, R.; Karchin, P. E.; Don, C. Kottachchi Kankanamge; Lamichhane, P.; Sturdy, J.] Wayne State Univ, Detroit, MI USA. [Belknap, D. A.; Carlsmith, D.; Cepeda, M.; Dasu, S.; Dodd, L.; Duric, S.; Friis, E.; Hall-Wilton, R.; Herndon, M.; Herve, A.; Klabbers, P.; Lanaro, A.; Lazaridis, C.; Levine, A.; Loveless, R.; Mohapatra, A.; Ojalvo, I.; Perry, T.; Pierro, G. A.; Polese, G.; Ross, I.; Sarangi, T.; Savin, A.; Smith, W. H.; Taylor, D.; Vuosalo, C.; Woods, N.] Univ Wisconsin, Madison, WI 53706 USA. [Fruehwirth, R.; Jeitler, M.; Krammer, M.; Wulz, C-E.] Vienna Univ Technol, A-1040 Vienna, Austria. [Rabady, D.; Pernie, L.; Genchey, V.; Boudou, G.; Contardo, D.; Lingemann, J.; Hartmann, F.; Kornnriayer, A.; Mohanty, A. K.; Radogna, R.; Silvestris, L.; Giordano, F.; Gennai, S.; Gerosa, R.; Ghezzi, A.; Lucchini, M. T.; Marzocchi, B.; Di Guida, S.; Meola, S.; Paolucci, P.; Ciangottini, D.; Fano, L.; Spiezia, A.; Donato, S.; Palla, F.; Micheli, F.; Traczyk, P.; Casasso, S.; Finco, L.; Candelise, V.; Stickland, D.] CERN, European Org Nucl Res, CH-1211 Geneva, Switzerland. [Beluffi, C.] Univ Haute Alsace Mulhouse, Inst Pluridisciplinaire Hubert Curien, Univ Strasbourg, CNRS,IN2P3, Strasbourg, France. [Giammanco, A.] NICPB, Tallinn, Estonia. [Popov, A.; Zhukov, V.; Katkov, I.] Moscow MV Lomonosov State Univ, Skobeltsyn Inst Nucl Phys, Moscow, Russia. [Chinellato, J.; Tonelli Manganote, E. J.] Univ Estadual Campinas, Campinas, SP, Brazil. [Plestina, R.; Bernet, C.] Ecole Polytech, CNRS, Lab Leprince Ringuet, IN2P3, F-91128 Palaiseau, France. [Zhang, F.] Univ Libre Bruxelles, Brussels, Belgium. [Finger, M., Jr.; Tsamalaidze, Z.] Joint Inst Nucl Res, Dubna, Russia. [Assran, Y.] Suez Univ, Suez, Egypt. [Elgammal, S.] British Univ Egypt, Cairo, Egypt. [Kamel, A. Ellithi] Cairo Univ, Cairo, Egypt. [Mahmoud, M. A.] Fayoum Univ, Al Fayyum, Egypt. [Agram, J-L.; Conte, E.; Fontaine, J-C.] Univ Haute Alsace, Mulhouse, France. [Hempel, M.; Karacheban, O.; Lohmann, W.; Marfin, I.] Brandenburg Tech Univ Cottbus, Cottbus, Germany. [Horvath, D.] Inst Nucl Res ATOMKI, Debrecen, Hungary. [Vesztergombi, G.; Veres, G. I.] Eotvos Lorand Univ, Budapest, Hungary. [Karancsi, J.] Univ Debrecen, Debrecen, Hungary. [Bhowmik, S.; Maity, M.] Visva Bharati Univ, Santini Ketan, W Bengal, India. [Gurtu, A.] King Abdulaziz Univ, Jeddah 21413, Saudi Arabia. [Wickramage, N.] Univ Ruhuna, Matara, Sri Lanka. [Etesami, S. M.] Isfahan Univ Technol, Esfahan, Iran. [Fahim, A.] Univ Tehran, Dept Engn Sci, Tehran, Iran. [Safarzadeh, B.] Islamic Azad Univ, Sci & Res Branch, Plasma Phys Res Ctr, Tehran, Iran. [Gulmini, M.] Ist Nazl Fis Nucl, Lab Nazl Legnaro, I-35020 Legnaro, Italy. [Androsov, K.; Cioccia, M. A.; Grippo, M. T.; Squillacioti, P.] Univ Siena, I-53100 Siena, Italy. [Moon, C. S.] IN2P3, CNRS, Paris, France. [Savoy-Navarro, A.] Purdue Univ, W Lafayette, IN 47907 USA. [Ali, M. A. B. Md] Int Islamic Univ Malaysia, Kuala Lumpur, Malaysia. [Matveev, V.] Russian Acad Sci, Inst Nucl Res, Moscow 117312, Russia. St Petersburg State Polytech Univ, St Petersburg, VA, Russia. [Azarkin, M.; Dremin, I.; Leonidov, A.] Natl Res Nucl Univ Moscow Engn Phys Inst MEPhI, Moscow, Russia. [Adzic, P.] Univ Belgrade, Fac Phys, Belgrade 11001, Serbia. [Colafranceschi, S.] Univ Rome, Fac Ingn, Rome, Italy. [Rolandi, G.] Scuola Normale Super Pisa, Pisa, Italy. [Rolandi, G.] Sezione Ist Nazl Fis Nucl, Pisa, Italy. [Sphicas, P.] Univ Athens, Athens, Greece. [Naegeli, C.] Paul Scherrer Inst, Villigen, Switzerland. [Starodumov, A.; Nikitenko, A.] Inst Theoret & Expt Phys, Moscow 117259, Russia. [Amsler, C.] Albert Einstein Ctr Fundamental Phys, Bern, Switzerland. [Bakirci, M. N.; Ozturk, S.; Topakli, H.] Gaziosmanpasa Univ, Tokat, Turkey. [Cerci, S.; Cerci, D. Sunar; Tali, B.] Adiyam Univ, Adiyaman, Turkey. [Kangal, E. E.] Mersin Univ, Mersin, Turkey. [Onengut, G.] Cag Univ, Mersin, Turkey. [Ozdemir, K.] Piri Reis Univ, Istanbul, Turkey. [Gamsizkan, H.] Anadolu Univ, Eskisehir, Turkey. [Isildak, B.] Ozyegin Univ, Istanbul, Turkey. [Karapinar, G.] Izmir Inst Technol, Izmir, Turkey. [Ocalan, K.] Necmettin Erbakan Univ, Konya, Turkey. [Albayrak, E. A.; Ozok, F.] Mimar Sinan Univ, Istanbul, Istanbul, Turkey. [Kaya, M.] Marmara Univ, Istanbul, Turkey. [Kaya, O.] Kafkas Univ, Kars, Turkey. [Yetkin, T.] Yildiz Tekn Univ, Istanbul, Turkey. [Newbold, D. M.; Lucas, R.] Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England. [Belyaev, A.] Univ Southampton, Sch Phys & Astron, Southampton, Hants, England. [Milenovic, P.] Univ Belgrade, Fac Phys, Belgrade 11001, Serbia. [Milenovic, P.] Vinca Inst Nucl Sci, Belgrade, Serbia. [Bilki, B.] Argonne Natl Lab, Argonne, IL 60439 USA. [Mermerkaya, H.] Erzincan Univ, Erzincan, Turkey. [Bouhali, O.] Texas A&M Univ Qatar, Doha, Qatar. [Kamon, T.] Kyungpook Natl Univ, Taegu, South Korea. RP Khachatryan, V (reprint author), Yerevan Phys Inst, Yerevan 375036, Armenia. RI Tomei, Thiago/E-7091-2012; Kirakosyan, Martin/N-2701-2015; Tinoco Mendes, Andre David/D-4314-2011; Seixas, Joao/F-5441-2013; Verwilligen, Piet/M-2968-2014; Vilela Pereira, Antonio/L-4142-2016; Sznajder, Andre/L-1621-2016; Da Silveira, Gustavo Gil/N-7279-2014; Mora Herrera, Maria Clemencia/L-3893-2016; Mundim, Luiz/A-1291-2012; Haj Ahmad, Wael/E-6738-2016; Malakhov, Alexander/D-5702-2016; Calvo Alamillo, Enrique/L-1203-2014; Hernandez Calama, Jose Maria/H-9127-2015; Cerrada, Marcos/J-6934-2014; Andreev, Vladimir/M-8665-2015; Perez-Calero Yzquierdo, Antonio/F-2235-2013; Novaes, Sergio/D-3532-2012; Della Ricca, Giuseppe/B-6826-2013; Montanari, Alessandro/J-2420-2012; Azarkin, Maxim/N-2578-2015; Chinellato, Jose Augusto/I-7972-2012; Hobson, Peter/C-8919-2016; Lokhtin, Igor/D-7004-2012; Menasce, Dario/A-2168-2016; Paganoni, Marco/A-4235-2016; VARDARLI, Fuat Ilkehan/B-6360-2013; Manganote, Edmilson/K-8251-2013; Ferguson, Thomas/O-3444-2014; de Jesus Damiao, Dilson/G-6218-2012; Matorras, Francisco/I-4983-2015; Dogra, Sunil /B-5330-2013; TUVE', Cristina/P-3933-2015; Leonidov, Andrey/M-4440-2013; Inst. of Physics, Gleb Wataghin/A-9780-2017; Dremin, Igor/K-8053-2015; Konecki, Marcin/G-4164-2015; Vogel, Helmut/N-8882-2014; Benussi, Luigi/O-9684-2014; Xie, Si/O-6830-2016; Leonardo, Nuno/M-6940-2016; Goh, Junghwan/Q-3720-2016; Flix, Josep/G-5414-2012; Ruiz, Alberto/E-4473-2011; Petrushanko, Sergey/D-6880-2012; Govoni, Pietro/K-9619-2016; Tuominen, Eija/A-5288-2017; Yazgan, Efe/C-4521-2014; Paulini, Manfred/N-7794-2014 OI Tomei, Thiago/0000-0002-1809-5226; Tinoco Mendes, Andre David/0000-0001-5854-7699; Seixas, Joao/0000-0002-7531-0842; Vilela Pereira, Antonio/0000-0003-3177-4626; Sznajder, Andre/0000-0001-6998-1108; Da Silveira, Gustavo Gil/0000-0003-3514-7056; Mora Herrera, Maria Clemencia/0000-0003-3915-3170; Mundim, Luiz/0000-0001-9964-7805; Haj Ahmad, Wael/0000-0003-1491-0446; Calvo Alamillo, Enrique/0000-0002-1100-2963; Hernandez Calama, Jose Maria/0000-0001-6436-7547; Cerrada, Marcos/0000-0003-0112-1691; Perez-Calero Yzquierdo, Antonio/0000-0003-3036-7965; Novaes, Sergio/0000-0003-0471-8549; Della Ricca, Giuseppe/0000-0003-2831-6982; Montanari, Alessandro/0000-0003-2748-6373; Chinellato, Jose Augusto/0000-0002-3240-6270; Hobson, Peter/0000-0002-5645-5253; Menasce, Dario/0000-0002-9918-1686; Paganoni, Marco/0000-0003-2461-275X; Ferguson, Thomas/0000-0001-5822-3731; de Jesus Damiao, Dilson/0000-0002-3769-1680; Matorras, Francisco/0000-0003-4295-5668; TUVE', Cristina/0000-0003-0739-3153; Attia Mahmoud, Mohammed/0000-0001-8692-5458; Androsov, Konstantin/0000-0003-2694-6542; Gallinaro, Michele/0000-0003-1261-2277; Konecki, Marcin/0000-0001-9482-4841; Vogel, Helmut/0000-0002-6109-3023; Benussi, Luigi/0000-0002-2363-8889; Xie, Si/0000-0003-2509-5731; Leonardo, Nuno/0000-0002-9746-4594; Goh, Junghwan/0000-0002-1129-2083; Flix, Josep/0000-0003-2688-8047; Ruiz, Alberto/0000-0002-3639-0368; Govoni, Pietro/0000-0002-0227-1301; Tuominen, Eija/0000-0002-7073-7767; Yazgan, Efe/0000-0001-5732-7950; Paulini, Manfred/0000-0002-6714-5787 FU BMWFW (Austria); FWF (Austria); FNRS (Belgium); FWO (Belgium); CNPq (Brazil); CAPES (Brazil); FAPERJ (Brazil); FAPESP (Brazil); MES (Bulgaria); CERN (China); CAS (China); MoST (China); NSFC (China); COLCIENCIAS (Colombia); MSES (Croatia); CSF (Croatia); RPF (Cyprus); MoER (Estonia); ERC IUT (Estonia); ERDF (Estonia); Academy of Finland (Finland); MEC (Finland); HIP (Finland); CEA (France); CNRS/IN2P3 (France); BMBF (Germany); DFG (Germany); HGF (Germany); GSRT (Greece); OTKA (Hungary); NIH (Hungary); DAE (India); DST (India); IPM (Iran); SFI (Ireland); INFN (Italy); MSIP (Republic of Korea); NRF (Republic of Korea); LAS (Lithuania); MOE (Malaysia); UM (Malaysia); CINVESTAV (Mexico); CONACYT (Mexico); SEP (Mexico); UASLP-FAI (Mexico); MBIE (New Zealand); PAEC (Pakistan); MSHE (Poland); NSC (Poland); FCT (Portugal); JINR (Dubna); MON (Russia); RosAtom (Russia); RAS (Russia); RFBR (Russia); MESTD (Serbia); SEIDI (Spain); CPAN (Spain); Swiss Funding Agencies (Switzerland); MST (Taipei); ThEPCenter (Thailand); IPST (Thailand); STAR (Thailand); NSTDA (Thailand); TUBITAK (Turkey); TAEK (Turkey); NASU (Ukraine); SFFR (Ukraine); STFC (United Kingdom); DOE (USA); NSF (USA); Marie-Curie program; European Research Council (European Union); EPLANET (European Union); Leventis Foundation; A. P. Sloan Foundation; Alexander von Humboldt Foundation; Belgian Federal Science Policy Office; Fonds pour la Formation a la Recherche dans l'Industrie et dans l'Agriculture (FRIA-Belgium); Agentschap voor Innovatie door Wetenschap en Technologie (IWT-Belgium); Ministry of Education, Youth and Sports (MEYS) of the Czech Republic; Council of Science and Industrial Research, India; HOMING PLUS program of the Foundation for Polish Science; European Union, Regional Development Fund; Compagnia di San Paolo (Torino); Consorzio per la Fisica (Trieste); MIUR (Italy) [20108T4XTM]; Thalis program; Aristeia program; EU-ESF; Greek NSRF; National Priorities Research Program by Qatar National Research Fund; Rachadapisek Sompot Fund for Postdoctoral Fellowship, Chulalongkorn University (Thailand) FX We congratulate our colleagues in the CERN accelerator departments for the excellent performance of the LHC and thank the technical and administrative staffs at CERN and at other CMS institutes for their contributions to the success of the CMS effort. We are very grateful to the TOTEM Collaboration for making their trigger signal available to CMS and for providing the additional tools required to analyze the acquired data. In addition, we gratefully acknowledge the computing centers and personnel of the Worldwide LHC Computing Grid for delivering so effectively the computing infrastructure essential to our analyses. Finally, we acknowledge the enduring support for the construction and operation of the LHC and the CMS detector provided by the following funding agencies: BMWFW and FWF (Austria); FNRS and FWO (Belgium); CNPq, CAPES, FAPERJ, and FAPESP (Brazil); MES (Bulgaria); CERN; CAS, MoST, and NSFC (China); COLCIENCIAS (Colombia); MSES and CSF (Croatia); RPF (Cyprus); MoER, ERC IUT and ERDF (Estonia); Academy of Finland, MEC, and HIP (Finland); CEA and CNRS/IN2P3 (France); BMBF, DFG, and HGF (Germany); GSRT (Greece); OTKA and NIH (Hungary); DAE and DST (India); IPM (Iran); SFI (Ireland); INFN (Italy); MSIP and NRF (Republic of Korea); LAS (Lithuania); MOE and UM (Malaysia); CINVESTAV, CONACYT, SEP, and UASLP-FAI (Mexico); MBIE (New Zealand); PAEC (Pakistan); MSHE and NSC (Poland); FCT (Portugal); JINR (Dubna); MON, RosAtom, RAS, and RFBR (Russia); MESTD (Serbia); SEIDI and CPAN (Spain); Swiss Funding Agencies (Switzerland); MST (Taipei); ThEPCenter, IPST, STAR, and NSTDA (Thailand); TUBITAK and TAEK (Turkey); NASU and SFFR (Ukraine); STFC (United Kingdom); and DOE and NSF (USA). Individuals have received support from the Marie-Curie program and the European Research Council and EPLANET (European Union); the Leventis Foundation; the A. P. Sloan Foundation; the Alexander von Humboldt Foundation; the Belgian Federal Science Policy Office; the Fonds pour la Formation a la Recherche dans l'Industrie et dans l'Agriculture (FRIA-Belgium); the Agentschap voor Innovatie door Wetenschap en Technologie (IWT-Belgium); the Ministry of Education, Youth and Sports (MEYS) of the Czech Republic; the Council of Science and Industrial Research, India; the HOMING PLUS program of the Foundation for Polish Science, cofinanced from the European Union, Regional Development Fund; the Compagnia di San Paolo (Torino); the Consorzio per la Fisica (Trieste); MIUR Project No. 20108T4XTM (Italy); the Thalis and Aristeia programs cofinanced by EU-ESF and the Greek NSRF; the National Priorities Research Program by Qatar National Research Fund; and Rachadapisek Sompot Fund for Postdoctoral Fellowship, Chulalongkorn University (Thailand). NR 39 TC 0 Z9 0 U1 12 U2 49 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 DEC 1 PY 2015 VL 92 IS 11 AR 112001 DI 10.1103/PhysRevD.92.112001 PG 17 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA CX7GH UT WOS:000365869700001 ER PT J AU Zhang, ET He, Y Grob, P Fong, YW Nogales, E Tjian, R AF Zhang, Elisa T. He, Yuan Grob, Patricia Fong, Yick W. Nogales, Eva Tjian, Robert TI Architecture of the human XPC DNA repair and stem cell coactivator complex SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE transcription; stem cells; DNA repair; structure; biochemistry ID NUCLEOTIDE EXCISION-REPAIR; GROUP-C PROTEIN; TRANSCRIPTION FACTOR IIH; CARBOXY-TERMINAL DOMAIN; ELECTRON-MICROSCOPY; DAMAGE RECOGNITION; IN-VIVO; MOLECULAR-MECHANISM; HUMAN CENTRIN-2; BINDING AB The Xeroderma pigmentosum complementation group C (XPC) complex is a versatile factor involved in both nucleotide excision repair and transcriptional coactivation as a critical component of the NANOG, OCT4, and SOX2 pluripotency gene regulatory network. Here we present the structure of the human holo-XPC complex determined by single-particle electron microscopy to reveal a flexible, ear-shaped structure that undergoes localized loss of order upon DNA binding. We also determined the structure of the complete yeast homolog Rad4 holo-complex to find a similar overall architecture to the human complex, consistent with their shared DNA repair functions. Localized differences between these structures reflect an intriguing phylogenetic divergence in transcriptional capabilities that we present here. Having positioned the constituent subunits by tagging and deletion, we propose a model of key interaction interfaces that reveals the structural basis for this difference in functional conservation. Together, our findings establish a framework for understanding the structure-function relationships of the XPC complex in the interplay between transcription and DNA repair. C1 [Zhang, Elisa T.; Grob, Patricia; Fong, Yick W.; Nogales, Eva; Tjian, Robert] Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. [Zhang, Elisa T.; Grob, Patricia; Fong, Yick W.; Nogales, Eva; Tjian, Robert] Univ Calif Berkeley, Howard Hughes Med Inst, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. [Zhang, Elisa T.; Tjian, Robert] Univ Calif Berkeley, CIRM Ctr Excellence, Li Ka Shing Ctr Biomed & Hlth Sci, Berkeley, CA 94720 USA. [He, Yuan; Nogales, Eva] Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94710 USA. [Tjian, Robert] Howard Hughes Med Inst, Chevy Chase, MD 20815 USA. RP Tjian, R (reprint author), Univ Calif Berkeley, Dept Mol & Cell Biol, 229 Stanley Hall, Berkeley, CA 94720 USA. EM jmlim@berkeley.edu OI Zhang, Elisa/0000-0003-1294-2372; He, Yuan/0000-0002-1455-3963 FU California Institute for Regenerative Medicine (CIRM) [RB4-06016]; National Institute of General Medical Sciences [GM63072]; CIRM Scholar (Training Grant) [T1-00007] FX We thank G. Kemalyan, R. Louder, S. Howes, and D.W. Taylor for microscope and data processing guidance; T. Houweling for computer support; G. Dailey for help with expression constructs; and S. Zheng and C. Inouye for help with in vitro transcription components. We are grateful to M. Iadanza and T. Gonen for help with initial negative stain analysis. We thank R. Lesch and R. Schekman for yeast cells for cloning the yeast Rad4 complex. We thank C. Cattoglio, J.J. Ho, G. E. Katibah, D. C. Rio, A. Martin, and D. E. Wemmer for valuable discussion. This work was supported by the California Institute for Regenerative Medicine (CIRM) Research Grant RB4-06016 (to R.T.) and by the National Institute of General Medical Sciences (GM63072; to E.N.). E.T.Z. was a National Science Foundation Graduate Research Fellow and a University of California Berkeley Distinguished Fellow. Y.W.F. was a CIRM Scholar (Training Grant T1-00007). R.T. and E.N. are Howard Hughes Medical Institute (HHMI) Investigators. R.T. is the President of HHMI and the Director of the Li Ka Shing Center for Biomedical and Health Sciences. NR 60 TC 2 Z9 2 U1 1 U2 5 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 DEC 1 PY 2015 VL 112 IS 48 BP 14817 EP 14822 DI 10.1073/pnas.1520104112 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CX8XR UT WOS:000365988900039 PM 26627236 ER PT J AU Yang, WQ Wittkopp, TM Li, XB Warakanont, J Dubini, A Catalanotti, C Kim, RG Nowack, ECM Mackinder, LCM Aksoy, M Page, MD D'Adamo, S Saroussi, S Heinnickel, M Johnson, X Richaud, P Alric, J Boehm, M Jonikas, MC Benning, C Merchant, SS Posewitz, MC Grossman, AR AF Yang, Wenqiang Wittkopp, Tyler M. Li, Xiaobo Warakanont, Jaruswan Dubini, Alexandra Catalanotti, Claudia Kim, Rick G. Nowack, Eva C. M. Mackinder, Luke C. M. Aksoy, Munevver Page, Mark Dudley D'Adamo, Sarah Saroussi, Shai Heinnickel, Mark Johnson, Xenie Richaud, Pierre Alric, Jean Boehm, Marko Jonikas, Martin C. Benning, Christoph Merchant, Sabeeha S. Posewitz, Matthew C. Grossman, Arthur R. TI Critical role of Chlamydomonas reinhardtii ferredoxin-5 in maintaining membrane structure and dark metabolism SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE ferredoxin; dark growth; thylakoid lipids; triacylglycerol; redox regulation ID GREEN-ALGA; BIOSYNTHESIS; DEFICIENT; MUTANT; PHOTOSYNTHESIS; IDENTIFICATION; OXIDOREDUCTASE; CHLOROPLASTS; ACCUMULATION; PURIFICATION AB Photosynthetic microorganisms typically have multiple isoforms of the electron transfer protein ferredoxin, although we know little about their exact functions. Surprisingly, a Chlamydomonas reinhardtii mutant null for the ferredoxin-5 gene (FDX5) completely ceased growth in the dark, with both photosynthetic and respiratory functions severely compromised; growth in the light was unaffected. Thylakoid membranes in dark-maintained fdx5 mutant cells became severely disorganized concomitant with a marked decrease in the ratio of monogalactosyldiacylglycerol to digalactosyldiacylglycerol, major lipids in photosynthetic membranes, and the accumulation of triacylglycerol. Furthermore, FDX5 was shown to physically interact with the fatty acid desaturases Cr Delta 4FAD and CrFAD6, likely donating electrons for the desaturation of fatty acids that stabilize monogalactosyldiacylglycerol. Our results suggest that in photosynthetic organisms, specific redox reactions sustain dark metabolism, with little impact on daytime growth, likely reflecting the tailoring of electron carriers to unique intracellular metabolic circuits under these two very distinct redox conditions. C1 [Yang, Wenqiang; Wittkopp, Tyler M.; Li, Xiaobo; Catalanotti, Claudia; Kim, Rick G.; Nowack, Eva C. M.; Mackinder, Luke C. M.; Aksoy, Munevver; Saroussi, Shai; Heinnickel, Mark; Johnson, Xenie; Alric, Jean; Jonikas, Martin C.; Grossman, Arthur R.] Carnegie Inst Sci, Dept Plant Biol, Stanford, CA 94305 USA. [Wittkopp, Tyler M.; Kim, Rick G.] Stanford Univ, Dept Biol, Stanford, CA 94305 USA. [Warakanont, Jaruswan] Michigan State Univ, Dept Plant Biol, E Lansing, MI 48824 USA. [Dubini, Alexandra; Boehm, Marko] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Page, Mark Dudley; Merchant, Sabeeha S.] Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA. [D'Adamo, Sarah; Posewitz, Matthew C.] Colorado Sch Mines, Dept Chem & Geochem, Golden, CO 80401 USA. [Johnson, Xenie; Richaud, Pierre; Alric, Jean] Aix Marseille Univ, CNRS, CEA, F-13108 St Paul Les Durance, France. [Benning, Christoph] Michigan State Univ, Dept Energy, Plant Res Lab, E Lansing, MI 48824 USA. [Merchant, Sabeeha S.] Univ Calif Los Angeles, Inst Genom & Prote, Los Angeles, CA 90095 USA. RP Yang, WQ (reprint author), Carnegie Inst Sci, Dept Plant Biol, 290 Panama St, Stanford, CA 94305 USA. EM wenqiangy@gmail.com RI dubini, alexandra /A-7252-2016; Alric, Jean/E-3538-2013; OI dubini, alexandra /0000-0001-8825-3915; Alric, Jean/0000-0003-3574-2234; Li, Xiaobo/0000-0003-3951-9646 FU HelioBiotec, EU [1944-32670]; Provence Alpes Cote d'Azur (PACA) [DEB 09-621]; Commissariat a l'Energie Atomique; Office of Biological and Environmental Research; Genomic Science Program; Office of Science, US Department of Energy [DE-FG02-07ER64427, DE-FG02-12ER16338, DE-FG02-12ER16339]; National Science Foundation (NSF) [IOS-1359682]; MCB [1157231]; NIH [GM42143]; Michigan State University AgBioResearch; NIH for Jeol [1s10RR02678001, Jeol TEM 1400] FX We thank Dr. Gilles Peltier for PGRL1 antibodies and Dr. Fabrice Franck for Nda2 antibodies. The plasmids of pMetYC-DEST and pNX22-DEST and the yeast strains THY. AP4 and THY. AP5 were kindly provided by Dr. Wolf Frommer. MIMS experiments (performed by J.A., X.J., and P.R.) were supported by HelioBiotec, EU Grant 1944-32670, Provence Alpes Cote d'Azur (PACA) DEB 09-621, and Commissariat a l'Energie Atomique. This work was supported by the Office of Biological and Environmental Research, Genomic Science Program, Office of Science, US Department of Energy Grants DE-FG02-07ER64427 and DE-FG02-12ER16338 (to A.R.G.) and DE-FG02-12ER16339 (to M.C.P.); National Science Foundation (NSF) Grants IOS-1359682 (to M.C.J.) and MCB 1157231 (to C.B.); NIH Grant GM42143 (to S.S.M.); Michigan State University AgBioResearch (to C.B.); as well as funds from the Carnegie Institution for Science (to A.R.G. and M.C.J.). J.W. is supported by the Royal Thai Government Scholarship. We acknowledge NIH Grant 1s10RR02678001 for the Jeol TEM 1400. NR 40 TC 2 Z9 2 U1 5 U2 25 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 DEC 1 PY 2015 VL 112 IS 48 BP 14978 EP 14983 DI 10.1073/pnas.1515240112 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CX8XR UT WOS:000365988900066 PM 26627249 ER PT J AU Rubin, BE Wetmore, KM Price, MN Diamond, S Shultzaberger, RK Lowe, LC Curtin, G Arkin, AP Deutschbauer, A Golden, SS AF Rubin, Benjamin E. Wetmore, Kelly M. Price, Morgan N. Diamond, Spencer Shultzaberger, Ryan K. Lowe, Laura C. Curtin, Genevieve Arkin, Adam P. Deutschbauer, Adam Golden, Susan S. TI The essential gene set of a photosynthetic organism SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE RB-TnSeq; transposon mutagenesis; Tn-seq; cyanobacteria; photosynthesis ID SYNECHOCYSTIS SP PCC-6803; TRICARBOXYLIC-ACID CYCLE; GROUP-I INTRONS; TRANSFER-RNA GENES; SP STRAIN PCC-7942; BLUE-GREEN-ALGAE; ESCHERICHIA-COLI; SYNECHOCOCCUS-ELONGATUS; PHOTOSYSTEM-II; EVOLUTIONARY PATTERNS AB Synechococcus elongatus PCC 7942 is a model organism used for studying photosynthesis and the circadian clock, and it is being developed for the production of fuel, industrial chemicals, and pharmaceuticals. To identify a comprehensive set of genes and intergenic regions that impacts fitness in S. elongatus, we created a pooled library of similar to 250,000 transposon mutants and used sequencing to identify the insertion locations. By analyzing the distribution and survival of these mutants, we identified 718 of the organism's 2,723 genes as essential for survival under laboratory conditions. The validity of the essential gene set is supported by its tight overlap with well-conserved genes and its enrichment for core biological processes. The differences noted between our dataset and these predictors of essentiality, however, have led to surprising biological insights. One such finding is that genes in a large portion of the TCA cycle are dispensable, suggesting that S. elongatus does not require a cyclic TCA process. Furthermore, the density of the transposon mutant library enabled individual and global statements about the essentiality of noncoding RNAs, regulatory elements, and other intergenic regions. In this way, a group I intron located in tRNALeu, which has been used extensively for phylogenetic studies, was shown here to be essential for the survival of S. elongatus. Our survey of essentiality for every locus in the S. elongatus genome serves as a powerful resource for understanding the organism's physiology and defines the essential gene set required for the growth of a photosynthetic organism. C1 [Rubin, Benjamin E.; Diamond, Spencer; Lowe, Laura C.; Curtin, Genevieve; Golden, Susan S.] Univ Calif San Diego, Div Biol Sci, La Jolla, CA 92093 USA. [Wetmore, Kelly M.; Price, Morgan N.; Arkin, Adam P.; Deutschbauer, Adam] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Shultzaberger, Ryan K.] Univ Calif San Diego, Kavli Inst Brain & Mind, La Jolla, CA 92093 USA. [Arkin, Adam P.] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. RP Golden, SS (reprint author), Univ Calif San Diego, Div Biol Sci, La Jolla, CA 92093 USA. EM sgolden@ucsd.edu RI Arkin, Adam/A-6751-2008; Diamond, Spencer/A-9122-2017 OI Arkin, Adam/0000-0002-4999-2931; Diamond, Spencer/0000-0003-4131-341X FU National Science Foundation Grant [MCB1244108]; NIH Cell and Molecular Genetics Training Grant [T32GM00724]; Laboratory-Directed Research and Development Funding from Lawrence Berkeley National Laboratory [DE-AC02-05CH11231]; Community Science Project from Joint Genome Institute; Office of Science of US Department of Energy [DE-AC02-05CH11231] FX We thank B. Irvine for his input into metrics for essentiality; Drs. R. Simkovsky and A. Taton for thoughtful advice on experimental design and data analysis; A. Pal for assistance in conjugating the library; Drs. J. Bristow and L. Pennacchio for ideas and assistance at the conception of the project; Dr. D. Welkie for edits; and Dr. R. Steuer for consultation on the TCA cycle figure. This research was supported by National Science Foundation Grant MCB1244108 (to S.S.G.) and NIH Cell and Molecular Genetics Training Grant T32GM00724. BarSeq mutant fitness data were supported by Laboratory-Directed Research and Development Funding from Lawrence Berkeley National Laboratory provided by the Director, Office of Science of the US Department of Energy Contract DE-AC02-05CH11231 and a Community Science Project from the Joint Genome Institute (to A.P.A. and A.D.). The work conducted by the US Department of Energy Joint Genome Institute, a Department of Energy Office of Science User Facility, is supported by Office of Science of the US Department of Energy Contract DE-AC02-05CH11231. NR 70 TC 13 Z9 13 U1 4 U2 28 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 DEC 1 PY 2015 VL 112 IS 48 BP E6634 EP E6643 DI 10.1073/pnas.1519220112 PG 10 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CX8XR UT WOS:000365988900009 PM 26508635 ER PT J AU Michelsen, HA Schulz, C Smallwood, GJ Will, S AF Michelsen, H. A. Schulz, C. Smallwood, G. J. Will, S. TI Laser-induced incandescence: Particulate diagnostics for combustion, atmospheric, and industrial applications SO PROGRESS IN ENERGY AND COMBUSTION SCIENCE LA English DT Review DE Laser-induced incandescence; Particulate diagnostics; Nanoparticles; Nanoscale heat transfer; Soot; Black carbon ID SOOT-VOLUME FRACTION; LAMINAR DIFFUSION FLAMES; PARTICLE-SIZE MEASUREMENTS; BLACK CARBON MEASUREMENTS; ANGLE X-RAY; THERMAL ACCOMMODATION COEFFICIENTS; POLYCYCLIC AROMATIC-HYDROCARBONS; ABSORPTION CROSS-SECTION; TIME-RESOLVED LII; FRAGMENTATION FLUORESCENCE SPECTROSCOPY AB The understanding of soot formation in combustion processes and the optimization of practical combustion systems require in situ measurement techniques that can provide important characteristics, such as particle concentrations and sizes, under a variety of conditions. Of equal importance are techniques suitable for characterizing soot particles produced from incomplete combustion and emitted into the environment. Additionally, the production of engineered nanoparticles, such as carbon blacks, may benefit from techniques that allow for online monitoring of these processes. In this paper, we review the fundamentals and applications of laser-induced incandescence (LII) for particulate diagnostics in a variety of fields. The review takes into account two variants of LII, one that is based on pulsed-laser excitation and has been mainly used in combustion diagnostics and emissions measurements, and an alternate approach that relies on continuous-wave lasers and has become increasingly popular for measuring black carbon in environmental applications. We also review the state of the art in the determination of physical parameters central to the processes that contribute to the non-equilibrium nanoscale heat and mass balances of laser-heated particles; these parameters are important for LII-signal analysis and simulation. Awareness of the significance of particle aggregation and coatings has increased recently, and the effects of these characteristics on the LII technique are discussed. Because of the range of experimental constraints in the variety of applications for which laser-induced incandescence is suited, many implementation approaches have been developed. This review discusses considerations for selection of laser and detection characteristics to address application-specific needs. The benefits of using LII for measurements of a range of nanoparticles in the fields mentioned above are demonstrated with some typical examples, covering simple flames, internal-combustion engines, exhaust emissions, the ambient atmosphere, and nanoparticle production. We also remark on less well-known studies employing LII for particles suspended in liquids. An important aspect of the paper is to critically assess the improvement in the understanding of the fundamental physical mechanisms at the nanoscale and the determination of underlying parameters; we also identify further research needs in these contexts. Building on this enhanced capability in describing the underlying complex processes, LII has become a workhorse of particulate measurement in a variety of fields, and its utility continues to be expanding. When coupled with complementary methods, such as light scattering, probe-sampling, molecular-beam techniques, and other nanoparticle instrumentation, new directions for research and applications with LII continue to materialize. (C) 2015 Published by Elsevier Ltd. C1 [Michelsen, H. A.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. [Schulz, C.] Univ Duisburg Essen, Inst Combust & Gas Dynam React Fluids IVG, D-47057 Duisburg, Germany. [Schulz, C.] Univ Duisburg Essen, Ctr Nanointegrat CENIDE, D-47057 Duisburg, Germany. [Smallwood, G. J.] Natl Res Council Canada, Measurement Sci & Stand, Ottawa, ON K1A 0R6, Canada. [Will, S.] Univ Erlangen Nurnberg, Lehrstuhl Tech Thermodynam, D-91058 Erlangen, Germany. [Will, S.] Univ Erlangen Nurnberg, Erlangen Grad Sch Adv Opt Technol SAOT, D-91058 Erlangen, Germany. RP Will, S (reprint author), Univ Erlangen Nurnberg, Lehrstuhl Tech Thermodynam, Weichselgarten 8, D-91058 Erlangen, Germany. EM stefan.will@fau.de RI Schulz, Christof/A-5711-2010; Will, Stefan/A-8899-2017 OI Schulz, Christof/0000-0002-6879-4826; Will, Stefan/0000-0002-1226-0075 FU Sandia Corporation, a Lockheed Martin Company [DE-AC04-94-AL85000]; Sandia Laboratory Directed Research and Development program; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, the Division of Chemical Sciences, Geosciences, and Biosciences FX We thank Drs. Chris Sorensen, Dave Snelling, and Kevin Thomson for enlightening discussions about light scattering and Maxwell Garnett Theory, Daniel Strong for the illustrations shown in Figs. 1 and 7, and Amy Halloran for providing valuable feedback on our manuscript. HAM was funded by the Sandia Laboratory Directed Research and Development program to review atmospheric applications of LII and the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, the Division of Chemical Sciences, Geosciences, and Biosciences to review applications of LII to combustion systems. Sandia is a multi-program laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the National Nuclear Security Administration under contract DE-AC04-94-AL85000. NR 517 TC 18 Z9 18 U1 18 U2 79 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0360-1285 J9 PROG ENERG COMBUST JI Prog. Energy Combust. Sci. PD DEC PY 2015 VL 51 BP 2 EP 48 DI 10.1016/j.pecs.2015.07.001 PG 47 WC Thermodynamics; Energy & Fuels; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA CY2GU UT WOS:000366227600002 ER PT J AU Jang, DH Anderson-Cook, CM AF Jang, Dae-Heung Anderson-Cook, Christine M. TI Firework Plots for Evaluating the Impact of Outliers and Influential Observations in Generalized Linear Models SO QUALITY TECHNOLOGY AND QUANTITATIVE MANAGEMENT LA English DT Article DE 3-D firework plot; influential observations; outliers; pairwise firework plot matrix ID REGRESSION AB Outliers can distort many measures in data analysis and statistical modeling, and influential points can have disproportionate impact on the estimated values of model parameters. Jang and Anderson-Cook (2013) proposed a new set of graphical summaries, called firework plots, as simple tools for evaluating the impact of outliers and influential points in regression. Variations of the plots focus on allowing visualization of the impact on the estimated parameters and variability. In the generalized linear models analysis setting, the impact of changing model parameters is often less transparent than in the linear model setting and variability can be captured with the deviance. Hence, this paper describes how 3-D firework plots and the pairwise firework plot matrix can be used to increase understanding of contributions of individual observations and as a complement to other regression diagnostics techniques in the generalized linear models setting. Using these firework plots, we can find outliers and influential points and their impact on model parameters. We illustrate the information and understanding gain possible with several examples. C1 [Jang, Dae-Heung] Pukyong Natl Univ, Dept Stat, Busan, South Korea. [Anderson-Cook, Christine M.] Los Alamos Natl Lab, Stat Sci Grp, Los Alamos, NM 87545 USA. RP Anderson-Cook, CM (reprint author), Los Alamos Natl Lab, Stat Sci Grp, Los Alamos, NM 87545 USA. EM candcook@lanl.gov FU Basic Science Research Program through the National Research Foundation of Korea (NRF) - Ministry of Education [2014R1A1A4A01008238] FX This research was supported in part by the Basic Science Research Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Education (2014R1A1A4A01008238). NR 10 TC 0 Z9 0 U1 5 U2 5 PU NCTU-NATIONAL CHIAO TUNG UNIV PRESS PI TAICHUNG PA NO 100, WENHWA RD, TAICHUNG, 40724 ROC, TAIWAN SN 1684-3703 EI 1811-4857 J9 QUAL TECHNOL QUANT M JI Qual. Technol. Quant. Manag. PD DEC PY 2015 VL 12 IS 4 BP 423 EP 436 PG 14 WC Engineering, Industrial; Operations Research & Management Science; Statistics & Probability SC Engineering; Operations Research & Management Science; Mathematics GA CX9DK UT WOS:000366005000001 ER PT J AU Mitrofanov, O Yu, W Thompson, RJ Jiang, Y Greenberg, ZJ Palmer, J Brener, I Pan, W Berger, C de Heer, WA Jiang, Z AF Mitrofanov, O. Yu, W. Thompson, R. J. Jiang, Y. Greenberg, Z. J. Palmer, J. Brener, I. Pan, W. Berger, C. de Heer, W. A. Jiang, Z. TI Terahertz near-field imaging of surface plasmon waves in graphene structures SO SOLID STATE COMMUNICATIONS LA English DT Article DE THz near-field microscopy; Surface plasmons; Epitaxial graphene ID EPITAXIAL GRAPHENE; CONFINEMENT; PROBE AB We introduce a near-field scanning probe terahertz (THz) microscopy technique for probing surface plasmon waves on graphene. Based on THz time-domain spectroscopy method, this near-field imaging approach is well suited for studying the excitation and evolution of THz plasmon waves on graphene as well as for mapping of graphene properties at THz frequencies on the sub-wavelength scale. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Mitrofanov, O.; Thompson, R. J.] UCL, Elect & Elect Engn, London WC1E 7JE, England. [Mitrofanov, O.; Brener, I.] Sandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA. [Yu, W.; Jiang, Y.; Greenberg, Z. J.; Palmer, J.; Berger, C.; de Heer, W. A.; Jiang, Z.] Georgia Inst Technol, Sch Phys, Atlanta, GA 30332 USA. [Brener, I.; Pan, W.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Berger, C.] Inst Neel, CNRS, F-38042 Grenoble, France. RP Mitrofanov, O (reprint author), UCL, Elect & Elect Engn, London WC1E 7JE, England. EM o.mitrofanov@ucl.ac.uk; zhigang.jiang@physics.gatech.edu RI Mitrofanov, Oleg/C-1938-2008 OI Mitrofanov, Oleg/0000-0003-3510-2675 FU Royal Society [UF080745]; U.S. Department of Energy (DOE) Office of Science by SNL [DE-AC04-94AL85000]; NSF [DMR-0820382]; DOE Office of Basic Energy Sciences through a contract with SNL; EU flagship graphene [604391]; Laboratory Directed Research and Development project; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was supported by the Royal Society [Grant no. UF080745] and performed at UCL and at the Center for Integrated Nanotechnologies, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science by SNL [Contract no. DE-AC04-94AL85000]. Epitaxial graphene growth and device fabrication are carried out at GaTech, supported by the NSF [DMR-0820382] and the DOE Office of Basic Energy Sciences through a contract with SNL. C.B. acknowledges partial funding from the EU flagship graphene [Grant no. 604391]. The work at SNL was supported by a Laboratory Directed Research and Development project. 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 30 TC 7 Z9 7 U1 8 U2 36 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0038-1098 EI 1879-2766 J9 SOLID STATE COMMUN JI Solid State Commun. PD DEC PY 2015 VL 224 BP 47 EP 52 DI 10.1016/j.ssc.2015.08.013 PG 6 WC Physics, Condensed Matter SC Physics GA CY0BE UT WOS:000366070300011 ER PT J AU Martin, M Martin, RC Allman, S Brice, D Wymore, A Andre, N AF Martin, Madhavi Martin, Rodger C. Allman, Steve Brice, Deanne Wymore, Ann Andre, Nicolas TI Quantification of rare earth elements using laser-induced breakdown spectroscopy SO SPECTROCHIMICA ACTA PART B-ATOMIC SPECTROSCOPY LA English DT Article DE Laser-induced breakdown spectroscopy; LIBS; Rare earths; Multielemental analysis ID ATOMIC EMISSION-SPECTROMETRY; MUTUAL SPECTRAL INTERFERENCES; AQUEOUS-SOLUTION; INDUCED PLASMA; SCANDIUM; MATRICES; YTTRIUM; TRACES; PART; LIBS AB A study of the optical emission as a function of concentration of laser-ablated yttrium (Y) and of six rare earth elements, europium (Eu), gadolinium (Gd), lanthanum (La), praseodymium (Pr), neodymium (Nd), and samarium (Sm), has been evaluated using the laser-induced breakdown spectroscopy (LIBS) technique. Statistical methodology using multivariate analysis has been used to obtain the sampling errors, coefficient of regression, calibration, and cross-validation of measurements as they relate to the LIBS analysis in graphite-matrix pellets that were doped with elements at several concentrations. Each element (in oxide form) was mixed in the graphite matrix in percentages ranging from 1% to 50% by weight and the LIBS spectra obtained for each composition as well as for pure oxide samples. Finally, a single pellet was mixed with all the elements in equal oxide masses to determine if we can identify the elemental peaks in a mixed pellet This dataset is relevant for future application to studies of fission product content and distribution in irradiated nuclear fuels. These results demonstrate that LIBS technique is inherently well suited for the future challenge of in situ analysis of nuclear materials. These studies also show that LIBS spectral analysis using statistical methodology can provide quantitative results and suggest an approach in future to the far more challenging multielemental analysis of similar to 20 primary elements in high-bumup nuclear reactor fuel. (C) 2015 Elsevier B.V. All rights reserved. C1 [Martin, Madhavi; Allman, Steve; Wymore, Ann] Div Biol Sci, Oak Ridge, TN 37831 USA. [Martin, Rodger C.] Fus & Mat Nucl Syst Div, Oak Ridge, TN 37831 USA. [Brice, Deanne] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Andre, Nicolas] Univ Tennessee, Ctr Renewable Carbon, Knoxville, TN 37996 USA. RP Martin, M (reprint author), Oak Ridge Natl Lab, Div Biol Sci, Oak Ridge, TN 37831 USA. RI Allman, Steve/A-9121-2011; OI Allman, Steve/0000-0001-6538-7048; Martin, Madhavi/0000-0002-6677-2180 FU U.S. Department of Energy [DE-AC05-00OR22725] FX This research was supported by the U.S. Department of Energy. 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 non-exclusive, 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. NR 49 TC 6 Z9 6 U1 4 U2 20 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0584-8547 J9 SPECTROCHIM ACTA B JI Spectroc. Acta Pt. B-Atom. Spectr. PD DEC 1 PY 2015 VL 114 BP 65 EP 73 DI 10.1016/j.sab.2015.10.005 PG 9 WC Spectroscopy SC Spectroscopy GA CY0CC UT WOS:000366072900011 ER PT J AU Gagne, D French, RL Narayanan, C Simonovic, M Agarwal, PK Doucet, N AF Gagne, Donald French, Rachel L. Narayanan, Chitra Simonovic, Miljan Agarwal, Pratul K. Doucet, Nicolas TI Perturbation of the Conformational Dynamics of an Active-Site Loop Alters Enzyme Activity SO STRUCTURE LA English DT Article ID NMR RELAXATION DISPERSION; DENATURED RIBONUCLEASE-A; MOLECULAR-DYNAMICS; SECONDARY-STRUCTURE; ENERGY LANDSCAPES; PROTEIN DYNAMICS; CYCLOPHILIN-A; MOTIONS; CATALYSIS; ISOMERIZATION AB The role of internal dynamics in enzyme function is highly debated. Specifically, how small changes in structure far away from the reaction site alter protein dynamics and overall enzyme mechanisms is of wide interest in protein engineering. Using RNase A as a model, we demonstrate that elimination of a single methyl group located >10 angstrom away from the reaction site significantly alters conformational integrity and binding properties of the enzyme. This A109G mutation does not perturb structure or thermodynamic stability, both in the apo and ligand-bound states. However, significant enhancement in conformational dynamics was observed for the bound variant, as probed over nano-to millisecond timescales, resulting in major ligand repositioning. These results illustrate the large effects caused by small changes in structure on long-range conformational dynamics and ligand specificities within proteins, further supporting the importance of preserving wild-type dynamics in enzyme systems that rely on flexibility for function. C1 [Gagne, Donald; Narayanan, Chitra; Doucet, Nicolas] Univ Quebec, INRS Inst Armand Frappier, Laval, PQ H7V 1B7, Canada. [French, Rachel L.; Simonovic, Miljan] Univ Illinois, Dept Biochem & Mol Genet, Chicago, IL 60607 USA. [Agarwal, Pratul K.] Oak Ridge Natl Lab, Computat Biol Inst, Oak Ridge, TN 37830 USA. [Agarwal, Pratul K.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37830 USA. [Agarwal, Pratul K.] Univ Tennessee, Dept Biochem Cellular & Mol Biol, Knoxville, TN 37996 USA. [Doucet, Nicolas] Univ Laval, Quebec Network Res Prot Funct Engn & Applicat, PROTEO, Laval, PQ G1V 0A6, Canada. [Doucet, Nicolas] McGill Univ, GRASP, Montreal, PQ H3G 0B1, Canada. RP Doucet, N (reprint author), Univ Quebec, INRS Inst Armand Frappier, 531 Blvd Prairies, Laval, PQ H7V 1B7, Canada. EM nicolas.doucet@iaf.inrs.ca OI Simonovic, Miljan/0000-0002-1576-2222 FU National Institute of General Medical Sciences (NIGMS) of the NIH [R01GM105978]; Natural Sciences and Engineering Research Council of Canada (NSERC) [RGPIN 402623-2011]; NSERC Alexander Graham Bell Canada Graduate Scholarship; Fonds de Recherche Quebec - Sante; (FRQS) Research Scholar Junior 1 Career Award FX The authors thank Tara Sprules and Sameer Al-Abdul-Wahid of the Quebec/Eastern Canada High Field NMR Facility (McGill University) for their excellent technical assistance, in addition to Laurie-Anne Charest for her help with NMR titration experiments. This work was supported by the National Institute of General Medical Sciences (NIGMS) of the NIH under award number R01GM105978 (to N.D. and P.K.A.) and a Natural Sciences and Engineering Research Council of Canada (NSERC) Discovery Grant under award number RGPIN 402623-2011 (to N.D.). D.G. was the recipient of an NSERC Alexander Graham Bell Canada Graduate Scholarship. N.D. holds a Fonds de Recherche Quebec - Sante; (FRQS) Research Scholar Junior 1 Career Award. NR 50 TC 6 Z9 6 U1 2 U2 12 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 DEC 1 PY 2015 VL 23 IS 12 BP 2256 EP 2266 DI 10.1016/j.str.2015.10.011 PG 11 WC Biochemistry & Molecular Biology; Biophysics; Cell Biology SC Biochemistry & Molecular Biology; Biophysics; Cell Biology GA CY1MQ UT WOS:000366171500008 PM 26655472 ER PT J AU Das, A Gerlits, O Parks, JM Langan, P Kovalevsky, A Heller, WT AF Das, Amit Gerlits, Oksana Parks, Jerry M. Langan, Paul Kovalevsky, Andrey Heller, William T. TI Protein Kinase A Catalytic Subunit Primed for Action: Time-Lapse Crystallography of Michaelis Complex Formation SO STRUCTURE LA English DT Article ID DIVALENT METAL-IONS; RATE-DETERMINING STEP; PHOSPHORYL TRANSFER; CRYSTAL-STRUCTURE; PEPTIDE INHIBITOR; CONFORMATIONAL-CHANGES; MOLECULAR-DYNAMICS; ADENOSINE; MECHANISM; SITE AB The catalytic subunit of the cyclic AMP-dependent protein kinase A (PKAc) catalyzes the transfer of the gamma-phosphate of bound Mg(2)ATP to a serine or threonine residue of a protein substrate. Here, timelapse X-ray crystallography was used to capture a series of complexes of PKAc with an oligopeptide substrate and unreacted Mg(2)ATP, including the Michaelis complex, that reveal important geometric rearrangements in and near the active site preceding the phosphoryl transfer reaction. Contrary to the prevailing view, Mg2+ binds first to the M1 site as a complex with ATP and is followed by Mg2+ binding to the M2 site. Concurrently, the target serine hydroxyl of the peptide substrate rotates away from the active site toward the bulk solvent, which breaks the hydrogen bond with D166. Lastly, the serine hydroxyl of the substrate rotates back toward D166 to form the Michaelis complex with the active site primed for phosphoryl transfer. C1 [Das, Amit; Gerlits, Oksana; Langan, Paul; Kovalevsky, Andrey; Heller, William T.] Oak Ridge Natl Lab, Biol & Soft Matter Div, Oak Ridge, TN 37831 USA. [Parks, Jerry M.] Oak Ridge Natl Lab, Biosci Div, UT ORNL Ctr Mol Biophys, Oak Ridge, TN 37831 USA. RP Das, A (reprint author), Bhabha Atom Res Ctr, Div Solid State Phys, Prot Crystallog Sect, Bombay 400085, Maharashtra, India. EM amitdas@barc.gov.in; hellerwt@ornl.gov RI Parks, Jerry/B-7488-2009; Langan, Paul/N-5237-2015; OI Parks, Jerry/0000-0002-3103-9333; Langan, Paul/0000-0002-0247-3122; Kovalevsky, Andrey/0000-0003-4459-9142 FU Laboratory Directed Research and Development funding from ORNL; NIH/NIGMS [1R01GM071939-01]; U.S. Department of Energy office of Basic Energy Sciences; U.S. Department of Energy [DE-AC05-00OR22725] FX A.D. and W.T.H. were supported, and O.G. and P.L. were partly supported, by Laboratory Directed Research and Development funding from ORNL. P.L. was partly supported by an NIH/NIGMS-funded consortium (Grant 1R01GM071939-01) between ORNL and LBNL to develop computational tools for neutron protein crystallography. Use of the Advanced Photon Source was supported by the U.S. Department of Energy office of Basic Energy Sciences. We are grateful to the staff of the SBC-CAT of the 19-ID beamline for their support during data collection. This manuscript has been authored by UT-Battelle, LLC under Contract No. DE-AC05-00OR22725 for the U.S. Department of Energy. The United States Government retains copyright and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government 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 66 TC 0 Z9 0 U1 1 U2 15 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 DEC 1 PY 2015 VL 23 IS 12 BP 2331 EP 2340 DI 10.1016/j.str.2015.10.005 PG 10 WC Biochemistry & Molecular Biology; Biophysics; Cell Biology SC Biochemistry & Molecular Biology; Biophysics; Cell Biology GA CY1MQ UT WOS:000366171500015 PM 26585512 ER PT J AU Polat, BD Eryilmaz, OL Keles, O Erdemir, A Amine, K AF Polat, B. D. Eryilmaz, O. L. Keles, O. Erdemir, A. Amine, K. TI Compositionally graded SiCu thin film anode by magnetron sputtering for lithium ion battery SO THIN SOLID FILMS LA English DT Article DE Lithium ion batteries; Anode; Magnetron sputtering; SiCu thin film; Graded-composition ID SOLID-STATE AMORPHIZATION; RECHARGEABLE BATTERIES; SILICON ANODES; GRAPHITE; CARBON AB Compositionally graded and non-graded composite SiCu thin films were deposited by magnetron sputtering technique on Cu disks for investigation of their potentials in lithiumion battery applications. The compositionally graded thin film electrodes with 30 at.% Cu delivered a 1400 mAh g(-1) capacity with 80% Coulombic efficiency in the first cycle and still retained its capacity at around 600 mAh g(-1) (with 99.9% Coulombic efficiency) even after 100 cycles. On the other hand, the non-graded thin film electrodes with 30 at.% Cu exhibited 1100 mAh g(-1) as the first discharge capacity with 78% Coulombic efficiency but the cycle life of this film degraded very quickly, delivering only 250 mAh g(-1) capacity after 100th cycles. Not only the Cu content but also the graded film thickness were believed to be the main contributors to the much superior performance of the compositionally graded SiCu films. We also believe that the Cu-rich region of the graded film helped reduce internal stress build-up and thus prevented film delamination during cycling. In particular, the decrease of Cu content from interface region to the top of the coating reduced the possibility of stress build-up across the film during cycling, thus leading to a high electrochemical performance.b (C) 2015 Elsevier B.V. All rights reserved. C1 [Polat, B. D.; Keles, O.] Istanbul Tech Univ, Dept Met & Mat Engn, TR-34469 Istanbul, Turkey. [Eryilmaz, O. L.; Erdemir, A.] Argonne Natl Lab, Energy Syst Div, Argonne, IL 60439 USA. [Amine, K.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Polat, BD (reprint author), Istanbul Tech Univ, Dept Met & Mat Engn, TR-34469 Istanbul, Turkey. EM bpolat@itu.edu.tr; ozgulkeles@itu.edu.tr FU U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy [DE-AC02-06CH11357] FX The authors thank Prof. Dr. Gultekin Goller , Prof. Dr. Mustafa Urgen Prof. Dr. Servet Timur, Huseyin Sezer, Sevgin Turkeli and Kubra Yumakgil for their valuable help for SEM, XRD and CV analyses. Work at Argonne National Laboratory was supported by the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, under Contract DE-AC02-06CH11357. NR 19 TC 1 Z9 2 U1 4 U2 14 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0040-6090 J9 THIN SOLID FILMS JI Thin Solid Films PD DEC 1 PY 2015 VL 596 BP 190 EP 197 DI 10.1016/j.tsf.2015.09.085 PG 8 WC Materials Science, Multidisciplinary; Materials Science, Coatings & Films; Physics, Applied; Physics, Condensed Matter SC Materials Science; Physics GA CY1YQ UT WOS:000366204900032 ER PT J AU Serrano-Posada, H Centeno-Leija, S Rojas-Trejo, SP Rodriguez-Almazan, C Stojanoff, V Rudino-Pinera, E AF Serrano-Posada, Hugo Centeno-Leija, Sara Patricia Rojas-Trejo, Sonia Rodriguez-Almazan, Claudia Stojanoff, Vivian Rudino-Pinera, Enrique TI X-ray-induced catalytic active-site reduction of a multicopper oxidase: structural insights into the proton-relay mechanism and O-2-reduction states SO ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY LA English DT Article DE copper depletion; dioxygen reduction; laccase; multicopper oxidase; proton-relay mechanism; radiation damage; X-ray-induced reduction ID O-O BOND; TRINUCLEAR COPPER CLUSTER; THERMUS-THERMOPHILUS HB27; CRYSTAL-STRUCTURE; ESCHERICHIA-COLI; MACROMOLECULAR CRYSTALLOGRAPHY; PEROXIDE INTERMEDIATE; NATIVE INTERMEDIATE; DIOXYGEN REDUCTION; METALLO-OXIDASE AB During X-ray data collection from a multicopper oxidase (MCO) crystal, electrons and protons are mainly released into the system by the radiolysis of water molecules, leading to the X-ray-induced reduction of O-2 to 2H(2)O at the trinuclear copper cluster (TNC) of the enzyme. In this work, 12 crystallographic structures of Thermus thermophilus HB27 multicopper oxidase (Tth-MCO) in holo, apo and Hg-bound forms and with different X-ray absorbed doses have been determined. In holo Tth-MCO structures with four Cu atoms, the proton-donor residue Glu451 involved in O-2 reduction was found in a double conformation: Glu451a (similar to 7 angstrom from the TNC) and Glu451b (similar to 4.5 angstrom from the TNC). A positive peak of electron density above 3.5 sigma in an F-o - F-c map for Glu451a O-epsilon 2 indicates the presence of a carboxyl functional group at the side chain, while its significant absence in Glu451b strongly suggests a carboxylate functional group. In contrast, for apo Tth-MCO and in Hg-bound structures neither the positive peak nor double conformations were observed. Together, these observations provide the first structural evidence for a proton-relay mechanism in the MCO family and also support previous studies indicating that Asp106 does not provide protons for this mechanism. In addition, eight composite structures (Tth-MCO-C1-8) with different X-ray-absorbed doses allowed the observation of different O-2-reduction states, and a total depletion of T2Cu at doses higher than 0.2 MGy showed the high susceptibility of this Cu atom to radiation damage, highlighting the importance of taking radiation effects into account in biochemical interpretations of an MCO structure. C1 [Serrano-Posada, Hugo; Patricia Rojas-Trejo, Sonia; Rodriguez-Almazan, Claudia; Rudino-Pinera, Enrique] Univ Nacl Autonoma Mexico, Inst Biotecnol, Med Mol & Bioproc, Cuernavaca 62210, Morelos, Mexico. [Serrano-Posada, Hugo; Centeno-Leija, Sara] Univ Nacl Autonoma Mexico, Inst Invest Biomed, Dept Mol Biol & Biotecnol, Mexico City 04510, DF, Mexico. [Stojanoff, Vivian] Brookhaven Natl Lab, NSLS, Upton, NY 11973 USA. RP Serrano-Posada, H (reprint author), Univ Nacl Autonoma Mexico, Inst Biotecnol, Med Mol & Bioproc, Ave Univ 2001, Cuernavaca 62210, Morelos, Mexico. EM hugoserrano@iibiomedicas.unam.mx; rudino@ibt.unam.mx OI Serrano-Posada, Hugo/0000-0002-7901-475X FU CONACyT [102370]; National Institute of General Medical Sciences, National Institute of Health [GM-0080]; PAPIIT [IN209114] FX HS-P was supported by a Postdoctoral Fellowship from CONACyT. ER-P acknowledges financial support from CONACyT project No. 102370 and PAPIIT IN209114. We are also grateful to the staff of beamline X6A at the BNL NSLS for data-collection facilities, in particular MSc Edwin Lazo and Dr Jean Jakoncic. The X6A beamline is funded by the National Institute of General Medical Sciences, National Institute of Health under agreement GM-0080. NR 62 TC 1 Z9 1 U1 3 U2 14 PU INT UNION CRYSTALLOGRAPHY PI CHESTER PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND SN 1399-0047 J9 ACTA CRYSTALLOGR D JI Acta Crystallogr. Sect. D-Biol. Crystallogr. PD DEC PY 2015 VL 71 BP 2396 EP 2411 DI 10.1107/S1399004715018714 PN 12 PG 16 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA CX5WT UT WOS:000365773900004 PM 26627648 ER PT J AU Ji, XY Shen, CP Riley, WJ AF Ji, Xinye Shen, Chaopeng Riley, William J. TI Temporal evolution of soil moisture statistical fractal and controls by soil texture and regional groundwater flow SO ADVANCES IN WATER RESOURCES LA English DT Article DE Soil moisture statistical fractal; Hydrologic scaling; PAWS plus CLM; Hysteresis; Groundwater flow ID DISTRIBUTED HYDROLOGIC MODEL; SURFACE PROCESSES MODEL; SCALING CHARACTERISTICS; CRITICAL-BEHAVIOR; SPATIAL-PATTERNS; VARIABILITY; DYNAMICS; FIELDS; SPACE; PARAMETERIZATIONS AB Soil moisture statistical fractal is an important tool for downscaling remotely-sensed observations and has the potential to play a key role in multi scale hydrologic modeling. The fractal was first introduced two decades ago, but relatively little is known regarding how its scaling exponents evolve in time in response to climatic forcings. Previous studies have neglected the process of moisture re-distribution due to regional groundwater flow, in this study we used a physically-based surface-subsurface processes model and numerical experiments to elucidate the patterns and controls of fractal temporal evolution in two U.S. Midwest basins. Groundwater flow was found to introduce large-scale spatial structure, thereby reducing the scaling exponents (tau), which has implications for the transferability of calibrated parameters to predict tau. However, the groundwater effects depend on complex interactions with other physical controls such as soil texture and land use. The fractal scaling exponents, while in general showing a seasonal mode that correlates with mean moisture content, display hysteresis after storm events that can be divided into three phases, consistent with literature findings: (a) wetting, (b) re-organizing, and (c) dry-down. Modeling experiments clearly show that the hysteresis is attributed to soil texture, whose "patchiness" is the primary contributing factor. We generalized phenomenological rules for the impacts of rainfall, soil texture, groundwater flow, and land use on tau evolution. Grid resolution has a mild influence on the results and there is a strong correlation between predictions of tau from different resolutions. Overall, our results suggest that groundwater flow should be given more consideration in studies of the soil moisture statistical fractal, especially in regions with a shallow water table. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Ji, Xinye; Shen, Chaopeng] Penn State Univ, Dept Civil & Environm Engn, University Pk, PA 16802 USA. [Riley, William J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Shen, CP (reprint author), Penn State Univ, Dept Civil & Environm Engn, University Pk, PA 16802 USA. EM xzj102@psu.edu; cshen@engr.psu.edu; wjriley@lbl.gov RI Riley, William/D-3345-2015 OI Riley, William/0000-0002-4615-2304 FU Office of Biological and Environmental Research of the U.S. Department of Energy [DE-SC0010620]; U.S. Department of Energy [DE-AC02-05CH11231] FX This research was supported by Office of Biological and Environmental Research of the U.S. Department of Energy to Pennsylvania State University under Contract No. DE-SC0010620; W.J.R. was also supported by U.S. Department of Energy to Lawrence Berkeley National Laboratory under Contract No. DE-AC02-05CH11231. Cartographical assistance from Kurt M. Smithgall is appreciated. NR 74 TC 4 Z9 4 U1 2 U2 19 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0309-1708 EI 1872-9657 J9 ADV WATER RESOUR JI Adv. Water Resour. PD DEC PY 2015 VL 86 BP 155 EP 169 DI 10.1016/j.advwatres.2015.09.027 PN A PG 15 WC Water Resources SC Water Resources GA CX3TT UT WOS:000365623000012 ER PT J AU Hansen, SK AF Hansen, Scott K. TI Effective ADE models for first-order mobile-immobile solute transport: Limits on validity and modeling implications SO ADVANCES IN WATER RESOURCES LA English DT Article DE Green's function; Sorption; Mobile-immobile; Dispersion; Anomalous transport ID TIME RANDOM-WALK; SURFACE-REACTIONS; MATRIX DIFFUSION; MASS-TRANSFER; EQUILIBRIUM; SORPTION; SOILS; FORMULATIONS; BEHAVIOR; EROSION AB Quasi-1D mobile-immobile transport processes which have exponentially distributed random waiting tunes in both mobile and immobile states are common in hydrologic models for example, of transport subject to kinetic sorption). The central limit theorem implies that eventually such transport will be expressible with an effective ADE (i.e. a generalization of the common retardation factor approach with an added Fickian dispersion coefficient accounting for the effect of trapping). Previous works have determined formulae for the value of this coefficient based on the transport properties. However, the time until convergence to Gaussian behavior has not previously been quantified. To this end, exact Green's functions characterizing the transport at all times are derived for the case of pure advection. The Green's functions are expressed in terms of three dimensionless parameters, representing location, time, and capacity coefficient. In the pre-Gaussian regime, a parametric study characterizing concentration profile asymmetry as a function of the capacity coefficient is performed. Next, heuristics are presented in terms of the dimensionless parameters for the time until the effective AIDE adequately reflects reality. For strongly retarded solute, the time until effective ADE validity is found inversely proportional to release (e.g., desorption) rate. The nature of the effective dispersion coefficient is examined, and the possibility of large trapping-driven dispersion even in cases where batch experiments would detect negligible trapping is demonstrated. Collectively, these results call into question reliance on retardation factors derived from batch experiments for many practical transport modeling efforts; knowledge of both the trapping and release kinetics appears essential. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Hansen, Scott K.] Weizmann Inst Sci, Dept Earth & Planetary Sci, IL-76100 Rehovot, Israel. RP Hansen, SK (reprint author), Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA. EM scott.kalev.hansen@gmail.com OI Hansen, Scott/0000-0001-8022-0123 FU Azrieli Foundation FX I thank the Azrieli Foundation for a postdoctoral fellowship which in part made this work possible. NR 31 TC 1 Z9 1 U1 3 U2 8 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0309-1708 EI 1872-9657 J9 ADV WATER RESOUR JI Adv. Water Resour. PD DEC PY 2015 VL 86 BP 184 EP 192 DI 10.1016/j.advwatres.2015.09.011 PN A PG 9 WC Water Resources SC Water Resources GA CX3TT UT WOS:000365623000014 ER PT J AU Gonzalez-Nicolas, A Bau, D Alzraiee, A AF Gonzalez-Nicolas, Ana Bau, Domenico Alzraiee, Ayman TI Detection of potential leakage pathways from geological carbon storage by fluid pressure data assimilation SO ADVANCES IN WATER RESOURCES LA English DT Article DE CO2 storage; Leakage; Ensemble Kalman filter; Ensemble smoother; Normal score transform ID ENSEMBLE KALMAN FILTER; HYDRAULIC CONDUCTIVITY; GAUSSIAN ANAMORPHOSIS; RESERVOIR SIMULATION; INVERSE METHODS; NORTH-ATLANTIC; CO2 STORAGE; MODEL; SMOOTHER; SYSTEMS AB One of the main concerns of geological carbon storage (GCS) systems is the risk of leakage through "weak" permeable areas of the sealing formation or caprock. Since the fluid pressure pulse travels faster than the carbon dioxide (CO,) plume across the storage reservoir, the fluid overpressure transmitted into overlying permeable formations through caprock discontinuities is potentially detectable sooner than actual CO2 leakage occurs. In this work, an inverse modeling method based on fluid pressure measurements collected in strata above the target CO2 storage formation is proposed, which aims at identifying the presence, the location, and the extent of possible leakage pathways through the caprock. We combine a three-dimensional subsurface multiphase flow model with ensemble based data assimilation algorithms to recognize potential caprock discontinuities that could undermine the long-term safety of GCS. The goal of this work is to examine and compare the capabilities of data assimilation algorithms such as the ensemble smoother (FS) and the restart ensemble Kalman filter (REnKF) to detect the presence of brine and/or CO2 leakage pathways, potentially in real-time during GCS operations. For the purpose of this study, changes in fluid pressure in the brine aquifer overlying to CO2 storage formation aquifer are hypothetically observed in monitoring bore holes, or provided by time-lapse seismic surveys. Caprock discontinuities are typically characterized locally by higher values of permeability, so that the permeability distribution tends to fit to a non Gaussian bimodal process, which hardly complies with the requirements of the ES and REnKF algorithms. Here, issues related to the non-Gaussianity of the caprock permeability field are investigated by developing and applying a normal score transform procedure. Results suggest that the REnKF is more effective than the ES in characterizing caprock discontinuities. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Gonzalez-Nicolas, Ana] Univ Texas Austin, Jackson Sch Geosci, Bur Econ Geol, Austin, TX 78713 USA. [Bau, Domenico] Univ Sheffield, Dept Civil & Struct Engn, Sheffield, S Yorkshire, England. [Alzraiee, Ayman] Sandia Natl Labs, Carlsbad, NM USA. RP Gonzalez-Nicolas, A (reprint author), Univ Texas Austin, Jackson Sch Geosci, Bur Econ Geol, Austin, TX 78713 USA. EM anagna@gmail.com RI Gonzalez-Nicolas Alvarez, Ana/M-9309-2015 OI Gonzalez-Nicolas Alvarez, Ana/0000-0003-2869-8255 FU U.S. Department of Energy, National Energy Technology Laboratory (DOE) [FE0001830] FX This research was supported by the U.S. Department of Energy, National Energy Technology Laboratory (DOE Grant FE0001830). The research conducted was also made possible with the support of Schlumberger Ltd., who kindly donated the reservoir simulation software suites PETREL and ECLIPSE, together with training opportunities to their use. NR 68 TC 0 Z9 0 U1 3 U2 10 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0309-1708 EI 1872-9657 J9 ADV WATER RESOUR JI Adv. Water Resour. PD DEC PY 2015 VL 86 BP 366 EP 384 DI 10.1016/j.advwatres.2015.10.006 PN B PG 19 WC Water Resources SC Water Resources GA CX3TY UT WOS:000365623500010 ER PT J AU Coleman, MA Sasi, SP Onufrak, J Natarajan, M Manickam, K Schwab, J Muralidharan, S Peterson, LE Alekseyev, YO Yan, XH Goukassian, DA AF Coleman, Matthew A. Sasi, Sharath P. Onufrak, Jillian Natarajan, Mohan Manickam, Krishnan Schwab, John Muralidharan, Sujatha Peterson, Leif E. Alekseyev, Yuriy O. Yan, Xinhua Goukassian, David A. TI Low-dose radiation affects cardiac physiology: gene networks and molecular signaling in cardiomyocytes SO AMERICAN JOURNAL OF PHYSIOLOGY-HEART AND CIRCULATORY PHYSIOLOGY LA English DT Article DE cardiac physiology; cardiomyocyte; radiation biology; gene expression molecular signaling ID ACTIVATED PROTEIN-KINASES; COMPLETE ATRIOVENTRICULAR-BLOCK; TRANSCRIPTION FACTOR GATA4; ATOMIC-BOMB SURVIVORS; INDUCED HEART-DISEASE; IONIZING-RADIATION; ENDOTHELIAL DYSFUNCTION; MYOCARDIAL-INFARCTION; EXPRESSION CHANGES; GAMMA-IRRADIATION AB There are 160,000 cancer patients worldwide treated with particle radiotherapy (RT). With the advent of proton, and high (H) charge (Z) and energy (E) HZE ionizing particle RT, the cardiovascular diseases risk estimates are uncertain. In addition, future deep space exploratory-type missions will expose humans to unknown but low doses of particle irradiation (IR). We examined molecular responses using transcriptome profiling in left ventricular murine cardiomyocytes isolated from mice that were exposed to 90 cGy, 1 GeV proton (H-1) and 15 cGy, 1 GeV/nucleon iron (Fe-56) over 28 days after exposure. Unsupervised clustering analysis of gene expression segregated samples according to the IR response and time after exposure, with Fe-56-IR showing the greatest level of gene modulation. H-1-IR showed little differential transcript modulation. Network analysis categorized the major differentially expressed genes into cell cycle, oxidative responses, and transcriptional regulation functional groups. Transcriptional networks identified key nodes regulating expression. Validation of the signal transduction network by protein analysis and gel shift assay showed that particle IR clearly regulates a long-lived signaling mechanism for ERK1/2, p38 MAPK signaling and identified NFATc4, GATA4, STAT3, and NF-kappa B as regulators of the response at specific time points. These data suggest that the molecular responses and gene expression to Fe-56-IR in cardiomyocytes are unique and long-lasting. Our study may have significant implications for the efforts of National Aeronautics and Space Administration to develop heart disease risk estimates for astronauts and for patients receiving conventional and particle RT via identification of specific HZE-IR molecular markers. C1 [Coleman, Matthew A.] Calif State Univ Sacramento, Davis Sch Med, Radiat Oncol, Sacramento, CA 95819 USA. [Coleman, Matthew A.] Lawrence Livermore Natl Lab, Livermore, CA USA. [Sasi, Sharath P.; Onufrak, Jillian; Schwab, John; Muralidharan, Sujatha; Yan, Xinhua; Goukassian, David A.] GeneSys Res Inst, Cardiovasc Res Ctr, Boston, MA USA. [Natarajan, Mohan; Manickam, Krishnan] Univ Texas Hlth Sci Ctr San Antonio, San Antonio, TX 78229 USA. [Peterson, Leif E.] Houston Methodist Res Inst, Ctr Biostat, Houston, TX USA. [Alekseyev, Yuriy O.; Goukassian, David A.] Boston Univ, Sch Med, Dept Pathol & Lab Med, Boston, MA 02215 USA. [Yan, Xinhua; Goukassian, David A.] Tufts Univ, Sch Med, Boston, MA 02111 USA. RP Goukassian, DA (reprint author), Tufts Univ, GeneSys Res Inst, Sch Med, 720 Cambridge St,CBR 422, Brighton, MA 02135 USA. EM david.goukassian@tufts.edu OI Coleman, Matthew/0000-0003-1389-4018; Peterson, Leif/0000-0002-1187-0883 FU NASA [NNX11AD22G, NCC 9-58-298]; American Heart Association (AHA) [14GRNT18860032, 10GRNT4710003]; US Department of Energy (DOE) [DE-AC52-07NA27344]; US DOE Low Dose Radiation Research Program [KP110202]; National Heart, Lung, and Blood Institute [HL-106098]; National Space Biomedical Research Institute (NSBRI) [CA02802] FX This work was supported by NASA under Grant NNX11AD22G and American Heart Association (AHA) Grant 14GRNT18860032 to D. A. Goukassian. This work was also supported in part by the US Department of Energy (DOE) under contract no. DE-AC52-07NA27344, with funding from the US DOE Low Dose Radiation Research Program Grant KP110202 to M. A. Coleman, and by AHA Grant 10GRNT4710003 and National Heart, Lung, and Blood Institute Grant HL-106098 to X. Yan. This work was also supported by National Space Biomedical Research Institute (NSBRI) Grant CA02802 through NASA NCC 9-58-298 to M. Natarajan. NR 82 TC 2 Z9 2 U1 1 U2 6 PU AMER PHYSIOLOGICAL SOC PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814 USA SN 0363-6135 EI 1522-1539 J9 AM J PHYSIOL-HEART C JI Am. J. Physiol.-Heart Circul. Physiol. PD DEC 1 PY 2015 VL 309 IS 11 BP H1947 EP H1963 DI 10.1152/ajpheart.00050.2015 PG 17 WC Cardiac & Cardiovascular Systems; Physiology; Peripheral Vascular Disease SC Cardiovascular System & Cardiology; Physiology GA CX7MR UT WOS:000365886500015 PM 26408534 ER PT J AU Bolmatov, D Zav'yalov, D Zhernenkov, M Musaev, ET Cai, YQ AF Bolmatov, Dima Zav'yalov, Dmitry Zhernenkov, Mikhail Musaev, Edvard T. Cai, Yong Q. TI Unified phonon-based approach to the thermodynamics of solid, liquid and gas states SO ANNALS OF PHYSICS LA English DT Article DE Phononic gaps; Phonon excitations; Thermodynamic limits; Thermodynamic boundary; Unified phonon theory; Phonon localisation ID IRREVERSIBLE-PROCESSES; FAST SOUND; STATISTICAL-MECHANICS; SYMMETRY-BREAKING; DYNAMICAL MODEL; HARD-SPHERES; FREE-ENERGY; FLUIDS; WATER; HEAT AB We introduce a unified approach to states of matter (solid, liquid and gas) and describe the thermodynamics of the pressure-temperature phase diagram in terms of phonon excitations. We derive the effective Hamiltonian with low-energy cutoff in two transverse phonon polarizations (phononic band gaps) by breaking the symmetry in phonon interactions. Further, we construct the statistical mechanics of states of aggregation employing the Debye approximation. The introduced formalism covers the Debye theory of solids, the phonon theory of liquids, and thermodynamic limits such as the Dulong-Petit thermodynamic limit (CV 3k(B)), the ideal gas limit (c(v) = 3/2k(B)) and the new thermodynamic limit (c(v) = 2k(B)), dubbed here the Frenkel line thermodynamic limit. We discuss the phonon propagation and localization effects in liquids above and below the Frenkel line, and explain the "fast sound" phenomenon. As a test for our theory we calculate velocity-velocity autocorrelation and pair distribution functions within the Green-Kubo formalism. We show the consistency, between dynamics of phonons and pair correlations in the framework of the unified approach. New directions towards advancements in phononic band gaps engineering, hypersound manipulation technologies and exploration of exotic behaviour of fluids relevant to geo- and planetary sciences are discussed. The presented results are equally important both for practical implications and for fundamental research. Published by Elsevier Inc. C1 [Bolmatov, Dima; Zhernenkov, Mikhail; Cai, Yong Q.] Brookhaven Natl Lab, Natl Synchrotron Light Source 2, Upton, NY 11973 USA. [Zav'yalov, Dmitry] Volgograd State Tech Univ, Volgograd 400005, Russia. [Musaev, Edvard T.] Natl Res Univ Higher, Sch Econ, Fac Math, Moscow 117312, Russia. RP Bolmatov, D (reprint author), Brookhaven Natl Lab, Natl Synchrotron Light Source 2, Upton, NY 11973 USA. EM d.bolmatov@gmail.com RI Zavyalov, Dmitriy/N-7609-2015; Musaev, Edvard/E-4531-2017; OI Musaev, Edvard/0000-0002-1796-1794; Zhernenkov, Mikhail/0000-0003-3604-0672 FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC00112704] FX The work at 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-SC00112704. We are indebted to Stefano Ruffo, Yang Zhang, Salvatore Torquato, Oleg Kogan, Ivar Martin, Yugang Zhang and Oleg Gang for stimulating discussions. NR 64 TC 6 Z9 6 U1 4 U2 19 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0003-4916 EI 1096-035X J9 ANN PHYS-NEW YORK JI Ann. Phys. PD DEC PY 2015 VL 363 BP 221 EP 242 DI 10.1016/j.aop.2015.09.018 PG 22 WC Physics, Multidisciplinary SC Physics GA CX6TP UT WOS:000365834900013 ER PT J AU Zhang, LB Yan, LS Wang, ZM Laskar, DD Swita, MS Cort, JR Yang, B AF Zhang, Libing Yan, Lishi Wang, Zheming Laskar, Dhrubojyoti D. Swita, Marie S. Cort, John R. Yang, Bin TI Characterization of lignin derived from water-only and dilute acid flowthrough pretreatment of poplar wood at elevated temperatures SO BIOTECHNOLOGY FOR BIOFUELS LA English DT Article DE Hot water; Dilute acid; Flowthrough pretreatment; Poplar; Lignin; Characterization ID COMPRESSED-HOT-WATER; CORN STOVER; ENZYMATIC DIGESTIBILITY; BIOFUEL PRODUCTION; CELLULOSE; SWITCHGRASS; SUGAR; HEMICELLULOSE; BIOSYNTHESIS; DEGRADATION AB Background: Flowthrough pretreatment of biomass is a critical step in lignin valorization via conversion of lignin derivatives to high-value products, a function vital to the economic efficiency of biorefinery plants. Comprehensive understanding of lignin behaviors and solubilization chemistry in aqueous pretreatment such as water-only and dilute acid flowthrough pretreatment is of fundamental importance to achieve the goal of providing flexible platform for lignin utilization. Results: In this study, the effects of flowthrough pretreatment conditions on lignin separation from poplar wood were reported as well as the characteristics of three sub-sets of lignin produced from the pretreatment, including residual lignin in pretreated solid residues (ReL), recovered insoluble lignin in pretreated liquid (RISL), and recovered soluble lignin in pretreatment liquid (RSL). Both the water-only and 0.05 % (w/w) sulfuric acid pretreatments were performed at temperatures from 160 to 270 degrees C on poplar wood in a flowthrough reactor system for 2-10 min. Results showed that water-only flowthrough pretreatment primarily removed syringyl (S units). Increased temperature and/or the addition of sulfuric acid enhanced the removal of guaiacyl (G units) compared to water-only pretreatments at lower temperatures, resulting in nearly complete removal of lignin from the biomass. Results also suggested that more RISL was recovered than ReL and RSL in both dilute acid and water-only flowthrough pretreatments at elevated temperatures. NMR spectra of the RISL revealed significant beta-O-4 cleavage, alpha-beta deoxygenation to form cinnamyl-like end groups, and slight beta-5 repolymerization in both water-only and dilute acid flowthrough pretreatments. Conclusions: Elevated temperature and/or dilute acid greatly enhanced lignin removal to almost 100 % by improving G unit removal besides S unit removal in flowthrough system. Only mild lignin structural modification was caused by flowthrough pretreatment. A lignin transformation pathway was proposed to explain the complexity of the lignin structural changes during hot water and dilute acid flowthrough pretreatment. C1 [Zhang, Libing; Yan, Lishi; Laskar, Dhrubojyoti D.; Yang, Bin] Washington State Univ, Dept Biol Syst Engn, Bioprod Sci & Engn Lab, Richland, WA 99354 USA. [Wang, Zheming; Cort, John R.] Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99354 USA. [Swita, Marie S.] Pacific NW Natl Lab, Bioprod Sci & Engn Lab, Richland, WA 99354 USA. RP Cort, JR (reprint author), Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99354 USA. EM John.Cort@pnnl.gov; binyang@tricity.wsu.edu RI Wang, Zheming/E-8244-2010 OI Wang, Zheming/0000-0002-1986-4357 FU DARPA Young Faculty Award [N66001-11-1-414]; DOE-EERE Award [DE-EE0006112]; Sun Grant-DOT Award [T0013G-A-Task 8]; National Science Foundation Award [1258504]; Department of Energy's Office of Biological and Environmental Research (BER) FX We are grateful to the DARPA Young Faculty Award # N66001-11-1-414, DOE-EERE Award # DE-EE0006112, The Sun Grant-DOT Award # T0013G-A-Task 8, and the National Science Foundation Award # 1258504 for funding this research. Part of this work was conducted at the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility located at the Pacific Northwest National Laboratory (PNNL) and sponsored by the Department of Energy's Office of Biological and Environmental Research (BER). The authors would especially like to thank Drs. Yunqiao Pu and Art J. Ragauskas from Georgia Institute of Technology for GPC support. We also thank Dr. Hongfei Wang and Ms. Marie S. Swita for insightful discussions. NR 49 TC 2 Z9 2 U1 3 U2 29 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1754-6834 J9 BIOTECHNOL BIOFUELS JI Biotechnol. Biofuels PD DEC 1 PY 2015 VL 8 AR 203 DI 10.1186/s13068-015-0377-x PG 14 WC Biotechnology & Applied Microbiology; Energy & Fuels SC Biotechnology & Applied Microbiology; Energy & Fuels GA CX6AY UT WOS:000365784800006 PM 26677398 ER PT J AU Cavanaugh, NR Gershunov, A AF Cavanaugh, Nicholas R. Gershunov, Alexander TI Probabilistic tail dependence of intense precipitation on spatiotemporal scale in observations, reanalyses, and GCMs SO CLIMATE DYNAMICS LA English DT Article DE Daily intense precipitation; Extremes; Heavy tails; Extreme value theory; Scale dependence ID STOCHASTIC WEATHER GENERATORS AB Daily precipitation variability as observed from weather stations is heavy tailed at most locations around the world. It is thought that diversity in precipitation-causing weather events is fundamental in producing heavy-tailed distributions, and it arises from theory that at least one of the precipitation types contributing to a heavy-tailed climatological record must also be heavy-tailed. Precipitation is a multi-scale phenomenon with a rich spatial structure and short decorrelation length and timescales; the spatiotemporal scale at which precipitation is observed is thus an important factor when considering its statistics and extremes. In this study, we examine the spatiotemporal scaling behavior of intense precipitation from point-scale to large grid cells and from 1 day to 4 weeks over the entire globe. We go on to validate the current generation of historically-forced climate models and reanalyses against observational data at consistent spatial scales. Our results demonstrate that the prevalence and magnitude of heavy tails in observations decrease when moving to lower spatiotemporal resolutions, as is consistent with stochastic theory. Reanalyses and climate models generally reproduce large, synoptic scale distribution classifications, but struggle to reproduce the statistics in regions that are strongly affected by mesoscale phenomena. We discuss these results in relation to physically consistent atmospheric regimes. We conclude with a global view of precipitation distribution type at daily resolution as calculated from the best-performing reanalysis, the Climate Forecast System Reanalysis. C1 [Cavanaugh, Nicholas R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Cavanaugh, Nicholas R.; Gershunov, Alexander] Univ Calif San Diego, Scripps Inst Oceanog, Climate Atmospher Sci & Phys Oceanog Div, La Jolla, CA 92093 USA. RP Cavanaugh, NR (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, 1 Cyclotron Rd,Mail Stop 74R316C, Berkeley, CA 94720 USA. EM nrcavanaugh@lbl.gov FU NSF [OCE0960770, OCE1419306]; DOI via the Southwest Climate Science Center; NOAA via the RISA program through the California and Nevada Applications Center; California Energy Commission PIER Program FX Cavanaugh was supported in part by NSF grants OCE0960770 and OCE1419306. A portion of the computing was accomplished using Yellowstone resources available through NCAR/UCAR. We thank Mary Tyree for archiving CMIP5 data sets and making them available locally. This work contributes to research supported by DOI via the Southwest Climate Science Center, by NOAA via the RISA program through the California and Nevada Applications Center, and by the California Energy Commission PIER Program. We acknowledge the World Climate Research Programme's Working Group on Coupled Modelling, which is responsible for CMIP, and we thank the climate modeling groups who produced the models listed in Table 2 for 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 led development of software infrastructure in partnership with the Global Organization for Earth System Science Portals. Gridded observational data as well as individual results for reanalyses and climate models discussed in this paper can be made available by request. Finally, we thank two anonymous reviewers whose comments helped improve the quality of the manuscript. NR 34 TC 0 Z9 0 U1 0 U2 9 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0930-7575 EI 1432-0894 J9 CLIM DYNAM JI Clim. Dyn. PD DEC PY 2015 VL 45 IS 11-12 BP 2965 EP 2975 DI 10.1007/s00382-015-2517-1 PG 11 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA CX0WU UT WOS:000365418900001 ER PT J AU Liu, W Lu, J Leung, LR Xie, SP Liu, ZY Zhu, J AF Liu, Wei Lu, Jian Leung, L. Ruby Xie, Shang-Ping Liu, Zhengyu Zhu, Jiang TI The de-correlation of westerly winds and westerly-wind stress over the Southern Ocean during the Last Glacial Maximum SO CLIMATE DYNAMICS LA English DT Article DE Southern Westerly Winds; Westerly wind stress; Antarctic sea ice; LGM; PMIP3/CMIP5 ID SEA-ICE; HYDROLOGICAL CYCLE; MODEL SIMULATIONS; CLIMATE; RECORDS; POLLEN; ANTARCTICA; VEGETATION; PACIFIC; AMERICA AB Motivated by indications from paleo-evidence, this paper investigates the changes of the Southern Westerly Winds (SWW) and westerly-wind stress between the Last Glacial Maximum (LGM) and pre-industrial in the PMIP3/CMIP5 simulations, highlighting the role of Antarctic sea ice in modulating the wind effect on ocean. Particularly, a de-correlation occurs between the changes in SWW and westerly-wind stress, caused primarily by an equatorward expansion of winter Antarctic sea ice that undermines the efficacy of wind in generating stress over the liquid ocean. Such de-correlation may reflect the LGM condition in reality, in view of the fact that the model which simulates this condition has most fidelity in simulating modern SWW and Antarctic sea ice. Therein two models stand out for their agreements with paleo-evidence regarding the change of SWW and the westerly-wind stress. They simulate strengthened and poleward-migrated LGM SWW in the atmosphere, consistent with the indications from dust records. Whilst in the ocean, they well capture an equatorward-shifted pattern of the observed oceanic front shift, with most pronounced equatorward-shifted westerly wind stress during the LGM. C1 [Liu, Wei; Xie, Shang-Ping] Univ Calif San Diego, Scripps Inst Oceanog, CASPO, La Jolla, CA 92093 USA. [Liu, Wei; Lu, Jian; Leung, L. Ruby] Pacific NW Natl Lab, Richland, WA 99352 USA. [Liu, Zhengyu; Zhu, Jiang] Univ Wisconsin, Nelson Ctr Climat Res, Dept Atmospher & Ocean Sci, Madison, WI USA. [Liu, Zhengyu] Peking Univ, Sch Phys, LaCOAS, Beijing 100871, Peoples R China. RP Liu, W (reprint author), Univ Calif San Diego, Scripps Inst Oceanog, CASPO, 9500 Gilman Dr, La Jolla, CA 92093 USA. EM wel109@ucsd.edu RI Xie, Shang-Ping/C-1254-2009; OI Xie, Shang-Ping/0000-0002-3676-1325; Zhu, Jiang/0000-0002-0908-5130 FU NSF [AGS-1249145]; Office of Science of the US Department of Energy as part of the Regional and Global Climate Modeling program; DOE [DE-AC05-76RL01830] FX This work is primarily supported by NSF AGS-1249145. Jian Lu and L. Ruby Leung were partly supported by the Office of Science of the US Department of Energy as part of the Regional and Global Climate Modeling program. The Pacific Northwest National Laboratory is operated for DOE by Battelle Memorial Institute under contract DE-AC05-76RL01830. NR 46 TC 3 Z9 3 U1 3 U2 11 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0930-7575 EI 1432-0894 J9 CLIM DYNAM JI Clim. Dyn. PD DEC PY 2015 VL 45 IS 11-12 BP 3157 EP 3168 DI 10.1007/s00382-015-2530-4 PG 12 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA CX0WU UT WOS:000365418900013 ER PT J AU Lu, YQ Jin, JM Kueppers, LM AF Lu, Yaqiong Jin, Jiming Kueppers, Lara M. TI Crop growth and irrigation interact to influence surface fluxes in a regional climate-cropland model (WRF3.3-CLM4crop) SO CLIMATE DYNAMICS LA English DT Article DE WRF; CLM; Dynamic crop growth; Irrigation; Climate; Surface energy flux ID CENTRAL UNITED-STATES; LAND-USE CHANGE; ATMOSPHERIC RESPONSE; STOMATAL CONDUCTANCE; CANOPY TEMPERATURE; SEED-GERMINATION; BOUNDARY-LAYER; PART II; IMPACT; PRECIPITATION AB In this study, we coupled Version 4.0 of the Community Land Model that includes crop growth and management (CLM4crop) into the Weather Research and Forecasting (WRF) model Version 3.3 to better represent interactions between climate and agriculture. We evaluated the performance of the coupled model (WRF3.3-CLM4crop) by comparing simulated crop growth and surface climate to multiple observational datasets across the continental United States. The results showed that although the model with dynamic crop growth overestimated leaf area index (LAI) and growing season length, interannual variability in peak LAI was improved relative to a model with prescribed crop LAI and growth period, which has no environmental sensitivity. Adding irrigation largely improved daily minimum temperature but the RMSE is still higher over irrigated land than non-irrigated land. Improvements in climate variables were limited by an overall model dry bias. However, with addition of an irrigation scheme, soil moisture and surface energy flux partitioning were largely improved at irrigated sites. Irrigation effects were sensitive to crop growth: the case with prescribed crop growth underestimated irrigation water use and effects on temperature and overestimated soil evaporation relative to the case with dynamic crop growth in moderately irrigated regions. We conclude that studies examining irrigation effects on weather and climate using coupled climate-land surface models should include dynamic crop growth and realistic irrigation schemes to better capture land surface effects in agricultural regions. C1 [Lu, Yaqiong; Kueppers, Lara M.] Univ Calif Merced, Sierra Nevada Res Inst, Merced, CA 95348 USA. [Jin, Jiming] Utah State Univ, Dept Watershed Sci, Logan, UT 84322 USA. [Jin, Jiming] Utah State Univ, Dept Plants Soil & Climate, Logan, UT 84322 USA. [Kueppers, Lara M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Lu, YQ (reprint author), Univ Calif Merced, Sierra Nevada Res Inst, Merced, CA 95348 USA. EM ylu9@ucmerced.edu RI Kueppers, Lara/M-8323-2013 OI Kueppers, Lara/0000-0002-8134-3579 FU UC Merced; USDA AFRI [2012-68002-19872] FX We thank for Samuel Levis for providing the CLM4CNCrop code, Marc Fisher for providing the ARM SGP Main site LAI observations, UC Merced for summer GRC fellowships, and an anonymous reviewer for helpful comments. The work was also supported by USDA AFRI (Award Number 2012-68002-19872). NR 81 TC 8 Z9 8 U1 4 U2 23 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0930-7575 EI 1432-0894 J9 CLIM DYNAM JI Clim. Dyn. PD DEC PY 2015 VL 45 IS 11-12 BP 3347 EP 3363 DI 10.1007/s00382-015-2543-z PG 17 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA CX0WU UT WOS:000365418900024 ER PT J AU Wright, DB Knutson, TR Smith, JA AF Wright, Daniel B. Knutson, Thomas R. Smith, James A. TI Regional climate model projections of rainfall from US landfalling tropical cyclones SO CLIMATE DYNAMICS LA English DT Article DE Tropical cyclones; Extreme rainfall; Floods; Climate impacts; Climate modeling; Dynamical downscaling ID STOCHASTIC STORM TRANSPOSITION; EXTRATROPICAL TRANSITION; UNITED-STATES; INTENSE PRECIPITATION; CMIP5 MODELS; PART I; FREQUENCY; TRMM; HURRICANES; EVOLUTION AB The eastern United States is vulnerable to flooding from tropical cyclone rainfall. Understanding how both the frequency and intensity of this rainfall will change in the future climate is a major challenge. One promising approach is the dynamical downscaling of relatively coarse general circulation model results using higher-resolution regional climate models (RCMs). In this paper, we examine the frequency of landfalling tropical cyclones and associated rainfall properties over the eastern United States using Zetac, an 18-km resolution RCM designed for modeling Atlantic tropical cyclone activity. Simulations of 1980-2006 tropical cyclone frequency and rainfall intensity for the months of August-October are compared against results from previous studies and observation-based datasets. The 1980-2006 control simulations are then compared against results from three future climate scenarios: CMIP3/A1B (late twenty-first century) and CMIP5/RCP4.5 (early and late twenty-first century). In CMIP5 early and late twenty-first century projections, the frequency of occurrence of post-landfall tropical cyclones shows little net change over much of the eastern U.S. despite a decrease in frequency over the ocean. This reflects a greater landfalling fraction in CMIP5 projections, which is not seen in CMIP3-based projections. Average tropical cyclone rain rates over land within 500 km of the storm center increase by 8-17 % in the future climate projections relative to control. This is at least as much as expected from the Clausius-Clapeyron relation, which links a warmer atmosphere to greater atmospheric water vapor content. Over land, the percent enhancement of area-averaged rain rates from a given tropical cyclone in the warmer climate is greater for larger averaging radius (300-500 km) than near the storm, particularly for the CMIP3 projections. Although this study does not focus on attribution, the findings are broadly consistent with historical tropical cyclone rainfall changes documented in a recent observational study. The results may have important implications for future flood risks from tropical cyclones. C1 [Wright, Daniel B.] NASA Hydrol Sci, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. [Wright, Daniel B.] Oak Ridge Associated Univ, Oak Ridge, TN 37831 USA. [Knutson, Thomas R.] NOAA, Geophys Fluid Dynam Lab, Princeton, NJ 08542 USA. [Smith, James A.] Princeton Univ, Dept Civil & Environm Engn, Princeton, NJ 08544 USA. RP Wright, DB (reprint author), NASA Hydrol Sci, Goddard Space Flight Ctr, 8800 Greenbelt Rd, Greenbelt, MD 20771 USA. EM daniel.b.wright@nasa.gov FU Willis Research Network; National Oceanic and Atmospheric Administration Cooperative Institute for Climate Sciences [NOAA CICS NA08OAR4320752]; National Science Foundation [CBET-1058027]; NASA Postdoctoral Program FX This work was partially funded by the Willis Research Network, the National Oceanic and Atmospheric Administration Cooperative Institute for Climate Sciences (Grant NOAA CICS NA08OAR4320752), and the the National Science Foundation (Grant CBET-1058027) and the NASA Postdoctoral Program. We would like to thank Joseph Sirutis of NOAA GFDL for providing climate model data, Joshua Roundy of Princeton University and NASA GSFC for preparing the NLDAS rainfall data, and Timothy Marchok and Baoqiang Xiang of NOAA GFDL for their thoughtful comments. NR 64 TC 1 Z9 1 U1 5 U2 20 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0930-7575 EI 1432-0894 J9 CLIM DYNAM JI Clim. Dyn. PD DEC PY 2015 VL 45 IS 11-12 BP 3365 EP 3379 DI 10.1007/s00382-015-2544-y PG 15 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA CX0WU UT WOS:000365418900025 ER PT J AU Huggel, C Stone, D Eicken, H Hansen, G AF Huggel, Christian Stone, Daithi Eicken, Hajo Hansen, Gerrit TI Potential and limitations of the attribution of climate change impacts for informing loss and damage discussions and policies SO CLIMATIC CHANGE LA English DT Article ID AUSTRALIAN BUSHFIRE 1925-2009; BUILDING DAMAGE; SOUTH-AMERICA; WEATHER EVENT; POPULATION; FATALITIES; COLOMBIA; LOCATION; EXTREMES; PERMAFROST AB The issue of climate related loss and damage (L&D) has re-emerged and gained significant traction in international climate policy in recent years. However, many aspects remain unclear, including how aspects of liability and compensation in relation with L&D will be treated under the UNFCCC, human rights and environmental law. Furthermore, the type of scientific evidence required to link climate change impacts for each of these L&D mechanisms needs to be clarified. Here we analyze to which degree different types of scientific evidence can inform L&D discussions and policies. We distinguish between (i) L&D observation, (ii) understanding causation, and (iii) linking L&D to anthropogenic emissions through attribution studies. We draw on three case studies from Australia, Colombia and Alaska to demonstrate the relevance of the different types of evidence. We then discuss the potential and limitations of these types of scientific evidence, in particular attribution, for informing current L&D discussions and policies. Attribution (iii) sets the highest bar, but also provides the most complete set of information to support adaptation, risk reduction and L&D policies. However, rather than suggesting that attribution is a necessary requirement for L&D policies we want to highlight its potential for facilitating a more thematically structured, and thus hopefully a more constructive, policy and justice discussion. C1 [Huggel, Christian] Univ Zurich, Dept Geog, CH-8057 Zurich, Switzerland. [Stone, Daithi] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Eicken, Hajo] Univ Alaska Fairbanks, Int Arctic Res Ctr, Fairbanks, AK 99775 USA. [Hansen, Gerrit] Potsdam Inst Climate Impact Res, Potsdam, Germany. RP Huggel, C (reprint author), Univ Zurich, Dept Geog, Winterthurerstr 190, CH-8057 Zurich, Switzerland. EM christian.huggel@geo.uzh.ch RI Eicken, Hajo/M-6901-2016; OI Stone, Daithi/0000-0002-2518-100X FU Executive Board; Faculty of Science of the University of Zurich; U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research's Regional and Global Climate Modelling Program [DE-AC02-05CH11231]; German Federal Ministry of Education and Research FX The authors would like to thank Ivo Wallimann-Helmer for discussions which improved the focus of the paper. Collaboration and discussions with colleagues of the IPCC WGII AR5, chapter 18, have set an important basis for this paper. CH was supported by strategic funds by the Executive Board and Faculty of Science of the University of Zurich. DAS was supported by the U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research's Regional and Global Climate Modelling Program under contract number DE-AC02-05CH11231. GH was supported by the German Federal Ministry of Education and Research. We appreciate the insightful comments by Mike Hulme and two anonymous reviewers as well as those of the guest editors, Dominic Roser and Markus Ohndorf, which helped restructuring and improving the paper. We also extend thanks to Andre Wehrli for discussions on loss and damage. NR 68 TC 4 Z9 5 U1 2 U2 10 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0165-0009 EI 1573-1480 J9 CLIMATIC CHANGE JI Clim. Change PD DEC PY 2015 VL 133 IS 3 BP 453 EP 467 DI 10.1007/s10584-015-1441-z PG 15 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA CX2HW UT WOS:000365518700010 ER PT J AU Calvin, K Rose, S Wise, M McJeon, H Clarke, L Edmonds, J AF Calvin, Katherine Rose, Steven Wise, Marshall McJeon, Haewon Clarke, Leon Edmonds, Jae TI Global climate, energy, and economic implications of international energy offsets programs SO CLIMATIC CHANGE LA English DT Article ID CLEAN DEVELOPMENT MECHANISM; TECHNOLOGY-TRANSFER; MITIGATION; POWER AB We demonstrate and apply methods for assessing global, system-scale effects on energy and greenhouse emissions of offset programs that explicitly consider the rules by which energy-based offset credits are awarded. We compare our approach to idealized calculations in which all regions, including those without mitigation obligations, face a common carbon tax. We find a substantial gap between potential reductions in emissions and those realized in a suite of hypothetical offset assignment protocols as well as between offset creation and system-scales emissions mitigation, even when project-scale additionality and compliance issues are absent and baselines are known with certainty. In the worst cases, seemingly reasonable rules were counterproductive-i.e. increased global carbon emissions, despite strictly meeting additionality and baseline requirements. But, even when we modified the rules for creating offsets to reflect more closely implementation practices, there remained a large gap between potential and realized mitigation. This difference is systemic and traces to the basic nature of offsets. Offsets subsidize the deployment of non-emitting technologies instead of penalizing the use of emitting technologies. As a consequence, offsets lower the cost of energy, and encourage greater use energy rather than its conservation. Thus, even in well-crafted programs, it is impossible to capture the full economic potential because the program lacks a means by which to engage energy conservation. We demonstrate that while offsets programs reduce the cost to regions with emissions caps, they may achieve this result at the expense of reduced global emissions mitigation. C1 [Calvin, Katherine; Wise, Marshall; McJeon, Haewon; Clarke, Leon; Edmonds, Jae] Pacific NW Natl Lab, Joint Global Change Res Inst, College Pk, MD USA. [Rose, Steven] Elect Power Res Inst, Washington, DC USA. RP Edmonds, J (reprint author), Pacific NW Natl Lab, Joint Global Change Res Inst, College Pk, MD USA. EM jae@pnnl.gov FU Electric Power Research Institute FX The authors are grateful for research support provided by Electric Power Research Institute. The authors also appreciate helpful comments on an earlier draft of this paper by David Victor and Michael Wara and by two anonymous reviewers. The views and opinions expressed in this paper are those of the authors alone. NR 22 TC 2 Z9 2 U1 2 U2 7 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0165-0009 EI 1573-1480 J9 CLIMATIC CHANGE JI Clim. Change PD DEC PY 2015 VL 133 IS 4 BP 583 EP 596 DI 10.1007/s10584-015-1482-3 PG 14 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA CX2IB UT WOS:000365519200003 ER PT J AU Hao, GC Zhuang, QL Zhu, Q He, YJ Jin, ZO Shen, WJ AF Hao, Guangcun Zhuang, Qianlai Zhu, Qing He, Yujie Jin, Zhenong Shen, Weijun TI Quantifying microbial ecophysiological effects on the carbon fluxes of forest ecosystems over the conterminous United States SO CLIMATIC CHANGE LA English DT Article ID NET PRIMARY PRODUCTION; SOIL ORGANIC-CARBON; EARTH SYSTEM MODELS; TERRESTRIAL ECOSYSTEMS; COMMUNITY STRUCTURE; AMERIFLUX DATA; BIOGEOCHEMICAL MODEL; GLOBAL OPTIMIZATION; THERMAL ADAPTATION; CLIMATE-CHANGE AB There is a pressing need to develop earth system models (ESMs), in which ecosystem processes are adequately represented, to quantify carbon-climate feedbacks. In particular, explicit representation of the effects of microbial activities on soil organic carbon decomposition has been slow in ESM development. Here we revised an existing Q(10)-based heterotrophic respiration (R-H) algorithm of a large-scale biogeochemical model, the Terrestrial Ecosystem Model (TEM), by incorporating the algorithms of Dual Arrhenius and Michaelis-Menten kinetics and microbial-enzyme interactions. The microbial physiology enabled model (MIC-TEM) was then applied to quantify historical and future carbon dynamics of forest ecosystems in the conterminous United States. Simulations indicate that warming has a weaker positive effect on R-H than that traditional Q(10) model has. Our results demonstrate that MIC-TEM is superior to traditional TEM in reproducing historical carbon dynamics. More importantly, the future trend of soil carbon accumulation simulated with MIC-TEM is more reasonable than TEM did and is generally consistent with soil warming experimental studies. The revised model estimates that regional GPP is 2.48 Pg C year(-1) (2.02 to 3.03 Pg C year(-1)) and NEP is 0.10 Pg C year(-1) (-0.20 to 0.32 Pg C year(-1)) during 2000-2005. Both models predict that the conterminous United States forest ecosystems are carbon sinks under two future climate scenarios during the 21st century. This study suggests that terrestrial ecosystem models should explicitly consider the microbial ecophysiological effects on soil carbon decomposition to adequately quantify forest ecosystem carbon fluxes at regional scales. C1 [Hao, Guangcun; Shen, Weijun] Chinese Acad Sci, South China Bot Garden, Key Lab Vegetat Restorat & Management Degraded Ec, Guangzhou 510650, Guangdong, Peoples R China. [Hao, Guangcun; Zhuang, Qianlai; Zhu, Qing; He, Yujie; Jin, Zhenong] Purdue Univ, Dept Earth Atmospher & Planetary Sci, W Lafayette, IN 47907 USA. [Zhuang, Qianlai] Purdue Univ, Dept Agron, W Lafayette, IN 47907 USA. [Zhu, Qing] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Zhuang, QL (reprint author), Purdue Univ, Dept Earth Atmospher & Planetary Sci, W Lafayette, IN 47907 USA. EM qzhuang@purdue.edu RI Shen, Weijun/G-2942-2010; ZHU, QING/G-2433-2015; He, Yujie/E-2514-2017 OI Shen, Weijun/0000-0001-7574-8839; ZHU, QING/0000-0003-2441-944X; He, Yujie/0000-0001-8261-5399 FU NSF [0919331, NSF-0630319]; NASA Land Use and Land Cover Change program [NASA-NNX09AI26G]; Department of Energy [DE-FG02-08ER64599]; NF Division of Information & Intelligent Systems [NSF-1028291] FX We acknowledge the AmeriFlux community to provide the eddy flux data. This research is supported with projects funded to Q.Z., including NSF projects (DEB-#0919331; NSF-0630319), the NASA Land Use and Land Cover Change program (NASA-NNX09AI26G), Department of Energy (DE-FG02-08ER64599), and the NF Division of Information & Intelligent Systems (NSF-1028291). NR 48 TC 0 Z9 0 U1 6 U2 17 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0165-0009 EI 1573-1480 J9 CLIMATIC CHANGE JI Clim. Change PD DEC PY 2015 VL 133 IS 4 BP 695 EP 708 DI 10.1007/s10584-015-1490-3 PG 14 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA CX2IB UT WOS:000365519200011 ER PT J AU Akinosho, H Rydzak, T Borole, A Ragauskas, A Close, D AF Akinosho, Hannah Rydzak, Thomas Borole, Abhijeet Ragauskas, Arthur Close, Dan TI Toxicological challenges to microbial bioethanol production and strategies for improved tolerance SO ECOTOXICOLOGY LA English DT Article DE Toxicology; Biofuels; Bioethanol; Fermentation; Process engineering ID ETHANOLOGENIC ESCHERICHIA-COLI; CHAIN ORGANIC-ACIDS; SACCHAROMYCES-CEREVISIAE; CLOSTRIDIUM-THERMOCELLUM; FERMENTATION INHIBITORS; SOLVENT TOLERANCE; HEAT-SHOCK; LIGNOCELLULOSIC BIOMASS; ALDEHYDE DEHYDROGENASE; ALCOHOL-DEHYDROGENASE AB Bioethanol production output has increased steadily over the last two decades and is now beginning to become competitive with traditional liquid transportation fuels due to advances in engineering, the identification of new production host organisms, and the development of novel biodesign strategies. A significant portion of these efforts has been dedicated to mitigating the toxicological challenges encountered across the bioethanol production process. From the release of potentially cytotoxic or inhibitory compounds from input feedstocks, through the metabolic co-synthesis of ethanol and potentially detrimental byproducts, and to the potential cytotoxicity of ethanol itself, each stage of bioethanol production requires the application of genetic or engineering controls that ensure the host organisms remain healthy and productive to meet the necessary economies required for large scale production. In addition, as production levels continue to increase, there is an escalating focus on the detoxification of the resulting waste streams to minimize their environmental impact. This review will present the major toxicological challenges encountered throughout each stage of the bioethanol production process and the commonly employed strategies for reducing or eliminating potential toxic effects. C1 [Akinosho, Hannah; Ragauskas, Arthur] Georgia Inst Technol, Renewable BioProd Inst, Atlanta, GA 30332 USA. [Akinosho, Hannah; Rydzak, Thomas; Ragauskas, Arthur] Oak Ridge Natl Lab, BioEnergy Sci Ctr, Oak Ridge, TN 37831 USA. [Rydzak, Thomas; Borole, Abhijeet; Close, Dan] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. [Borole, Abhijeet; Ragauskas, Arthur] Univ Tennessee, Dept Biomol & Chem Engn, Knoxville, TN USA. [Borole, Abhijeet] Univ Tennessee, Bredesen Ctr Interdisciplinary Res & Educ, Knoxville, TN USA. RP Close, D (reprint author), Oak Ridge Natl Lab, Biosci Div, POB 2008,MS6342, Oak Ridge, TN 37831 USA. EM closedm@ornl.gov RI Close, Dan/A-4417-2012; OI Rydzak, Thomas/0000-0002-5176-3222; Borole, Abhijeet/0000-0001-8423-811X; Ragauskas, Arthur/0000-0002-3536-554X FU Georgia Institute of Technology, Renewable BioProducts Institute Paper Science and Technology Fellowship; Oak Ridge National Laboratory Laboratory Directed Research and Development grant; Bioenergy Science Center (BESC), U.S. Department of Energy Bioenergy Research Center - Office of Biological and Environmental Research in the DOE Office of Science; U.S. Government [DE-AC05-00OR22725] FX Funding for this review was provided by the Georgia Institute of Technology, Renewable BioProducts Institute Paper Science and Technology Fellowship and an Oak Ridge National Laboratory Laboratory Directed Research and Development grant. Additional funding was provided by the Bioenergy Science Center (BESC), which is a U.S. Department of Energy Bioenergy Research Center supported by the Office of Biological and Environmental Research in the DOE Office of Science. This manuscript has been authored by a contractor of the U.S. Government under contract DE-AC05-00OR22725. NR 141 TC 1 Z9 1 U1 8 U2 27 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0963-9292 EI 1573-3017 J9 ECOTOXICOLOGY JI Ecotoxicology PD DEC PY 2015 VL 24 IS 10 SI SI BP 2156 EP 2174 DI 10.1007/s10646-015-1543-4 PG 19 WC Ecology; Environmental Sciences; Toxicology SC Environmental Sciences & Ecology; Toxicology GA CX5QV UT WOS:000365758200014 PM 26423392 ER PT J AU Basnyat, P Sopori, B Devayajanam, S Shet, S Binns, J Appel, J Ravindra, NM AF Basnyat, Prakash Sopori, Bhushan Devayajanam, Srinivas Shet, Sudhakar Binns, Jeff Appel, Jesse Ravindra, Nuggehalli M. TI Experimental study to separate surface and bulk contributions of light-induced degradation in crystalline silicon solar cells SO EMERGING MATERIALS RESEARCH LA English DT Article DE annealing; degradation; interface ID SI; LIFETIME; PASSIVATION AB In this paper, investigations toward understanding the bulk and surface components of light-induced degradation (LID) in low-iron crystalline silicon (Si) solar cells are explored. The bulk effects, arising from boron-oxygen defects, are determined by comparing degradation of cell parameters and their thermal recovery, with that of the minority-carrier lifetime (tau) in sister wafers. It is found that the lifetime of wafer, t, is recovered fully after annealing, but cell efficiency is recovered partially. It is also shown that cells having SiN:H coating experience a surface degradation (ascribed to surface recombination). The surface LID is seen as an increase in the q/2kT component of the dark saturation current (J(02)). The surface LID does not recover fully upon annealing and is attributed to degradation linked to the SiN:H-Si interface. This behavior is also exhibited by multi-crystalline silicon cells that have very low oxygen content and do not show any bulk degradation. C1 [Basnyat, Prakash; Sopori, Bhushan; Devayajanam, Srinivas; Shet, Sudhakar] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Basnyat, Prakash; Devayajanam, Srinivas; Shet, Sudhakar; Ravindra, Nuggehalli M.] New Jersey Inst Technol, Newark, NJ 07102 USA. [Binns, Jeff] SunEdison, Portland, OR USA. [Appel, Jesse] SunEdison, St Peters, MO USA. RP Basnyat, P (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM bhushan.sopori@nrel.gov FU US Department of Energy [DE-AC36-08GO28308]; National Renewable Energy Laboratory FX This work was supported by the US Department of Energy under contract number DE-AC36-08GO28308 with National Renewable Energy Laboratory. NR 28 TC 3 Z9 4 U1 2 U2 11 PU ICE PUBLISHING PI WESTMINISTER PA INST CIVIL ENGINEERS, 1 GREAT GEORGE ST, WESTMINISTER SW 1P 3AA, ENGLAND SN 2046-0147 EI 2046-0155 J9 EMERG MATER RES JI Emerg. Mater. Res. PD DEC PY 2015 VL 4 IS 2 BP 239 EP 246 DI 10.1680/emr.15.00041 PG 8 WC Materials Science, Multidisciplinary SC Materials Science GA CX5DA UT WOS:000365720600011 ER PT J AU Yang, HC Donovan, SM Young, SJ Greenblatt, JB Desroches, LB AF Yang, Hung-Chia Donovan, Sally M. Young, Scott J. Greenblatt, Jeffery B. Desroches, Louis-Benoit TI Assessment of household appliance surveys collected with Amazon Mechanical Turk SO ENERGY EFFICIENCY LA English DT Article DE Appliances; Surveys; Amazon Mechanical Turk; RECS; Post-stratification weighting ID QUALITY AB Energy researchers need data on residential appliances to make effective recommendations for reducing energy consumption. For some products, however, traditional data sources do not have sufficient detail. Online surveys can provide a less expensive alternative for data collection, but the accuracy of these surveys is still unclear. Here, we compare the results of Amazon Mechanical Turk online surveys of refrigerators, freezers, televisions, and ceiling fans to the nationwide Residential Energy Consumption Survey (RECS) deployed by the US Energy Information Administration. To account for differences in demographic distributions between the online survey results and the general population, we weighted the results using standard cell weighting and raking techniques, as well as a combination of these, termed "hybrid." The weighted results gave a distribution of product ownership that was reasonably close to RECS, albeit with small, statistically significant differences in some cases. The cell weighting method provided a slightly better agreement with RECS than the other two approaches. We recommend online surveys as an efficient and cost-effective way of gathering in-home use data on appliances that are not adequately covered by existing data sources. C1 [Yang, Hung-Chia; Young, Scott J.; Greenblatt, Jeffery B.; Desroches, Louis-Benoit] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Yang, HC (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, One Cyclotron Rd, Berkeley, CA 94720 USA. EM hcyang@lbl.gov FU US Department of Energy, Building Technologies Office FX Bereket Beraki, Sarah K. Price, Stacy Pratt, and Henry Willem provided an invaluable contribution to this project by managing the collection of Amazon Mechanical Turk data. Andrea Alstone, Mia Forbes Pirie, Mohan Ganeshalingam, Karina Garbesi, Samantha Infeld, Colleen Kantner, Erik Page, Alex Valenti, and Vagelis Vossos provided assistance in developing and executing the surveys. Gregory Rosenquist and Alex Lekov provided high-level support and encouragement. We thank the US Department of Energy, Building Technologies Office, for financial support. NR 41 TC 0 Z9 0 U1 1 U2 2 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1570-646X EI 1570-6478 J9 ENERG EFFIC JI Energy Effic. PD DEC PY 2015 VL 8 IS 6 BP 1063 EP 1075 DI 10.1007/s12053-015-9334-6 PG 13 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Environmental Studies SC Science & Technology - Other Topics; Energy & Fuels; Environmental Sciences & Ecology GA CX0XW UT WOS:000365421800003 ER PT J AU Henze, GP Pless, S Petersen, A Long, N Scambos, AT AF Henze, Gregor P. Pless, Shanti Petersen, Anya Long, Nicholas Scambos, Alexander T. TI Control limits for building energy end use based on frequency analysis and quantile regression SO ENERGY EFFICIENCY LA English DT Article DE Energy analytics; Energy dashboard; Predictive energy modeling; Energy control limits AB For buildings designed to meet aggressive energy goals, there is a need for tools to assist in the monitoring and maintenance of performance once the building is in operation. In particular, dashboard visualizations that show real-time and historic end use energy consumption alongside expected performance are powerful tools for both occupant engagement and the identification of operational issues. This article focuses on two related approaches to calculating upper and lower control limits for acceptable ranges of end use, which use a combination of modeled and measured usage data to generate realistic energy-conservative control limits. The first approach centers on the analysis of frequency distributions for end use consumption as functions of a main effect variable, while the second approach uses multivariate quantile regression based on principal components to generate control limits from all available measured variables. C1 [Henze, Gregor P.; Pless, Shanti; Petersen, Anya; Long, Nicholas] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Henze, Gregor P.; Scambos, Alexander T.] Univ Colorado, Boulder, CO 80309 USA. RP Henze, GP (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM gregor.henze@colorado.edu NR 25 TC 0 Z9 0 U1 2 U2 4 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1570-646X EI 1570-6478 J9 ENERG EFFIC JI Energy Effic. PD DEC PY 2015 VL 8 IS 6 BP 1077 EP 1092 DI 10.1007/s12053-015-9342-6 PG 16 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Environmental Studies SC Science & Technology - Other Topics; Energy & Fuels; Environmental Sciences & Ecology GA CX0XW UT WOS:000365421800004 ER PT J AU Carvallo, JP Larsen, PH Goldman, CA AF Carvallo, Juan Pablo Larsen, Peter H. Goldman, Charles A. TI Estimating customer electricity and fuel savings from projects installed by the US ESCO industry SO ENERGY EFFICIENCY LA English DT Article DE Energy service companies; Electricity savings; Energy efficiency ID SERVICE COMPANY INDUSTRY; DEVELOPING-COUNTRIES; ENERGY; MARKET; EMISSIONS; EVOLUTION; BUSINESS; FOSTER; POLICY; SIZE AB The US energy service company (ESCO) industry has a well-established track record of delivering substantial energy and dollar savings in the public and institutional facilities sector, typically through the use of energy savings performance contracts (ESPC). The ESCO industry has the opportunity to play an important role in achieving demand-side energy efficiency under the US Environmental Protection Agency's (EPA) proposed Clean Power Plan. The EPA considered demand-side energy efficiency as a compliance strategy for proposed greenhouse gas (GHG) emissions standards under section 111 (d) of the Clean Air Act. To date, there has been little or no research in the public domain to estimate electricity or fuel savings for the entire US ESCO industry. Estimating these savings levels is a foundational step in order to determine total avoided GHG emissions from demand-side energy efficiency measures installed by US ESCOs. We find that on average, 66 % of total energy savings are in the form of electricity, but that in more comprehensive projects, almost 50 % of savings are produced from fuel resources. Overall, we estimate that active US ESCO industry projects generated about 34 TWh of electricity savings in 2012. About 15 TWh of these electricity savings were for municipal, local, and state government facilities; universities/colleges; K-12 schools; and healthcare (MUSH) facilities customers who did not rely on utility customer-funded energy efficiency programs. We extend the electricity analysis to estimate total energy savings and find that the US ESCO industry saved similar to 224 million MMBtu in 2012 or similar to 1 % of the total US commercial building energy consumption. C1 [Carvallo, Juan Pablo; Larsen, Peter H.; Goldman, Charles A.] Ernest Orlando Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Carvallo, Juan Pablo] Univ Calif Berkeley, Renewable & Appropriate Energy Lab, Berkeley, CA 94720 USA. [Carvallo, Juan Pablo] Univ Calif Berkeley, Energy & Resources Grp, Berkeley, CA 94720 USA. [Larsen, Peter H.] Stanford Univ, Management Sci & Engn Dept, Sch Engn, Stanford, CA 94305 USA. RP Carvallo, JP (reprint author), Ernest Orlando Lawrence Berkeley Natl Lab, 1 Cyclotron Rd,MS 90R4000, Berkeley, CA 94720 USA. EM jpcarvallo@lbl.gov FU US Department of Energy Office of Energy Efficiency and Renewable Energy, Weatherization and Intergovernmental Programs [DE-AC02-05CH11231] FX The work described in this article was funded by the US Department of Energy Office of Energy Efficiency and Renewable Energy, Weatherization and Intergovernmental Programs under Contract No. DE-AC02-05CH11231. NR 28 TC 0 Z9 0 U1 4 U2 11 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1570-646X EI 1570-6478 J9 ENERG EFFIC JI Energy Effic. PD DEC PY 2015 VL 8 IS 6 BP 1251 EP 1261 DI 10.1007/s12053-015-9405-8 PG 11 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Environmental Studies SC Science & Technology - Other Topics; Energy & Fuels; Environmental Sciences & Ecology GA CX0XW UT WOS:000365421800014 ER PT J AU Feng, H Zhang, WG Liu, WL Yu, LZ Qian, Y Wang, J Wang, JJ Eng, C Liu, CJ Jones, KW Tappero, R AF Feng, Huan Zhang, Weiguo Liu, Wenliang Yu, Lizhong Qian, Yu Wang, Jun Wang, Jia-Jun Eng, Christopher Liu, Chang-Jun Jones, Keith W. Tappero, Ryan TI Synchrotron micro-scale study of trace metal transport and distribution in Spartina alterniflora root system in Yangtze River intertidal zone SO ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH LA English DT Article DE Spartina alterniflora; Tracemetals; Synchrotron radiation technique; Rhizosphere root system; Transport; Yangtze River estuary ID HEAVY-METAL; TYPHA-LATIFOLIA; IRON PLAQUE; PHRAGMITES-AUSTRALIS; SOLUTION CULTURE; FE-PLAQUE; IN-SITU; CONTAMINATED SOILS; ASTER-TRIPOLIUM; AQUATIC PLANTS AB This study is focused on micro-scale measurement of metal (Ca, Cl, Fe, K, Mn, Cu, Pb, and Zn) distributions in Spartina alterniflora root system. The root samples were collected in the Yangtze River intertidal zone in July 2013. Synchrotron X-ray fluorescence (XRF), computed microtomography (CMT), and X-ray absorption near-edge structure (XANES) techniques, which provide micro-meter scale analytical resolution, were applied to this study. Although it was found that the metals of interest were distributed in both epidermis and vascular tissue with the varying concentrations, the results showed that Fe plaque was mainly distributed in the root epidermis. Other metals (e.g., Cu, Mn, Pb, and Zn) were correlated with Fe in the epidermis possibly due to scavenge by Fe plaque. Relatively high metal concentrations were observed in the root hair tip. This micro-scale investigation provides insights of understanding the metal uptake and spatial distribution as well as the function of Fe plaque governing metal transport in the root system. C1 [Feng, Huan; Qian, Yu] Montclair State Univ, Dept Earth & Environm Studies, Montclair, NJ 07043 USA. [Zhang, Weiguo; Liu, Wenliang; Yu, Lizhong] E China Normal Univ, State Key Lab Estuarine & Coastal Res, Shanghai 200062, Peoples R China. [Wang, Jun; Wang, Jia-Jun; Eng, Christopher; Tappero, Ryan] Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA. [Liu, Chang-Jun; Jones, Keith W.] Brookhaven Natl Lab, Biol Environm & Climate Sci Dept, Upton, NY 11973 USA. RP Feng, H (reprint author), Montclair State Univ, Dept Earth & Environm Studies, Montclair, NJ 07043 USA. EM fengh@mail.montclair.edu FU State Key Laboratory of Estuarine and Coastal Research Open Research Fund [SKLEC-KF201304]; China Scholarship Council; Margaret and Herman Sokol Foundation; U.S. Department of Energy, Office of Science, Office of Workforce Development for Teachers and Scientists (WDTS) under the Visiting Faculty Program (VFP); U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-98CH10886]; U.S. Department of Energy - Geosciences [DE-FG02-92ER14244] FX This work was supported in part by the State Key Laboratory of Estuarine and Coastal Research Open Research Fund (Ref #: SKLEC-KF201304) (HF, WZ, LY, WL, YQ), the China Scholarship Council (YQ), and the Margaret and Herman Sokol Foundation (HF). This project was also supported in part by the U.S. Department of Energy, Office of Science, Office of Workforce Development for Teachers and Scientists (WDTS) under the Visiting Faculty Program (VFP) (HF). Use of the NSLS was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. NSLS X27A was supported in part by the U.S. Department of Energy - Geosciences (DE-FG02-92ER14244 to The University of Chicago - CARS). We are also grateful to Professor Elena Maestri, Editor of Environmental Science and Pollution Research, and the two anonymous reviewers who offered constructive comments and suggestions on an earlier draft of this paper. NR 63 TC 2 Z9 2 U1 5 U2 18 PU SPRINGER HEIDELBERG PI HEIDELBERG PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY SN 0944-1344 EI 1614-7499 J9 ENVIRON SCI POLLUT R JI Environ. Sci. Pollut. Res. PD DEC PY 2015 VL 22 IS 23 BP 18933 EP 18944 DI 10.1007/s11356-015-5068-4 PG 12 WC Environmental Sciences SC Environmental Sciences & Ecology GA CX6MU UT WOS:000365816000059 PM 26208662 ER PT J AU Bierman, PR Davis, PT Corbett, LB Lifton, NA Finkel, RC AF Bierman, Paul R. Davis, P. Thompson Corbett, Lee B. Lifton, Nathaniel A. Finkel, Robert C. TI Cold-based Laurentide ice covered New England's highest summits during the Last Glacial Maximum SO GEOLOGY LA English DT Article ID SITU COSMOGENIC BE-10; WHITE MOUNTAINS; BAFFIN-ISLAND; NEW-HAMPSHIRE; ARCTIC CANADA; KATAHDIN AREA; DEGLACIATION; EROSION; SHEET; NUCLIDE AB To better understand glacial history and process in New England (northeastern United States), a mountainous area overrun by the Laurentide Ice Sheet, we measured three cosmogenic nuclides in nine upland samples. The concentrations of Be-10 and Al-26 in some samples collected near the summits of Katahdin (Maine) and Mount Washington and Little Haystack Mountain (New Hampshire) are 2-10 times higher than expected for a single exposure period, considering field evidence indicating that continental ice-covered all New England peaks during the Last Glacial Maximum. In-situ C-14 exposure ages from the summits are much younger, suggesting that high-elevation sampling sites were ice-covered before and during the Last Glacial Maximum. Field and isotopic data are consistent with New England summits being covered in part by cold-based continental ice that did not erode much rock. The contrast in erosion rates between stable summits and deeply eroded valleys likely contributes to the development and maintenance of northern Appalachian topography. C1 [Bierman, Paul R.; Corbett, Lee B.] Univ Vermont, Dept Geol, Burlington, VT 05405 USA. [Davis, P. Thompson] Bentley Univ, Dept Nat & Appl Sci, Waltham, MA 02452 USA. [Lifton, Nathaniel A.] Purdue Univ, Dept Earth Atmospher & Planetary Sci, W Lafayette, IN 47907 USA. [Lifton, Nathaniel A.] Purdue Univ, Dept Phys & Astron, W Lafayette, IN 47907 USA. [Finkel, Robert C.] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. [Finkel, Robert C.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Bierman, PR (reprint author), Univ Vermont, Dept Geol, Burlington, VT 05405 USA. FU National Science Foundation [OPP-93-21733] FX We thank Baxter State Park (Maine, USA) for permission to sample. C. Dorion, J. Hoekwater, and P. Dillon assisted with sampling. Analysis was supported by National Science Foundation grant OPP-93-21733. We thank A.J.T. Jull, D. Biddulph, and R. Cruz for 14C measurements at the University of Arizona. Comments from D. Dethier, J. Ridge, and an anonymous reviewer improved the manuscript. NR 40 TC 4 Z9 4 U1 0 U2 10 PU GEOLOGICAL SOC AMER, INC PI BOULDER PA PO BOX 9140, BOULDER, CO 80301-9140 USA SN 0091-7613 EI 1943-2682 J9 GEOLOGY JI Geology PD DEC PY 2015 VL 43 IS 12 BP 1059 EP 1062 DI 10.1130/G37225.1 PG 4 WC Geology SC Geology GA CX3DJ UT WOS:000365575400007 ER PT J AU Jaime, MC Zhou, YN Lin, JS Gamwo, IK AF Jaime, Maria C. Zhou, Yaneng Lin, Jeen-Shang Gamwo, Isaac K. TI Finite element modeling of rock cutting and its fragmentation process SO INTERNATIONAL JOURNAL OF ROCK MECHANICS AND MINING SCIENCES LA English DT Article DE Scratch test; Rock cutting; Finite element method; Rock fragmentation; Fracture energy ID DRAG BITS; TRANSITION; MECHANICS AB Rock cutting is a challenging problem from a modeling perspective. The challenges come from the complexity of the physics from the tool-rock interaction to the fracture process and propagation of the quasibrittle rocks. This study was aimed at developing a finite element procedure that was capable of providing reasonable estimates of cutting forces and, at the same time, capturing the essential characteristics of the fragmentation process. Published laboratory rock scratch tests were used as modeling targets since these tests encompass all essential characteristics of rock cutting. Both shallow cuts and deep cuts from a rectangular cutter were analyzed first, followed by modeling of shallow cuts from a disc cutter. It was concluded that rock cutting could be reasonably modeled by using a plasticity-damage model, an element erosion scheme that removes an element when its energy release equals fracture energy, together with a proper selection of modeling parameters. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Jaime, Maria C.; Lin, Jeen-Shang] Univ Pittsburgh, Dept Civil & Environm Engn, Pittsburgh, PA 15261 USA. [Lin, Jeen-Shang] Univ Pittsburgh, Dept Mech Engn & Mat Sci, Pittsburgh, PA 15261 USA. [Zhou, Yaneng] Penn State Univ, Dept Geosci, University Pk, PA 16802 USA. [Gamwo, Isaac K.] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. RP Lin, JS (reprint author), Univ Pittsburgh, Dept Civil & Environm Engn, Pittsburgh, PA 15261 USA. EM jslin@pitt.edu FU Department of Energy's National Energy Technology Laboratory [DE-AC26-04NT41817]; University of Pittsburgh [DE-AC26-04NT41817] FX This technical effort was performed in support of the research on drilling under extreme conditions under the RDS contract DE-AC26-04NT41817 between the Department of Energy's National Energy Technology Laboratory and the University of Pittsburgh. The authors would also like to expresses their gratitude to Emmanuel Detournay of the University of Minnesota for providing the cutting films, and to Pierre Besuelle of the National Center for Scientific Research, France, for providing the Vosges sandstone testing data. NR 25 TC 3 Z9 3 U1 5 U2 11 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1365-1609 EI 1873-4545 J9 INT J ROCK MECH MIN JI Int. J. Rock Mech. Min. Sci. PD DEC PY 2015 VL 80 BP 137 EP 146 DI 10.1016/j.ijrmms.2015.09.004 PG 10 WC Engineering, Geological; Mining & Mineral Processing SC Engineering; Mining & Mineral Processing GA CX3HL UT WOS:000365587900015 ER PT J AU Mathaudhu, SN Boyce, BL AF Mathaudhu, Suveen N. Boyce, Brad L. TI Thermal Stability: The Next Frontier for Nanocrystalline Materials SO JOM LA English DT Editorial Material ID COPPER; STABILIZATION; TEMPERATURE; ALLOYS C1 [Mathaudhu, Suveen N.] Univ Calif Riverside, Dept Mech Engn, Riverside, CA 92521 USA. [Mathaudhu, Suveen N.] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA. [Boyce, Brad L.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Mathaudhu, SN (reprint author), Univ Calif Riverside, Dept Mech Engn, Riverside, CA 92521 USA. EM smath-audhu@engr.ucr.edu; blboyce@sandia.gov NR 14 TC 4 Z9 5 U1 3 U2 17 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1047-4838 EI 1543-1851 J9 JOM-US JI JOM PD DEC PY 2015 VL 67 IS 12 BP 2785 EP 2787 DI 10.1007/s11837-015-1708-x PG 3 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing GA CX2QM UT WOS:000365541700003 ER PT J AU Mccabe, RJ Carpenter, JS Vogel, S Mara, NA Beyerlein, IJ AF Mccabe, Rodney J. Carpenter, John S. Vogel, Sven Mara, Nathan A. Beyerlein, Irene J. TI Recrystallization and Grain Growth in Accumulative Roll-Bonded Metal Composites SO JOM LA English DT Article ID ELECTRON BACKSCATTER DIFFRACTION; NB NANOLAMELLAR COMPOSITES; NANOCRYSTALLINE ALLOYS; BIMETAL INTERFACES; TEXTURE; STABILITY; EVOLUTION; FRACTION; COPPER AB We examine recrystallization and grain growth during processing of accumulative roll-bonded (ARB) Cu-Nb and Zr-Nb composites. Throughout the ARB process, from initial millimeter thick layers down to nanometer thick layers, the mechanism for recrystallization and grain growth is the motion of high-angle grain boundaries (HAGBs). However, the driving forces for these phenomena change as the densities of different types of defects evolve during the process. The creation and redistribution of dislocations, grain boundaries, and phase boundaries has significant effects on recrystallization and grain growth and, thus, on microstructural evolution. Both Cu-Nb and Zr-Nb exhibit a distinct transition in recrystallization and growth behavior at around 500-nm average layer thicknesses. For the thicker layered materials, the microstructure evolution during recrystallization and growth is determined by the density and distribution of dislocations and HAGBs. For layers less than 500 nm, the layers are largely one-grain thick and the grains are nearly dislocation free; coarsening of grains within layers at the nanoscale is due to reduction in phase boundary energy. C1 [Mccabe, Rodney J.; Carpenter, John S.; Vogel, Sven] Los Alamos Natl Lab, MST Div, Los Alamos, NM 87545 USA. [Mara, Nathan A.] Los Alamos Natl Lab, MPA CINT, Los Alamos, NM 87545 USA. [Beyerlein, Irene J.] Los Alamos Natl Lab, T Div, Los Alamos, NM 87545 USA. RP Mccabe, RJ (reprint author), Los Alamos Natl Lab, MST Div, POB 1663, Los Alamos, NM 87545 USA. EM rmccabe@lanl.gov OI McCabe, Rodney /0000-0002-6684-7410; Vogel, Sven C./0000-0003-2049-0361; Carpenter, John/0000-0001-8821-043X FU Los Alamos National Laboratory Directed Research and Development (LDRD) [20140348ER]; National Nuclear Security Administration of the U.S. Department of Energy [DE-AC52-06NA25396] FX This work was supported by the Los Alamos National Laboratory Directed Research and Development (LDRD) Project 20140348ER. Los Alamos National Laboratory, an affirmative action equal opportunity employer, is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the U.S. Department of Energy under contract DE-AC52-06NA25396. Neutron diffraction results were collected on the High Pressure Preferred Orientation (HIPPO) beam line at the Los Alamos Neutron Science Center. Electron microscopy was performed at the Los Alamos Electron Microscopy Laboratory. NR 32 TC 1 Z9 1 U1 6 U2 19 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1047-4838 EI 1543-1851 J9 JOM-US JI JOM PD DEC PY 2015 VL 67 IS 12 BP 2810 EP 2819 DI 10.1007/s11837-015-1663-6 PG 10 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing GA CX2QM UT WOS:000365541700006 ER PT J AU Chapman, KW Lapidus, SH Chupas, PJ AF Chapman, Karena W. Lapidus, Saul H. Chupas, Peter J. TI Applications of principal component analysis to pair distribution function data SO JOURNAL OF APPLIED CRYSTALLOGRAPHY LA English DT Article DE parametric; high-throughput; multivariate analysis; model-independent analysis; pair distribution function; principal component analysis ID AB-INITIO DETERMINATION; X-RAY-DIFFRACTION; HIGH-RESOLUTION; NANOSTRUCTURE; GAMMA-AL2O3; SCATTERING AB Developments in X-ray scattering instruments have led to unprecedented access to in situ and parametric X-ray scattering data. Deriving scientific insights and understanding from these large volumes of data has become a rate-limiting step. While formerly a data-limited technique, pair distribution function (PDF) measurement capacity has expanded to the point that the method is rarely limited by access to quantitative data or material characteristics - analysis and interpretation of the data can be a more severe impediment. This paper shows that multivariate analyses offer a broadly applicable and efficient approach to help analyse series of PDF data from high-throughput and in situ experiments. Specifically, principal component analysis is used to separate features from atom-atom pairs that are correlated - changing concentration and/or distance in concert - allowing evaluation of how they vary with material composition, reaction state or environmental variable. Without requiring prior knowledge of the material structure, this can allow the PDF from constituents of a material to be isolated and its structure more readily identified and modelled; it allows one to evaluate reactions or transitions to quantify variations in species concentration and identify intermediate species; and it allows one to identify the length scale and mechanism relevant to structural transformations. C1 [Chapman, Karena W.; Lapidus, Saul H.; Chupas, Peter J.] Argonne Natl Lab, Xray Sci Div, Lemont, IL 60439 USA. RP Chapman, KW (reprint author), Argonne Natl Lab, Xray Sci Div, Lemont, IL 60439 USA. EM chapmank@aps.anl.gov; chupas@aps.anl.gov FU Joint Center for Energy Storage Research, an Energy Innovation Hub - US Department of Energy, Office of Science, Basic Energy Sciences; US Department of Energy [DE-AC02-06CH11357] FX This work was supported as part of the Joint Center for Energy Storage Research, an Energy Innovation Hub funded by the US Department of Energy, Office of Science, Basic Energy Sciences. Work done at Argonne and use of the Advanced Photon Source, an Office of Science User Facility operated for the US Department of Energy Office of Science by Argonne National Laboratory, were supported by the US Department of Energy under contract No. DE-AC02-06CH11357. NR 22 TC 4 Z9 4 U1 6 U2 13 PU INT UNION CRYSTALLOGRAPHY PI CHESTER PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND SN 1600-5767 J9 J APPL CRYSTALLOGR JI J. Appl. Crystallogr. PD DEC PY 2015 VL 48 BP 1619 EP 1626 DI 10.1107/S1600576715016532 PN 6 PG 8 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA CX5XC UT WOS:000365774800004 ER PT J AU Olds, D Wang, HW Page, K AF Olds, Daniel Wang, Hsiu-Wen Page, Katharine TI DShaper: an approach for handling missing low-Q data in pair distribution function analysis of nanostructured systems SO JOURNAL OF APPLIED CRYSTALLOGRAPHY LA English DT Article DE pair distribution function data analysis; shape functions; nanostructured systems; DShaper ID RADIAL-DISTRIBUTION FUNCTION; SMALL-ANGLE SCATTERING; X-RAY-DIFFRACTION; ATOMIC-STRUCTURE; NANOPARTICLES; DISORDER; NANOCRYSTALS; SIMULATION; MECHANISM; SIZE AB This article discusses the potential problems and currently available solutions in modeling powder-diffraction-based pair distribution function (PDF) data from systems where morphological feature information content includes distances in the nanometre length scale, such as finite nanoparticles, nanoporous networks and nanoscale precipitates in bulk materials. The implications of an experimental finite minimum Q value are reviewed by simulation, which also demonstrates the advantages of combining PDF data with small-angle scattering data. A simple Fortran90 code, DShaper, is introduced, which may be incorporated into PDF data fitting routines in order to approximate the so-called 'shape function' for any atomistic model. C1 [Olds, Daniel; Page, Katharine] Oak Ridge Natl Lab, Spallat Neutron Source, Oak Ridge, TN 37831 USA. [Olds, Daniel; Wang, Hsiu-Wen; Page, Katharine] Los Alamos Natl Lab, Lujan Neutron Scattering Ctr, Los Alamos, NM 87545 USA. [Wang, Hsiu-Wen] Oak Ridge Natl Lab, Joint Inst Neutron Sci, Oak Ridge, TN 37831 USA. RP Olds, D (reprint author), Oak Ridge Natl Lab, Spallat Neutron Source, Oak Ridge, TN 37831 USA. EM oldsdp@ornl.gov RI Olds, Daniel/D-1722-2016; Page, Katharine/C-9726-2009 OI Olds, Daniel/0000-0002-4611-4113; Page, Katharine/0000-0002-9071-3383 FU Department of Energy's Office of Basic Energy Sciences; US Department of Energy, Office of Science, Office of Basic Energy Sciences, Early Career Research Program award [KC040602]; Laboratory Directed Research and Development Program at Los Alamos National Laboratory; Los Alamos National Security LLC under DOE [DE-AC52-06NA25396] FX We gratefully acknowledge helpful discussions with Rex Hjelm and Devinder Sivia concerning aspects of this work. The work by all authors was supported under the Department of Energy's Office of Basic Energy Sciences. Time spent by HWW was partially supported through the US Department of Energy, Office of Science, Basic Energy Sciences, Chemical Sciences, Geosciences and Biosciences Division. Time spent by KP was partially supported through the US Department of Energy, Office of Science, Office of Basic Energy Sciences, Early Career Research Program award KC040602. HWW and KP were also partially sponsored by the Laboratory Directed Research and Development Program at Los Alamos National Laboratory. Los Alamos National Laboratory is operated by Los Alamos National Security LLC under DOE contract No. DE-AC52-06NA25396. NR 43 TC 1 Z9 1 U1 5 U2 12 PU INT UNION CRYSTALLOGRAPHY PI CHESTER PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND SN 1600-5767 J9 J APPL CRYSTALLOGR JI J. Appl. Crystallogr. PD DEC PY 2015 VL 48 BP 1651 EP 1659 DI 10.1107/S1600576715016581 PN 6 PG 9 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA CX5XC UT WOS:000365774800008 ER PT J AU Caliandro, R Guccione, P Nico, G Tutuncu, G Hanson, JC AF Caliandro, Rocco Guccione, Pietro Nico, Giovanni Tutuncu, Goknur Hanson, Jonathan C. TI Tailored multivariate analysis for modulated enhanced diffraction SO JOURNAL OF APPLIED CRYSTALLOGRAPHY LA English DT Article DE multivariate analysis; X-ray powder diffraction; modulated enhanced diffraction ID NONNEGATIVE MATRIX FACTORIZATION; PRINCIPAL COMPONENT ANALYSIS; CURVE RESOLUTION; SOLID CATALYSTS; SPECTROSCOPY; SELECTIVITY; ALGORITHMS; SOFTWARE; METHANOL AB Modulated enhanced diffraction (MED) is a technique allowing the dynamic structural characterization of crystalline materials subjected to an external stimulus, which is particularly suited for in situ and operando structural investigations at synchrotron sources. Contributions from the (active) part of the crystal system that varies synchronously with the stimulus can be extracted by an offline analysis, which can only be applied in the case of periodic stimuli and linear system responses. In this paper a new decomposition approach based on multivariate analysis is proposed. The standard principal component analysis (PCA) is adapted to treat MED data: specific figures of merit based on their scores and loadings are found, and the directions of the principal components obtained by PCA are modified to maximize such figures of merit. As a result, a general method to decompose MED data, called optimum constrained components rotation (OCCR), is developed, which produces very precise results on simulated data, even in the case of nonperiodic stimuli and/or nonlinear responses. The multivariate analysis approach is able to supply in one shot both the diffraction pattern related to the active atoms (through the OCCR loadings) and the time dependence of the system response (through the OCCR scores). When applied to real data, OCCR was able to supply only the latter information, as the former was hindered by changes in abundances of different crystal phases, which occurred besides structural variations in the specific case considered. To develop a decomposition procedure able to cope with this combined effect represents the next challenge in MED analysis. C1 [Caliandro, Rocco] CNR, Inst Crystallog, I-70126 Bari, Italy. [Guccione, Pietro] Politecn Bari, Dipartimento Ingn Elettr & Informaz, I-70125 Bari, Italy. [Nico, Giovanni] CNR, Ist Applicaz Calcolo Mauro Picone, I-70126 Bari, Italy. [Tutuncu, Goknur] Brookhaven Natl Lab, Photon Sci Div, NSLS 2, Upton, NY 11973 USA. [Hanson, Jonathan C.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Caliandro, R (reprint author), CNR, Inst Crystallog, Via Amendola 122, I-70126 Bari, Italy. EM rocco.caliandro@ic.cnr.it RI Hanson, jonathan/E-3517-2010; caliandro, rocco/A-2686-2013 OI caliandro, rocco/0000-0002-0368-4925 FU US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-98CH10886]; short-term mobility CNR program FX Use of the National Synchrotron Light Source, Brookhaven National Laboratory, was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, under contract No. DE-AC02-98CH10886. This research has been partially supported by the short-term mobility CNR program. Caterina Chiarella is acknowledged for technical support. NR 31 TC 3 Z9 3 U1 0 U2 4 PU INT UNION CRYSTALLOGRAPHY PI CHESTER PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND SN 1600-5767 J9 J APPL CRYSTALLOGR JI J. Appl. Crystallogr. PD DEC PY 2015 VL 48 BP 1679 EP 1691 DI 10.1107/S1600576715017070 PN 6 PG 13 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA CX5XC UT WOS:000365774800012 ER PT J AU Stoupin, S Liu, ZP Heald, SM Brewe, D Meron, M AF Stoupin, Stanislav Liu, Zunping Heald, Steve M. Brewe, Dale Meron, Mati TI Diffraction imaging for in situ characterization of double-crystal X-ray monochromators SO JOURNAL OF APPLIED CRYSTALLOGRAPHY LA English DT Article DE diffraction imaging; X-ray monochromators; high heat loads; thermal deformation; cryogenic cooling; rocking curves; in situ metrology ID COOLED SILICON MONOCHROMATORS; HEAT LOAD; THERMAL DEFORMATION; PERFORMANCE LIMITS; OPTICS; APS AB Imaging of the Bragg-reflected X-ray beam is proposed and validated as an in situ method for characterization of the performance of double-crystal monochromators under the heat load of intense synchrotron radiation. A sequence of images is collected at different angular positions on the reflectivity curve of the second crystal and analyzed. The method provides rapid evaluation of the wavefront of the exit beam, which relates to local misorientation of the crystal planes along the beam footprint on the thermally distorted first crystal. The measured misorientation can be directly compared with the results of finite element analysis. The imaging method offers an additional insight into the local intrinsic crystal quality over the footprint of the incident X-ray beam. C1 [Stoupin, Stanislav; Liu, Zunping; Heald, Steve M.; Brewe, Dale] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Meron, Mati] Univ Chicago, CARS, Chicago, IL 60637 USA. RP Stoupin, S (reprint author), Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. EM sstoupin@aps.anl.gov FU US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX We thank M. Beno, G. Navrotski, J. Lang, A. Macrander and other members of the high-heat-load monochromator working group at the Advanced Photon Source for helpful discussions. L. Berman is acknowledged for valuable comments. M. Moore, R. Woods and M. Pape are acknowledged for technical support. 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. NR 30 TC 2 Z9 2 U1 1 U2 5 PU INT UNION CRYSTALLOGRAPHY PI CHESTER PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND SN 1600-5767 J9 J APPL CRYSTALLOGR JI J. Appl. Crystallogr. PD DEC PY 2015 VL 48 BP 1734 EP 1744 DI 10.1107/S1600576715017446 PN 6 PG 11 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA CX5XC UT WOS:000365774800018 ER PT J AU Pratt, AJ DiDonato, M Shin, DS Cabelli, DE Bruns, CK Belzer, CA Gorringe, AR Langford, PR Tabatabai, LB Kroll, JS Tainer, JA Getzoff, ED AF Pratt, Ashley J. DiDonato, Michael Shin, David S. Cabelli, Diane E. Bruns, Cami K. Belzer, Carol A. Gorringe, Andrew R. Langford, Paul R. Tabatabai, Louisa B. Kroll, J. Simon Tainer, John A. Getzoff, Elizabeth D. TI Structural, Functional, and Immunogenic Insights on Cu,Zn Superoxide Dismutase Pathogenic Virulence Factors from Neisseria meningitidis and Brucella abortus SO JOURNAL OF BACTERIOLOGY LA English DT Article ID SMALL-ANGLE SCATTERING; X-RAY-SCATTERING; ESCHERICHIA-COLI; HAEMOPHILUS-DUCREYI; ACTIVE-SITE; CU,ZN-SUPEROXIDE DISMUTASE; ELECTROSTATIC RECOGNITION; SALMONELLA-TYPHIMURIUM; MOLECULAR REPLACEMENT; PROTECTIVE IMMUNITY AB Bacterial pathogens Neisseria meningitidis and Brucella abortus pose threats to human and animal health worldwide, causing meningococcal disease and brucellosis, respectively. Mortality from acute N. meningitidis infections remains high despite antibiotics, and brucellosis presents alimentary and health consequences. Superoxide dismutases are master regulators of reactive oxygen and general pathogenicity factors and are therefore therapeutic targets. Cu,Zn superoxide dismutases (SODs) localized to the periplasm promote survival by detoxifying superoxide radicals generated by major host antimicrobial immune responses. We discovered that passive immunization with an antibody directed at N. meningitidis SOD (NmSOD) was protective in a mouse infection model. To define the relevant atomic details and solution assembly states of this important virulence factor, we report high-resolution and X-ray scattering analyses of NmSOD and of SOD from B. abortus (BaSOD). The NmSOD structures revealed an auxiliary tetrahedral Cu-binding site bridging the dimer interface; mutational analyses suggested that this metal site contributes to protein stability, with implications for bacterial defense mechanisms. Biochemical and structural analyses informed us about electrostatic substrate guidance, dimer assembly, and an exposed C-terminal epitope in the NmSOD dimer. In contrast, the monomeric BaSOD structure provided insights for extending immunogenic peptide epitopes derived from the protein. These collective results reveal unique contributions of SOD to pathogenic virulence, refine predictive motifs for distinguishing SOD classes, and suggest general targets for antibacterial immune responses. The identified functional contributions, motifs, and targets distinguishing bacterial and eukaryotic SOD assemblies presented here provide a foundation for efforts to develop SOD-specific inhibitors of or vaccines against these harmful pathogens. IMPORTANCE By protecting microbes against reactive oxygen insults, SODs aid survival of many bacteria within their hosts. Despite the ubiquity and conservation of these key enzymes, notable species-specific differences relevant to pathogenesis remain undefined. To probe mechanisms that govern the functioning of Neisseria meningitidis and Brucella abortus SODs, we used X-ray structures, enzymology, modeling, and murine infection experiments. We identified virulence determinants common to the two homologs, assembly differences, and a unique metal reservoir within meningococcal SOD that stabilizes the enzyme and may provide a safeguard against copper toxicity. The insights reported here provide a rationale and a basis for SOD-specific drug design and an extension of immunogen design to target two important pathogens that continue to pose global health threats. C1 [Pratt, Ashley J.; DiDonato, Michael; Shin, David S.; Bruns, Cami K.; Getzoff, Elizabeth D.] Scripps Res Inst, Dept Integrat Struct & Computat Biol, La Jolla, CA 92037 USA. [Pratt, Ashley J.; DiDonato, Michael; Shin, David S.; Bruns, Cami K.; Getzoff, Elizabeth D.] Scripps Res Inst, Skaggs Inst Chem Biol, La Jolla, CA 92037 USA. [Pratt, Ashley J.; Shin, David S.; Tainer, John A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Biophys & Integrated Bioimaging Div, Berkeley, CA 94720 USA. [Cabelli, Diane E.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Belzer, Carol A.; Tabatabai, Louisa B.] Natl Anim Dis Ctr, Ruminant Dis & Immunol, Ames, IA USA. [Gorringe, Andrew R.] Publ Hlth England, Salisbury, Wilts, England. [Langford, Paul R.] Univ London Imperial Coll Sci Technol & Med, Dept Med, Paediat Sect, London, England. [Tainer, John A.] Univ Texas MD Anderson Canc Ctr, Dept Mol & Cellular Oncol, Houston, TX 77030 USA. RP Getzoff, ED (reprint author), Scripps Res Inst, Dept Integrat Struct & Computat Biol, La Jolla, CA 92037 USA. EM edg@scripps.edu FU NIH [R01GM039345, T32AG000266, R01GM105404]; Robert A. Welch Distinguished Chair in Chemistry; George John and Sheilah Livanos Charitable Trust; NSF; Skaggs Institute for Chemical Biology; Canadian Institutes of Health Research; Integrated Diffraction Analysis Technologies (IDAT) program - Department of Energy [BL12.3.1]; U.S. Department of Energy [DE-AC02-98CH10886] FX This work was funded by NIH grant R01GM039345 (to E.D.G. and J.A.T.). J.A.T. is supported by a Robert A. Welch Distinguished Chair in Chemistry. Work in the Kroll laboratory was supported by The George John and Sheilah Livanos Charitable Trust. A.J.P. was supported in part through predoctoral NSF and Skaggs Institute for Chemical Biology fellowships and an NIH T32AG000266 postdoctoral training grant. M.D. was supported by a Canadian Institutes of Health Research postdoctoral fellowship.; We thank the beamline staff at the Stanford Synchrotron Radiation Laboratory (SSRL) for their help during data collection and for the use of the Structurally Integrated BiologY for Life Sciences (SIBYLS) beamline at the Advanced Light Source at Lawrence Berkeley National Laboratory. The SIBYLS beamline (BL12.3.1) is funded through the Integrated Diffraction Analysis Technologies (IDAT) program, supported by the Department of Energy and by NIH grant R01GM105404. Pulse radiolysis studies were carried out at the Center for Radiation Chemical Research, Brookhaven National Laboratory, which was supported under contract DE-AC02-98CH10886 with the U.S. Department of Energy and by its Division of Chemical Sciences, Office of Basic Energy Sciences. The contributions and technical assistance provided by Chiharu Hitomi, Andrew S. Arvai, Carey Kassman, and Zhujin Cao are greatly appreciated. NR 123 TC 1 Z9 1 U1 0 U2 14 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0021-9193 EI 1098-5530 J9 J BACTERIOL JI J. Bacteriol. PD DEC PY 2015 VL 197 IS 24 BP 3834 EP 3847 DI 10.1128/JB.00343-15 PG 14 WC Microbiology SC Microbiology GA CX3TX UT WOS:000365623400010 PM 26459556 ER PT J AU Cavanaugh, NR Shen, SSP AF Cavanaugh, Nicholas R. Shen, Samuel S. P. TI The Effects of Gridding Algorithms on the Statistical Moments and Their Trends of Daily Surface Air Temperature SO JOURNAL OF CLIMATE LA English DT Article DE Physical Meteorology and Climatology; Temperature; Observational techniques and algorithms; Surface observations; Mathematical and statistical techniques; Interpolation schemes; Variability; Anomalies; Climate variability; Trends ID TURBULENCE APPROXIMATION; INHOMOGENEOUS FLOWS; PRECIPITATION; CLIMATOLOGY; ERROR AB This paper explores the effects from averaging weather station data onto a grid on the first four statistical moments of daily minimum and maximum surface air temperature (SAT) anomalies over the entire globe. The Global Historical Climatology Network-Daily (GHCND) and the Met Office Hadley Centre GHCND (HadGHCND) datasets from 1950 to 2010 are examined. The GHCND station data exhibit large spatial patterns for each moment and statistically significant moment trends from 1950 to 2010, indicating that SAT probability density functions are non-Gaussian and have undergone characteristic changes in shape due to decadal variability and/or climate change. Comparisons with station data show that gridded averages always underestimate observed variability, particularly in the extremes, and have altered moment trends that are in some cases opposite in sign over large geographic areas. A statistical closure approach based on the quasi-normal approximation is taken to explore SAT's higher-order moments and point correlation structure. This study focuses specifically on relating variability calculated from station data to that from gridded data through the moment equations for weighted sums of random variables. The higher-order and nonlinear spatial correlations up to the fourth order demonstrate that higher-order moments at grid scale can be determined approximately by functions of station pair correlations that tend to follow the usual Kolmogorov scaling relation. These results can aid in the development of constraints to reduce uncertainties in climate models and have implications for studies of atmospheric variability, extremes, and climate change using gridded observations. C1 [Cavanaugh, Nicholas R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Cavanaugh, Nicholas R.; Shen, Samuel S. P.] Univ Calif San Diego, Scripps Inst Oceanog, La Jolla, CA 92093 USA. [Shen, Samuel S. P.] San Diego State Univ, Dept Math & Stat, San Diego, CA 92182 USA. RP Cavanaugh, NR (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd,Mailstop 74R316C, Berkeley, CA 94720 USA. EM nrcavanaugh@lbl.gov FU National Science Foundation (NSF) [AGS-1015957, AGS-1015926, AGS-1419526, OCE0960770, OCE1419306] FX This research was supported in part by the National Science Foundation (NSF) under Grants AGS-1015957, AGS-1015926, AGS-1419526, OCE0960770, and OCE1419306. The authors thank the three anonymous reviewers and the editor for their comments, which greatly helped improve the quality of the manuscript. NR 37 TC 3 Z9 3 U1 0 U2 8 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 0894-8755 EI 1520-0442 J9 J CLIMATE JI J. Clim. PD DEC PY 2015 VL 28 IS 23 BP 9188 EP 9205 DI 10.1175/JCLI-D-14-00668.1 PG 18 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA CX7DC UT WOS:000365860500008 ER PT J AU Negron-Juarez, RI Riley, WJ Koven, CD Knox, RG Taylor, PG Chambers, JQ AF Negron-Juarez, Robinson I. Riley, William J. Koven, Charles D. Knox, Ryan G. Taylor, Philip G. Chambers, Jeffrey Q. TI The Rainfall Sensitivity of Tropical Net Primary Production in CMIP5 Twentieth-and Twenty-First-Century Simulations SO JOURNAL OF CLIMATE LA English DT Review DE Models and modeling; Climate models; General circulation models ID EARTH SYSTEM MODELS; CLIMATE-CHANGE; CARBON-CYCLE; STOCHASTIC SIMULATION; DAILY PRECIPITATION; AMAZONIAN FORESTS; ATMOSPHERIC CO2; SOLAR-RADIATION; SAMPLE-SIZE; PART I AB In this study, the authors used the relationship between mean annual rainfall (MAR) and net primary production (NPP) (MAR-NPP) observed in tropical forests to evaluate the performance (twentieth century) and predictions (twenty-first century) of tropical NPP from 10 earth system models (ESMs) from phase 5 of the Coupled Model Intercomparison Project (CMIP5). Over the tropical forest domain most of the CMIP5 models showed a positive correlation between NPP and MAR similar to observations. The GFDL, CESM1, CCSM4, and Beijing Normal University (BNU) models better represented the observed MAR-NPP relationship. Compared with observations, the models were able to reproduce the seasonality of rainfall over areas with long dry seasons, but NPP seasonality was difficult to evaluate given the limited observations. From 2006 to 2100, for representative concentration pathway 8.5 (RCP8.5) (and most RCP4.5 simulations) all models projected increases in NPP, but these increases occurred at different rates. By the end of the twenty-first century the models with better performance against observed NPP-MAR projected increases in NPP between similar to 2% (RCP4.5) and similar to 19% (RCP8.5) relative to contemporary observations, representing increases of similar to 9% and similar to 25% relative to their historical simulations. When climate and CO2 fertilization are considered as separate controls on plant physiology, the current climate yields maximum productivity. However, as future climate changes become detrimental to productivity, CO2 fertilization becomes the dominant response, resulting in an overall increase in NPP toward the end of the twenty-first century. Thus, the way in which models represent CO2 fertilization affects their performance. Further studies addressing the individual and simultaneous effect of other climate variables on NPP are needed. C1 [Negron-Juarez, Robinson I.; Riley, William J.; Koven, Charles D.; Knox, Ryan G.; Chambers, Jeffrey Q.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Taylor, Philip G.] Univ Colorado, Dept Ecol & Evolutionary Biol, Boulder, CO 80309 USA. [Chambers, Jeffrey Q.] Univ Calif Berkeley, Dept Geog, Berkeley, CA 94720 USA. RP Negron-Juarez, RI (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM robinson.inj@lbl.gov RI Riley, William/D-3345-2015; Koven, Charles/N-8888-2014; Chambers, Jeffrey/J-9021-2014; Knox, Ryan/N-7897-2013; Negron-Juarez, Robinson/I-6289-2016 OI Riley, William/0000-0002-4615-2304; Koven, Charles/0000-0002-3367-0065; Chambers, Jeffrey/0000-0003-3983-7847; Knox, Ryan/0000-0003-1140-3350; FU Office of Science, Office of Biological and Environmental Research of the U.S. Department of Energy as part of their Regional and Global Climate Modeling (RGCM) Program [DE-AC02-05CH11231] FX This research was supported by the Director of the Office of Science, Office of Biological and Environmental Research of the U.S. Department of Energy under Contract DE-AC02-05CH11231 as part of their Regional and Global Climate Modeling (RGCM) Program. We thank the three anonymous reviewers for their insightful comments and suggestions. NR 113 TC 0 Z9 0 U1 0 U2 15 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 0894-8755 EI 1520-0442 J9 J CLIMATE JI J. Clim. PD DEC PY 2015 VL 28 IS 23 BP 9313 EP 9331 DI 10.1175/JCLI-D-14-00675.1 PG 19 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA CX7DC UT WOS:000365860500016 ER PT J AU Monin, L Griffiths, KL Lam, WY Gopal, R Kang, DWD Ahmed, M Rajamanickam, A Cruz-Lagunas, A Zuniga, J Babu, S Kolls, JK Mitreva, M Rosa, BA Ramos-Payan, R Morrison, TE Murray, PJ Rangel-Moreno, J Pearce, EJ Khader, SA AF Monin, Leticia Griffiths, Kristin L. Lam, Wing Y. Gopal, Radha Kang, Dongwan D. Ahmed, Mushtaq Rajamanickam, Anuradha Cruz-Lagunas, Alfredo Zuniga, Joaquin Babu, Subash Kolls, Jay K. Mitreva, Makedonka Rosa, Bruce A. Ramos-Payan, Rosalio Morrison, Thomas E. Murray, Peter J. Rangel-Moreno, Javier Pearce, Edward J. Khader, Shabaana A. TI Helminth-induced arginase-1 exacerbates lung inflammation and disease severity in tuberculosis SO JOURNAL OF CLINICAL INVESTIGATION LA English DT Article ID T-CELL RESPONSES; MYCOBACTERIUM-BOVIS BCG; SCHISTOSOMA-MANSONI; NEUTROPHILIC INFLAMMATION; LATENT TUBERCULOSIS; MACROPHAGE SUBSETS; INFECTION; MICE; VACCINATION; GRANULOMAS AB Parasitic helminth worms, such as Schistosoma mansoni, are endemic in regions with a high prevalence of tuberculosis (TB) among the population. Human studies suggest that helminth coinfections contribute to increased TB susceptibility and increased rates of TB reactivation. Prevailing models suggest that T helper type 2 (Th2) responses induced by helminth infection impair Th1 immune responses and thereby limit Mycobacterium tuberculosis (Mtb) control. Using a pulmonary mouse model of Mtb infection, we demonstrated that S. mansoni coinfection or immunization with S. mansoni egg antigens can reversibly impair Mtb-specific T cell responses without affecting macrophage-mediated Mtb control. Instead, S. mansoni infection resulted in accumulation of high arginase-1-expressing macrophages in the lung, which formed type 2 granulomas and exacerbated inflammation in Mtb-infected mice. Treatment of coinfected animals with an antihelminthic improved Mtb-specific Th1 responses and reduced disease severity. In a genetically diverse mouse population infected with Mtb, enhanced arginase-1 activity was associated with increased lung inflammation. Moreover, in patients with pulmonary TB, lung damage correlated with increased serum activity of arginase-1, which was elevated in TB patients coinfected with helminths. Together, our data indicate that helminth coinfection induces arginase-1-expressing type 2 granulomas, thereby increasing inflammation and TB disease severity. These results also provide insight into the mechanisms by which helminth coinfections drive increased susceptibility, disease progression, and severity in TB. C1 [Monin, Leticia; Gopal, Radha; Khader, Shabaana A.] Univ Pittsburgh, Sch Med, Dept Pediat, Div Infect Dis, Pittsburgh, PA 15261 USA. [Monin, Leticia; Griffiths, Kristin L.; Ahmed, Mushtaq; Khader, Shabaana A.] Washington Univ, Sch Med, Dept Mol Microbiol, St Louis, MO 63110 USA. [Monin, Leticia; Griffiths, Kristin L.; Ahmed, Mushtaq; Khader, Shabaana A.] Washington Univ, Sch Med, Dept Pathol & Immunol, Div Immunobiol, St Louis, MO 63110 USA. [Kang, Dongwan D.] Joint Genome Inst, Dept Energy, Walnut Creek, CA USA. [Kang, Dongwan D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Genom Div, Berkeley, CA 94720 USA. [Rajamanickam, Anuradha; Babu, Subash] ICER, Int Ctr Excellence, NIRT, NIH, Madras, Tamil Nadu, India. [Cruz-Lagunas, Alfredo; Zuniga, Joaquin] Inst Nacl Enfermedades Resp Ismael Cosio Villegas, Mexico City, DF, Mexico. [Kolls, Jay K.] UPMC, Childrens Hosp Pittsburgh, Pediat Res Inst, Richard King Mellon Fdn, Pittsburgh, PA USA. [Mitreva, Makedonka; Rosa, Bruce A.] Washington Univ, Sch Med, Genome Inst, St Louis, MO 63110 USA. [Mitreva, Makedonka] Washington Univ, Sch Med, Div Infect Dis, Dept Internal Med, St Louis, MO 63110 USA. [Mitreva, Makedonka] Washington Univ, Sch Med, Dept Genet, St Louis, MO 63110 USA. [Ramos-Payan, Rosalio; Rangel-Moreno, Javier] Univ Rochester, Med Ctr, Dept Med, Div Allergy Immunol & Rheumatol, Rochester, NY 14642 USA. [Ramos-Payan, Rosalio] Autonomous Univ Sinaloa, Fac Biol & Chem Sci, Culiacan, Sinaloa, Mexico. [Morrison, Thomas E.] Univ Colorado, Sch Med, Dept Immunol & Microbiol, Aurora, CO USA. [Murray, Peter J.] St Jude Childrens Res Hosp, Dept Infect Dis, Memphis, TN 38105 USA. [Murray, Peter J.] St Jude Childrens Res Hosp, Dept Immunol, Memphis, TN 38105 USA. RP Khader, SA (reprint author), Washington Univ, Dept Mol Microbiol, Campus Box 8230,660 South Euclid Ave, St Louis, MO 63110 USA. EM khader@wustl.edu OI /0000-0002-6008-2955; Rangel-Moreno, Javier/0000-0002-9738-1182 FU Washington University in St. Louis, Children's Hospital of Pittsburgh; NIH [HL105427, AI032573, AI108725]; Children's Hospital of Pittsburgh Research Advisory Committee Grant from Children's Hospital of Pittsburgh of the UPMC Health System; American Lung Association Senior Research Training Fellowship [RT-30592]; Department of Medicine, University of Rochester [U19 AI91036] FX This work was supported by Washington University in St. Louis, Children's Hospital of Pittsburgh, NIH grants HL105427 to S.A. Khader, AI032573 to E.J. Pearce, and AI108725 to T.E. Morrison. L. Monin was supported by Children's Hospital of Pittsburgh Research Advisory Committee Grant from Children's Hospital of Pittsburgh of the UPMC Health System. K.L. Griffiths was supported by American Lung Association Senior Research Training Fellowship RT-30592. J. Rangel-Moreno was supported by funds of the Department of Medicine, University of Rochester, and U19 AI91036. The authors thank Keke Fairfax and Amber Smith for SEA preparation and Markus Mohrs for providing IFN-gamma-YFP reporter mice. We thank Nathella Pavan Kumar, R. Sridhar, and V.V. Banurekha for assistance with recruitment of patients. NR 39 TC 11 Z9 11 U1 2 U2 4 PU AMER SOC CLINICAL INVESTIGATION INC PI ANN ARBOR PA 35 RESEARCH DR, STE 300, ANN ARBOR, MI 48103 USA SN 0021-9738 EI 1558-8238 J9 J CLIN INVEST JI J. Clin. Invest. PD DEC PY 2015 VL 125 IS 12 BP 4699 EP 4713 DI 10.1172/JCI77378 PG 15 WC Medicine, Research & Experimental SC Research & Experimental Medicine GA CX6SI UT WOS:000365831300033 PM 26571397 ER PT J AU Bezrukov, F Levkov, D Sibiryakov, S AF Bezrukov, Fedor Levkov, Dmitry Sibiryakov, Sergey TI Semiclassical S-matrix for black holes SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE Black Holes; Models of Quantum Gravity ID HIGH-ENERGY COLLISIONS; GRAVITATIONAL COLLAPSE; HAWKING RADIATION; MASS-INFLATION; THIN SHELLS; GEOMETRODYNAMICS; TRANSITIONS; HORIZON; FIELD AB We propose a semiclassical method to calculate S-matrix elements for two-stage gravitational transitions involving matter collapse into a black hole and evaporation of the latter. The method consistently incorporates back-reaction of the collapsing and emitted quanta on the metric. We illustrate the method in several toy models describing spherical self-gravitating shells in asymptotically flat and AdS space-times. We find that electrically neutral shells reflect via the above collapse-evaporation process with probability exp(-B), where B is the Bekenstein-Hawking entropy of the intermediate black hole. This is consistent with interpretation of exp(B) as the number of black hole states. The same expression for the probability is obtained in the case of charged shells if one takes into account instability of the Cauchy horizon of the intermediate Reissner-Nordstrom black hole. Our semiclassical method opens a new systematic approach to the gravitational S-matrix in the non-perturbative regime. C1 [Bezrukov, Fedor; Sibiryakov, Sergey] CERN, Dept Phys, CH-1211 Geneva 23, Switzerland. [Bezrukov, Fedor] Univ Connecticut, Dept Phys, Storrs, CT 06269 USA. [Bezrukov, Fedor] Brookhaven Natl Lab, RIKEN BNL Res Ctr, Upton, NY 11973 USA. [Levkov, Dmitry; Sibiryakov, Sergey] Russian Acad Sci, Inst Nucl Res, Moscow 117312, Russia. [Sibiryakov, Sergey] Ecole Polytech Fed Lausanne, FSB, ITP, LPPC, CH-1015 Lausanne, Switzerland. RP Bezrukov, F (reprint author), CERN, Dept Phys, CH-1211 Geneva 23, Switzerland. EM fedor.bezrukov@uconn.edu; levkov@ms2.inr.ac.ru; sergey.sibiryakov@cern.ch FU RFBR [12-02-01203-a, NS-2835.2014.2]; Swiss National Science Foundation FX We are grateful to D. Blas, V. Berezin, R. Brustein, S. Dubovsky, G. Dvali, M. Fitkevich, V. Frolov, J. Garriga, V. Mukhanov, V. Rubakov, A. Smirnov, I. Tkachev and T. Vachaspati for useful discussions. We thank A. Barvinsky, A. Boyarsky and A. Vikman for encouraging interest. This work was supported by the grants RFBR 12-02-01203-a (DL), NS-2835.2014.2 (DL), and the Swiss National Science Foundation (SS). NR 69 TC 0 Z9 0 U1 1 U2 2 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 DEC 1 PY 2015 IS 12 AR 002 DI 10.1007/JHEP12(2015)002 PG 42 WC Physics, Particles & Fields SC Physics GA CX6LP UT WOS:000365812700001 ER PT J AU Milne, S Lanagan, M Ma, BH AF Milne, Steven Lanagan, Michael Ma, Beihai TI Special Issue: Electronic Materials for Harsh Environments SO JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS LA English DT Editorial Material C1 [Milne, Steven] Univ Leeds, Leeds, W Yorkshire, England. [Lanagan, Michael] Penn State Univ, University Pk, PA 16802 USA. [Ma, Beihai] Argonne Natl Lab, Lemont, IL USA. RP Milne, S (reprint author), Univ Leeds, Leeds, W Yorkshire, England. EM S.J.Milne@leeds.ac.uk RI Ma, Beihai/I-1674-2013 OI Ma, Beihai/0000-0003-3557-2773 NR 0 TC 0 Z9 0 U1 2 U2 16 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0957-4522 EI 1573-482X J9 J MATER SCI-MATER EL JI J. Mater. Sci.-Mater. Electron. PD DEC PY 2015 VL 26 IS 12 SI SI BP 9225 EP 9225 DI 10.1007/s10854-015-3966-3 PG 1 WC Engineering, Electrical & Electronic; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Engineering; Materials Science; Physics GA CX2KP UT WOS:000365525900001 ER PT J AU Ma, BH Hu, ZQ Koritala, RE Lee, TH Dorris, SE Balachandran, U AF Ma, Beihai Hu, Zhongqiang Koritala, Rachel E. Lee, Tae H. Dorris, Stephen E. Balachandran, Uthamalingam TI PLZT film capacitors for power electronics and energy storage applications SO JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS LA English DT Article ID TITANATE THIN-FILMS; DIELECTRIC-PROPERTIES; RESIDUAL-STRESS; CERAMICS; DENSITY; PZT AB Ceramic film capacitors with high dielectric constant and high breakdown strength hold special promise for applications demanding high power density. By means of chemical solution deposition, we deposited a parts per thousand 2-mu m-thick films of lanthanum-doped lead zirconate titanate (PLZT) on LaNiO3-buffered Ni (LNO/Ni) foils and platinized silicon (PtSi) substrates. The dielectric properties and energy storage performance of the resulting samples were determined under a high level of applied electric field. X-ray diffraction stress analysis revealed that PLZT on LNO/Ni bears a compressive stress of a parts per thousand 370 MPa while PLZT on PtSi endures a tensile stress of a parts per thousand 250 MPa. Compressive stress was found to lead to heightened polarization, improved tunability, increased irreversible domain wall motion, and enhanced breakdown strength for PLZT deposited on the LNO/Ni as compared with the PtSi substrate. We observed a tunability of a parts per thousand 55 and a parts per thousand 40 % at room temperature under 100 kV/cm applied field, remanent polarization of a parts per thousand 23.5 and a parts per thousand 7.4 A mu C/cm(2), coercive electric field of a parts per thousand 25.6 and a parts per thousand 21.1 kV/cm, and dielectric breakdown strength of a parts per thousand 2.6 and a parts per thousand 1.5 MV/cm for PLZT deposited on LNO/Ni foils and PtSi substrates, respectively. A high recoverable energy density of a parts per thousand 85 J/cm(3) and energy conversion efficiency of a parts per thousand 65 % were measured on the PLZT film grown on LNO/Ni. C1 [Ma, Beihai; Hu, Zhongqiang; Lee, Tae H.; Dorris, Stephen E.; Balachandran, Uthamalingam] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA. [Koritala, Rachel E.] Argonne Natl Lab, Nanosci & Technol Div, Argonne, IL 60439 USA. RP Ma, BH (reprint author), Argonne Natl Lab, Div Energy Syst, 9700 S Cass Ave, Argonne, IL 60439 USA. EM bma@anl.gov RI Ma, Beihai/I-1674-2013; OI Ma, Beihai/0000-0003-3557-2773; Hu, Zhongqiang/0000-0002-7534-0427 FU U.S. Department of Energy, Vehicle Technologies Program [DE-AC02-06CH11357] FX This work was funded by the U.S. Department of Energy, Vehicle Technologies Program, under Contract No. DE-AC02-06CH11357. Microstructure analysis was accomplished at the Electron Microscopy Center for Materials Research 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. NR 28 TC 3 Z9 3 U1 10 U2 35 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0957-4522 EI 1573-482X J9 J MATER SCI-MATER EL JI J. Mater. Sci.-Mater. Electron. PD DEC PY 2015 VL 26 IS 12 SI SI BP 9279 EP 9287 DI 10.1007/s10854-015-3025-0 PG 9 WC Engineering, Electrical & Electronic; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Engineering; Materials Science; Physics GA CX2KP UT WOS:000365525900007 ER PT J AU Harrison-Felix, C Pretz, C Hammond, FM Cuthbert, JP Bell, J Corrigan, J Miller, AC Haarbauer-Krupa, J AF Harrison-Felix, Cynthia Pretz, Christopher Hammond, Flora M. Cuthbert, Jeffrey P. Bell, Jeneita Corrigan, John Miller, A. Cate Haarbauer-Krupa, Juliet TI Life Expectancy after Inpatient Rehabilitation for Traumatic Brain Injury in the United States SO JOURNAL OF NEUROTRAUMA LA English DT Article DE brain injury; chronic; life expectancy; mortality; rehabilitation ID SYSTEMS NATIONAL DATABASE; MODEL SYSTEMS; LATE MORTALITY; HEAD-INJURY; POPULATION; REPRESENTATIVENESS; RISK; CARE AB This study characterized life expectancy after traumatic brain injury (TBI). The TBI Model Systems (TBIMS) National Database (NDB) was weighted to represent those 16 years of age completing inpatient rehabilitation for TBI in the United States (US) between 2001 and 2010. Analyses included Standardized Mortality Ratios (SMRs), Cox regression, and life expectancy. The US mortality rates by age, sex, race, and cause of death for 2005 and 2010 were used for comparison purposes. Results indicated that a total of 1325 deaths occurred in the weighted cohort of 6913 individuals. Individuals with TBI were 2.23 times more likely to die than individuals of comparable age, sex, and race in the general population, with a reduced average life expectancy of 9 years. Independent risk factors for death were: older age, male gender, less-than-high school education, previously married at injury, not employed at injury, more recent year of injury, fall-related TBI, not discharged home after rehabilitation, less functional independence, and greater disability. Individuals with TBI were at greatest risk of death from seizures; accidental poisonings; sepsis; aspiration pneumonia; respiratory, mental/behavioral, or nervous system conditions; and other external causes of injury and poisoning, compared with individuals in the general population of similar age, gender, and race. This study confirms prior life expectancy study findings, and provides evidence that the TBIMS NDB is representative of the larger population of adults receiving inpatient rehabilitation for TBI in the US. There is an increased risk of death for individuals with TBI requiring inpatient rehabilitation. C1 [Harrison-Felix, Cynthia; Pretz, Christopher; Cuthbert, Jeffrey P.] Craig Hosp, Res Dept, Englewood, CO 80113 USA. [Hammond, Flora M.] Rehabil Hosp Indiana, Indianapolis, IN USA. [Bell, Jeneita; Haarbauer-Krupa, Juliet] Natl Ctr Injury Prevent & Control, Traumat Brain Injury Team, Hlth Syst & Trauma Syst Branch, Div Unintent Injury Prevent,Ctr Dis Control & Pre, Atlanta, GA USA. [Corrigan, John] Ohio State Univ, Dept Phys Med & Rehabil, Columbus, OH 43210 USA. [Miller, A. Cate] US DOE, Natl Inst Disabil & Rehabil Res, Washington, DC 20585 USA. RP Harrison-Felix, C (reprint author), Craig Hosp, Res Dept, 3425 S Clarkson St, Englewood, CO 80113 USA. EM CHarrison-Felix@craighospital.org FU US Department of Health and Human Services (HHS) Centers for Disease Control and Prevention (CDC); US Department of Education's Office of Special Education and Rehabilitative Services, NIDRR; NIDRR [H133A110006]; Traumatic Brain Injury Model System Center from NIDRR [H133A120086, H133A120035] FX This research was supported by an interagency agreement between the US Department of Health and Human Services (HHS) Centers for Disease Control and Prevention (CDC), and the US Department of Education's Office of Special Education and Rehabilitative Services, NIDRR. Supplemental funding was provided to the NIDRR-funded Traumatic Brain Injury Model Systems National Data and Statistical Center (grant no. H133A110006). The research was also supported by Traumatic Brain Injury Model System Center grants from NIDRR to Ohio State University (grant no. H133A120086) and Indiana University (grant no. H133A120035). This article does not reflect the official policy or opinions of the CDC or the US Department of HHS and does not constitute an endorsement of the individuals or their programs - by CDC, HHS, or other components of the federal government - and none should be inferred. No commercial party having a direct financial interest in the results of the research supporting this article has or will confer a benefit upon the authors or upon any organization with which the authors are associated. This article is written in Dr. Miller's official capacity as part of the national conversation on education and does not necessarily represent the official views of the US Department of Education. The TBI Model Systems National Database is supported by NIDRR and created and maintained by the TBI Model Systems Centers Program. However, these contents do not necessarily reflect the opinions or views of the TBI Model Systems Centers, NIDRR or the US Department of Education. NR 28 TC 8 Z9 8 U1 1 U2 3 PU MARY ANN LIEBERT, INC PI NEW ROCHELLE PA 140 HUGUENOT STREET, 3RD FL, NEW ROCHELLE, NY 10801 USA SN 0897-7151 EI 1557-9042 J9 J NEUROTRAUM JI J. Neurotrauma PD DEC 1 PY 2015 VL 32 IS 23 SI SI BP 1893 EP 1901 DI 10.1089/neu.2014.3353 PG 9 WC Critical Care Medicine; Clinical Neurology; Neurosciences SC General & Internal Medicine; Neurosciences & Neurology GA CX4TW UT WOS:000365694200006 PM 25057965 ER PT J AU Zhang, GM Zhou, ZJ Mo, K Miao, YB Liu, X Almer, J Stubbins, JF AF Zhang, Guangming Zhou, Zhangjian Mo, Kun Miao, Yinbin Liu, Xiang Almer, Jonathan Stubbins, James F. TI The evolution of internal stress and dislocation during tensile deformation in a 9Cr ferritic/martensitic (F/M) ODS steel investigated by high-energy X-rays SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article DE Synchrotron XRD; Mean internal stress; Dislocation character; Dislocation density ID FERRITIC-MARTENSITIC STEELS; PROFILE ANALYSIS; STRAIN; DIFFRACTION; TEMPERATURE; DENSITY; EUROFER; ALLOY; FERRITE/MARTENSITE; NANOPARTICLES AB An application of high-energy wide angle synchrotron X-ray diffraction to investigate the tensile deformation of 9Cr ferritic/martensitic (F/M) ODS steel is presented. With tensile loading and in-situ Xray exposure, the lattice strain development of matrix was determined. The lattice strain was found to decrease with increasing temperature, and the difference in Young's modulus of six different reflections at different temperatures reveals the temperature dependence of elastic anisotropy. The mean internal stress was calculated and compared with the applied stress, showing that the strengthening factor increased with increasing temperature, indicating that the oxide nanoparticles have a good strengthening impact at high temperature. The dislocation density and character were also measured during tensile deformation. The dislocation density decreased with increasing of temperature due to the greater mobility of dislocation at high temperature. The dislocation character was determined by best-fit methods for different dislocation average contrasts with various levels of uncertainty. The results shows edge type dislocations dominate the plastic strain at room temperature (RT) and 300 degrees C, while the screw type dislocations dominate at 600 degrees C. The dominance of edge character in 9Cr F/M ODS steels at RT and 300 degrees C is likely due to the pinning effect of nanoparticles for higher mobile edge dislocations when compared with screw dislocations, while the stronger screw type of dislocation structure at 600 degrees C may be explained by the activated cross slip of screw segments. (C) 2015 Elsevier B.V. All rights reserved. C1 [Zhang, Guangming; Zhou, Zhangjian] Univ Sci & Technol, Sch Mat Sci & Engn, Beijing 100083, Peoples R China. [Zhang, Guangming; Miao, Yinbin; Liu, Xiang; Stubbins, James F.] Univ Illinois, Dept Nucl Plasma & Radiol Engn, Urbana, IL 61801 USA. [Mo, Kun] Argonne Natl Lab, Nucl Engn Div, Argonne, IL 60439 USA. [Almer, Jonathan] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. RP Zhou, ZJ (reprint author), Univ Sci & Technol, Sch Mat Sci & Engn, Beijing 100083, Peoples R China. EM zhouzhj@mater.ustb.edu.cn RI Liu, Xiang/D-2005-2017; OI Liu, Xiang/0000-0002-2634-1888; Miao, Yinbin/0000-0002-3128-4275 FU 973 DOE INL [120293]; U.S. Department of Energy [DEFG02-07ER46453, DE-FG02-07ER46471]; U.S. DOE [DE-AC02-06CH11357]; National Magnetic Confinement Fusion Program of China [2015GB121006] FX This work was supported by 973 DOE INL 120293. The TEM experiments were carried out in part in the Frederick Seitz Materials Research Laboratory Central Facilities, University of Illinois, which is partially supported by the U.S. Department of Energy under grants DEFG02-07ER46453 and DE-FG02-07ER46471. Argonne National Laboratory's work was supported by U.S. DOE under Contract No. DE-AC02-06CH11357. The authors also would like to express their thanks for the financial support of the National Magnetic Confinement Fusion Program of China under Grant No. 2015GB121006 for samples preparation. NR 36 TC 10 Z9 10 U1 1 U2 13 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD DEC PY 2015 VL 467 BP 50 EP 57 DI 10.1016/j.jnucmat.2015.09.014 PN 1 PG 8 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA CX3MJ UT WOS:000365602800005 ER PT J AU Chen, TY Smith, TA Gigax, JG Chen, D Balerio, R Shao, L Sencer, BH Kennedy, JR AF Chen, Tianyi Smith, Travis A. Gigax, Jonathan G. Chen, Di Balerio, Robert Shao, Lin Sencer, Bulent H. Kennedy, J. Rory TI Intermetallic formation and interdiffusion in diffusion couples made of uranium and single crystal iron SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article DE FCCI; Intermetallic; Grain boundaries; Interdiffusion coefficients; Kirkendall interface; Intrinsic diffusion coefficients ID ZR AB We studied the interfacial phase formation and diffusion kinetics in uraniumeiron diffusion couples. A comparison was made between polycrystalline uranium (U) bonded with polycrystalline iron (Fe-P) and polycrystalline uranium bonded with single crystalline Fe (Fe-SC). After thermal annealing at 575 degrees C, 600 degrees C, 625 degrees C and 650 degrees C, respectively, diffusion and microstructures at the interface were characterized by scanning electron microscopy and transmission electron miscopy. The presence of grain boundaries in iron has a significant influence on interface reactions. In comparison with U-Fe-P system, interdiffusion coefficients of the U-Fe-SC system are significantly lower and were governed by much higher activation energies. Integrated interdiffusion coefficients and intrinsic diffusion coefficients were obtained. The intrinsic diffusion coefficients show faster diffusion of iron atoms in both U6Fe and UFe2 intermetallic phases than uranium. (C) 2015 Published by Elsevier B.V. C1 [Chen, Tianyi; Smith, Travis A.; Gigax, Jonathan G.; Chen, Di; Balerio, Robert; Shao, Lin] Texas A&M Univ, Dept Nucl Engn, College Stn, TX 77843 USA. [Sencer, Bulent H.; Kennedy, J. Rory] Idaho Natl Lab, Mat & Nucl Fuel Performance, Idaho Falls, ID 83415 USA. RP Shao, L (reprint author), Texas A&M Univ, Dept Nucl Engn, College Stn, TX 77843 USA. EM lshao@tamu.edu OI Chen, Tianyi/0000-0003-2880-824X FU US Department of Energy under DOE-NE Idaho Operations Office [DE-AC07-05ID14517]; Advanced Test Reactor - National Scientific User Facility (ATR-NSUF); Center for Advanced Energy Studies - Microscopy and Characterization Suite (CAES-MaCS) FX This work was supported by the US Department of Energy under DOE-NE Idaho Operations Office Contract DE-AC07-05ID14517. The authors would like to thank Advanced Test Reactor - National Scientific User Facility (ATR-NSUF) and the Center for Advanced Energy Studies - Microscopy and Characterization Suite (CAES-MaCS) for the RTE award using CAES-MaCS facility. NR 24 TC 1 Z9 1 U1 2 U2 7 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD DEC PY 2015 VL 467 BP 82 EP 88 DI 10.1016/j.jnucmat.2015.05.026 PN 1 PG 7 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA CX3MJ UT WOS:000365602800008 ER PT J AU Um, W Yang, JS Serne, RJ Westsik, JH AF Um, Wooyong Yang, Jung-Seok Serne, R. Jeffrey Westsik, Joseph H. TI Reductive capacity measurement of waste forms for secondary radioactive wastes SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article DE Reductive capacity; Waste form; Blast furnace slag; Cast stone; Geopolymer; Ceramicrete ID IMMOBILIZATION; TECHNETIUM; SULFIDE AB The reductive capacities of dry ingredients and final solid waste forms were measured using both the Cr(VI) and Ce(IV) methods and the results were compared. Blast furnace slag (BFS), sodium sulfide, SnF2, and SnCl2 used as dry ingredients to make various waste forms showed significantly higher reductive capacities compared to other ingredients regardless of which method was used. Although the BFS exhibits appreciable reductive capacity, it requires greater amounts of time to fully react. In almost all cases, the Ce(IV) method yielded larger reductive capacity values than those from the Cr(VI) method and can be used as an upper bound for the reductive capacity of the dry ingredients and waste forms, because the Ce(IV) method subjects the solids to a strong acid (low pH) condition that dissolves much more of the solids. Because the Cr(VI) method relies on a neutral pH condition, the Cr(VI) method can be used to estimate primarily the waste form surface-related and readily dissolvable reductive capacity. However, the Cr(VI) method does not measure the total reductive capacity of the waste form, the long-term reductive capacity afforded by very slowly dissolving solids, or the reductive capacity present in the interior pores and internal locations of the solids. Published by Elsevier B.V. C1 [Um, Wooyong; Serne, R. Jeffrey; Westsik, Joseph H.] PNNL, Energy & Environm Directorate, Richland, WA 99354 USA. [Um, Wooyong] Pohang Univ Sci & Technol POSTECH, Div Adv Nucl Engn, Pohang 790784, South Korea. [Yang, Jung-Seok] Korea Inst Sci & Technol, Nat Prod Res Ctr, Kangnung 25451, South Korea. RP Um, W (reprint author), PNNL, Energy & Environm Directorate, 902 Battelle Blvd,P7-54, Richland, WA 99354 USA. EM Wooyong.um@pnnl.gov FU Washington River Protection Solutions, LLC, Richland, Washington; U.S. Department of Energy [DE-AC06-76RLO 1830] FX The authors acknowledge Washington River Protection Solutions, LLC, Richland, Washington for the project funding and programmatic guidance. We also acknowledge Steven Baum, Keith Geiszler, Cristian Iovin, Igor Kutnyakov, and Dennese Smith in the Geosciences group at PNNL for their analytical and laboratory support. Pacific Northwest National Laboratory is a multi-program national laboratory operated by Battelle Memorial Institute for the U.S. Department of Energy under contract DE-AC06-76RLO 1830. NR 27 TC 1 Z9 1 U1 4 U2 17 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD DEC PY 2015 VL 467 BP 251 EP 259 DI 10.1016/j.jnucmat.2015.09.045 PN 1 PG 9 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA CX3MJ UT WOS:000365602800027 ER PT J AU Deng, J Ko, H Demkowicz, P Morgan, D Szlufarska, I AF Deng, Jie Ko, Hyunseok Demkowicz, Paul Morgan, Dane Szlufarska, Izabela TI Grain boundary diffusion of Ag through polycrystalline SiC in TRISO fuel particles SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article DE Grain boundary diffusion; TRISO fuel particles; Fission product release ID FISSION-PRODUCT RELEASE; GAS-COOLED REACTORS; SILICON-CARBIDE; SILVER DIFFUSION; MICROSTRUCTURE; TRANSPORT; BEHAVIOR; IRRADIATION; PERFORMANCE; SIMULATION AB The effective diffusivity and release fraction of Ag in polycrystalline SiC are evaluated using a kinetic Monte Carlo model. The effects of various grain boundary network properties on the transport of Ag across the SiC layer have been examined, including fraction of grain boundary type, spread in grain boundary diffusivities and distribution of grain boundary types. It is shown that the effective diffusivity and release fraction of Ag can exhibit a large variability due to changes in the GB structure of SiC, and this variability is almost independent of temperature fluctuation. The present results suggest that the variation in properties of grain boundary networks in SiC may contribute to the spread in the Ag diffusivity and release fraction measured in TRISO particles. It is also found that the grain boundary diffusion alone may be insufficient to account for the Ag diffusivities and release fractions measured in integral release experiments. Additional factors such as irradiation and temperature distribution may also play an important role in Ag transport across the SiC layer. (C) 2015 Elsevier B.V. All rights reserved. C1 [Deng, Jie; Ko, Hyunseok; Morgan, Dane; Szlufarska, Izabela] Univ Wisconsin, Dept Mat Sci & Engn, Madison, WI 53706 USA. [Demkowicz, Paul] Idaho Natl Lab, Idaho Falls, ID 83414 USA. [Morgan, Dane; Szlufarska, Izabela] Univ Wisconsin, Dept Engn Phys, Madison, WI 53706 USA. RP Szlufarska, I (reprint author), Univ Wisconsin, Dept Mat Sci & Engn, 1509 Univ Ave, Madison, WI 53706 USA. EM szlufarska@wisc.edu FU DOE Office of Nuclear Energy's Nuclear Energy University Programs [00089350] FX This research is being performed using funding received from the DOE Office of Nuclear Energy's Nuclear Energy University Programs contract number 00089350. NR 39 TC 2 Z9 2 U1 5 U2 12 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD DEC PY 2015 VL 467 BP 332 EP 340 DI 10.1016/j.jnucmat.2015.09.054 PN 1 PG 9 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA CX3MJ UT WOS:000365602800035 ER PT J AU Chen, WY Miao, YB Wu, YQ Tomchik, CA Mo, K Gan, J Okuniewski, MA Maloy, SA Stubbins, JF AF Chen, Wei-Ying Miao, Yinbin Wu, Yaqiao Tomchik, Carolyn A. Mo, Kun Gan, Jian Okuniewski, Maria A. Maloy, Stuart A. Stubbins, James F. TI Atom probe study of irradiation-enhanced alpha ' precipitation in neutron-irradiated Fe-Cr model alloys (vol 462, pg 242, 2015) SO JOURNAL OF NUCLEAR MATERIALS LA English DT Correction C1 [Chen, Wei-Ying; Miao, Yinbin; Tomchik, Carolyn A.; Mo, Kun; Stubbins, James F.] Univ Illinois, Dept Nucl Plasma & Radiol Engn, Urbana, IL 61801 USA. [Wu, Yaqiao] Boise State Univ, Dept Mat Sci & Engn, Boise, ID 83725 USA. [Wu, Yaqiao] Ctr Adv Energy Studies, Idaho Falls, ID 83401 USA. [Gan, Jian; Okuniewski, Maria A.] Idaho Natl Lab, Idaho Falls, ID 83401 USA. [Maloy, Stuart A.] Los Alamos Natl Lab, Los Alamos, NM 87544 USA. RP Chen, WY (reprint author), Argonne Natl Lab, Nucl Engn Div, Argonne, IL 60439 USA. EM wychen@anl.gov RI Maloy, Stuart/A-8672-2009 OI Maloy, Stuart/0000-0001-8037-1319 NR 1 TC 0 Z9 0 U1 0 U2 7 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD DEC PY 2015 VL 467 BP 392 EP 392 DI 10.1016/j.jnucmat.2015.08.005 PN 1 PG 1 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA CX3MJ UT WOS:000365602800041 ER PT J AU Wu, Y Krstic, P Zhou, FY Meyer, F AF Wu, Yong Krstic, Predrag Zhou, Fu Yang Meyer, Fred TI Damage at a tungsten surface induced by impacts of self-atoms SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID MOLECULAR-DYNAMICS; DISPLACEMENT; HYDROGEN; SYSTEMS; ENERGY AB We study evolution of the surface defects of a 300 K tungsten surface due to the cumulative impact of 0.25-10 keV self-atoms. The simulation is performed by molecular dynamics with bond-order Tersoffform potentials. At all studied impact energies the computation shows strong defect-recombination effect of both created Frenkel pairs as well as recombination of the implanted atoms with the vacancies created by the sputtering. This leads to a saturation of the cumulative count of vacancies, evident at energies below 2 keV, as long as the implantation per impact atom exceeds sputtering and to a saturation of the interstitial count when production of the sputtered particles per impact atom becomes larger than 1 (in the energy range 2-4 keV). The number of cumulative defects is fitted as functions of impact fluence and energy, enabling their analytical extrapolation outside the studied range of parameters. (C) 2015 Elsevier B.V. All rights reserved. C1 [Wu, Yong] Inst Appl Phys & Computat Math, Data Ctr High Energy Dens Phys, Beijing 100088, Peoples R China. [Krstic, Predrag] SUNY Stony Brook, Inst Adv Computat Sci, Stony Brook, NY 11794 USA. [Zhou, Fu Yang] Univ Chinese Acad Sci, Coll Mat Sci & Optoelect Technol, Beijing 100049, Peoples R China. [Meyer, Fred] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. RP Krstic, P (reprint author), SUNY Stony Brook, Inst Adv Computat Sci, Stony Brook, NY 11794 USA. EM predrag.krstic@stonybrook.edu FU National Basic Research Program of China [2013CB922200]; National Natural Science Foundation of China [11474032]; LDRD program of Princeton Plasma Physics Laboratory [PPPL-044]; LDRD Program of Oak Ridge National Laboratory [LO6146] FX Y Wu acknowledges the supports of the National Basic Research Program of China under Grant No. 2013CB922200 and of National Natural Science Foundation of China under Grant No. 11474032. PSK acknowledges support of the LDRD program PPPL-044 of Princeton Plasma Physics Laboratory, managed by Princeton University, for the U.S. Department of Energy. FWM and PSK acknowledge support of the LDRD Program LO6146 of Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the U.S. Department of Energy. PSK acknowledges allocation of advanced computing resources provided by the National Science Foundation and U.S. Department of Energy, as well as of Handy computing cluster of Institute of Advanced Computational Science of the Stony Brook University. YW and FYZ acknowledge use of the "Dawning" supercomputer of the Institute of Applied Physics and Computational Mathematics, Beijing, China. NR 28 TC 1 Z9 1 U1 4 U2 9 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD DEC PY 2015 VL 467 BP 480 EP 487 DI 10.1016/j.jnucmat.2015.09.049 PN 1 PG 8 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA CX3MJ UT WOS:000365602800057 ER PT J AU Zhang, HX Ren, F Wang, YQ Hong, MQ Xiao, XH Qin, WJ Jiang, CZ AF Zhang, Hongxiu Ren, Feng Wang, Yongqiang Hong, Mengqing Xiao, Xiangheng Qin, Wenjing Jiang, Changzhong TI In situ TEM observation of helium bubble evolution in V/Ag multilayer during annealing SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID HE-IMPLANTED CU; GRAIN-BOUNDARIES; ION-IRRADIATION; RADIATION-DAMAGE; GAS-BUBBLES; METALS; COALESCENCE; TOLERANCE; MIGRATION; GROWTH AB Multilayers have been considered as promising candidates for nuclear materials. In this paper, an in situ study on the growth of helium bubbles during annealing was performed by transmission electron microscopy. Bubbles in the Ag layers grew rapidly by vacancy absorption mechanism and reached a size comparable to the layer thickness, whereas bubbles in the V layers evolved slowly due to the lower diffusion rate of vacancies and stopped growing at the size of 1.8 nm. The interfaces with more than one orientation relationship in the V/Ag multilayer contained pockets of excess volumes that can readily trap helium and exhibit high helium solubility. The interfaces prevent bubbles from growing into nearby layers. (C) 2015 Elsevier B.V. All rights reserved. C1 [Zhang, Hongxiu; Ren, Feng; Hong, Mengqing; Xiao, Xiangheng; Qin, Wenjing; Jiang, Changzhong] Wuhan Univ, Sch Phys & Technol, Ctr Ion Beam Applicat, Wuhan 430072, Peoples R China. [Zhang, Hongxiu; Ren, Feng; Hong, Mengqing; Xiao, Xiangheng; Qin, Wenjing; Jiang, Changzhong] Wuhan Univ, Ctr Elect Microscopy, Wuhan 430072, Peoples R China. [Wang, Yongqiang] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. RP Ren, F (reprint author), Wuhan Univ, Sch Phys & Technol, Ctr Ion Beam Applicat, Wuhan 430072, Peoples R China. EM fren@whu.edu.cn RI Ren, Feng/F-9778-2014; OI Ren, Feng/0000-0002-9557-5995; xiao, xiangheng/0000-0001-9111-1619 FU Natural Science Foundation of China [11522543, 11475129, 11175133, 91026014]; Foundations from Chinese Ministry of Education [NCET-13-0438]; Hubei Provincial Natural Science Foundation [2012FFA042]; Center for Integrated Nanotechnologies; DOE Nanoscience user facility; Laboratory Directed Research and Development Fund [20150567ER] FX The author thanks the Natural Science Foundation of China (11522543, 11475129, 11175133, 91026014), the Foundations from Chinese Ministry of Education (NCET-13-0438), Hubei Provincial Natural Science Foundation (2012FFA042) for financial support. Partial support for this investigation was also provided by Center for Integrated Nanotechnologies, a DOE Nanoscience user facility, jointly operated by Los Alamos and Sandia National Laboratories. YQW acknowledges the support of Laboratory Directed Research and Development Fund (No. 20150567ER) at Los Alamos National Laboratory. NR 48 TC 2 Z9 2 U1 8 U2 30 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD DEC PY 2015 VL 467 BP 537 EP 543 DI 10.1016/j.jnucmat.2015.10.017 PN 2 PG 7 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA CX3MR UT WOS:000365603600008 ER PT J AU Rose, MA Williamson, MA Willit, J AF Rose, M. A. Williamson, M. A. Willit, J. TI Investigation of residual anode material after electrorefining uranium in molten chloride salt SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID DISSOLUTION; ELECTROLYTE; ALLOY AB A buildup of material at uranium anodes during uranium electrorefining in molten chloride salts has been observed. Potentiodynamic testing has been conducted using a three electrode cell, with a uranium working electrode in both LiCl/KCl eutectic and LiCl each containing similar to 5 mol% UCl3. The anodic current response was observed at 50 degrees intervals between 450 degrees C and 650 degrees C in the eutectic salt. These tests revealed a buildup of material at the anode in LiCl/KCl salt, which was sampled at room temperature, and analyzed using ICP-MS, XRD and SEM techniques. Examination of the analytical data, current response curves and published phase diagrams has established that as the uranium anode dissolves, the U3+ ion concentration in the diffusion layer surrounding the electrode rises precipitously to levels, which may at low temperatures exceed the solubility limit for UCl3 or in the case of the eutectic salt for K2UCl5. The reduction in current response observed at low temperature in eutectic salt is eliminated at 650 degrees C, where K2UCl5 is absent due to its congruent melting and only simple concentration polarization effects are seen. In LiCl similar concentration effects are seen though significantly longer time at applied potential is required to effect a reduction in the current response as compared to the eutectic salt. (C) 2015 Elsevier B.V. All rights reserved. C1 [Rose, M. A.] Purdue Univ, Dept Nucl Engn, W Lafayette, IN 47907 USA. [Rose, M. A.; Williamson, M. A.; Willit, J.] Argonne Natl Lab, Nucl Engn Div, Argonne, IL 60439 USA. RP Rose, MA (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM marose@anl.gov FU U.S. Department of Energy, National Nuclear Security Administration's (NNSA's) Office of Defense Nuclear Nonproliferation [DE-AC02-06CH11357] FX The authors acknowledge the technical discussion of this paper with Perry Motsegood and Magdalena Tylka. The authors also acknowledge Terry Cruse for his help in SEM sample preparation and analysis. This work was supported by the U.S. Department of Energy, National Nuclear Security Administration's (NNSA's) Office of Defense Nuclear Nonproliferation, under Contract DE-AC02-06CH11357. Argonne National Laboratory is operated for the U.S. Department of Energy by UChicago Argonne, LLC. NR 9 TC 0 Z9 0 U1 3 U2 10 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD DEC PY 2015 VL 467 BP 576 EP 581 DI 10.1016/j.jnucmat.2015.10.015 PN 2 PG 6 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA CX3MR UT WOS:000365603600013 ER PT J AU Kuhudzai, RJ Malherbe, JB Hlatshwayo, TT van der Berg, NG Devaraj, A Zhu, Z Nandasiri, M AF Kuhudzai, R. J. Malherbe, J. B. Hlatshwayo, T. T. van der Berg, N. G. Devaraj, A. Zhu, Z. Nandasiri, M. TI Synergistic effects of iodine and silver ions co-implanted in 6H-SiC SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID COATED PARTICLE FUEL; SILICON-CARBIDE; RADIATION-DAMAGE; AG DIFFUSION; NEAR-SURFACE; BEHAVIOR; TEMPERATURE; MECHANISMS; TRANSPORT; RELEASE AB Motivated by the aim of understanding the release of fission products through the SiC coating of fuel kernels in modern high temperature nuclear reactors, a fundamental investigation is conducted to understand the synergistic effects of implanted silver (Ag) and iodine (I) in 6H-SiC. The implantation of the individual species, as well as the co-implantation of 360 keV ions of I and Ag at room temperature in 6H-SiC and their subsequent annealing behaviour has been investigated by Secondary Ion Mass Spectrometry (SIMS), Atom Probe Tomography (APT) and X-ray Photoelectron Spectroscopy (XPS). SIMS and APT measurements indicated the presence of Ag in the co-implanted samples after annealing at 1500 degrees C for 30 h in sharp contrast to the samples implanted with Ag only. In samples implanted with Ag only, complete loss of the implanted Ag was observed. However, for I only implanted samples, some iodine was retained. APT of annealed co-implanted 6H-SiC showed clear spatial association of Ag and I clusters in SiC, which can be attributed to the observed I assisted retention of Ag after annealing. Such detailed studies will be necessary to identify the fundamental mechanism of fission products migration through SiC coatings. (C) 2015 Elsevier B.V. All rights reserved. C1 [Kuhudzai, R. J.; Malherbe, J. B.; Hlatshwayo, T. T.; van der Berg, N. G.] Univ Pretoria, Dept Phys, Pretoria, South Africa. [Devaraj, A.; Zhu, Z.; Nandasiri, M.] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. RP Kuhudzai, RJ (reprint author), Univ Pretoria, Dept Phys, Pretoria, South Africa. EM rj.kuhudzai@tuks.co.za RI Zhu, Zihua/K-7652-2012 FU Department of Energy's Office of Biological and Environmental Research; Department of Research and Innovation Support, University of Pretoria FX A portion of the research was performed using EMSL, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory. Thanks are also due to Prof. E. Friedland, Dr S. Thevuthasan and Dr. W. Mtangi for the useful discussions, Dr E. Wendler for facilitating the ion implantations and The Department of Research and Innovation Support, University of Pretoria for the funding. NR 41 TC 0 Z9 0 U1 4 U2 16 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD DEC PY 2015 VL 467 BP 582 EP 587 DI 10.1016/j.jnucmat.2015.10.029 PN 2 PG 6 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA CX3MR UT WOS:000365603600014 ER PT J AU McMurray, JW Hirooka, S Murakami, T Suzuki, K White, JT Voit, SL Nelson, AT Slone, BW Besmann, TM McClellan, KJ Kato, M AF McMurray, J. W. Hirooka, S. Murakami, T. Suzuki, K. White, J. T. Voit, S. L. Nelson, A. T. Slone, B. W. Besmann, T. M. McClellan, K. J. Kato, M. TI Thermodynamic assessment of the oxygen rich U-Ce-O system SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article DE UO2 +/- x; Uranium; Cerium; Oxygen; Compound energy formalism; Calphad; Oxygen potential; Phase equilibria ID OXIDE; NONSTOICHIOMETRY; OXIDATION; BEHAVIOR; FUELS AB A thermodynamic assessment of the U-Ce-O system was performed by combining the existing Calphad assessments of the U-O and Ce-O binaries. A compound energy formalism representation for the fluorite U1-yCeyO2 +/- x and a partially ionic two-sublattice liquid model for U-Ce-O melt were developed to describe the ternary solutions. Oxygen potentials for U1-yCeyO2 +/- x for 0.05, 0.20, 0.30, and 0.50 Ce metal fractions were measured from thermogravimetric analysis and used, along with other thermodynamic data reported in the literature, to optimize the adjustable parameters of the models for U1-yCeyO2 +/- x and the U-Ce-O ternary liquid. In addition, the thermochemical behavior of U1-yCeyO2 +/- x and U1-yPuyO2 +/- x was compared in order to assess the suitability of using Ce as a surrogate for Pu in MOX fuel. (C) 2015 Elsevier B.V. All rights reserved. C1 [McMurray, J. W.; Slone, B. W.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Hirooka, S.; Murakami, T.; Suzuki, K.; Kato, M.] Japan Atom Energy Agcy, Fuel Technol Dept, Plutonium Fuel Dev Ctr, Nucl Fuel Cycle Engn Labs, Tokai, Ibaraki 3191194, Japan. [White, J. T.; Voit, S. L.; Nelson, A. T.; McClellan, K. J.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Besmann, T. M.] Univ S Carolina, Coll Engn & Comp, Dept Mech Engn, Columbia, SC 29208 USA. RP McMurray, JW (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. EM mcmurrayjw1@ornl.gov OI McMurray, Jacob/0000-0001-5111-3054; Nelson, Andrew/0000-0002-4071-3502 FU US Department of Energy, Office of Nuclear Energy Fuel Cycle Technology Program FX The authors would like to thank Ryan Cooper and Yan Zhou of Oak Ridge National Laboratory for helpful comments. The authors would also like to acknowledge John Dunwoody and Darrin Byler for assistance with sample preparation at LANL. The work was supported by the US Department of Energy, Office of Nuclear Energy Fuel Cycle Technology Program. NR 41 TC 4 Z9 4 U1 6 U2 21 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD DEC PY 2015 VL 467 BP 588 EP 600 DI 10.1016/j.jnucmat.2015.10.008 PN 2 PG 13 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA CX3MR UT WOS:000365603600015 ER PT J AU Park, JY Kim, IH Motta, AT Ulmer, CJ Kirk, MA Ryan, EA Baldo, PM AF Park, Jeong-Yong Kim, Il-Hyun Motta, Arthur T. Ulmer, Christopher J. Kirk, Marquis A., Jr. Ryan, Edward A. Baldo, Peter M. TI Irradiation-induced disordering and amorphization of Al3Ti-based intermetallic compounds SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID ELECTRON-IRRADIATION; TEMPERATURE; L12; OXIDATION; ALLOYS; AL3TI; DO22 AB An in situ ion-irradiation study, simultaneously examined using transmission electron microscopy, was performed to investigate irradiation-induced disordering and amorphization of Al3Ti-based intermetallic compounds. Thin foil samples of two crystalline structures: D0(22)-structured Al3Ti and L1(2)-structured (Al,Cr)(3)Ti were irradiated using 1.0 MeV Kr ions at a temperature range from 40 K to 573 K to doses up to 4.06 x 10(15) ions/cm(2). The results showed that both the compounds underwent an order-disorder transformation under irradiation, where both Al3Ti and (Al,Cr)(3)Ti ordered structures were fully transformed to the disordered face-centered cubic (FCC) structure except at the highest irradiation temperature of 573 K. A slightly higher irradiation dose was required for order-disorder transformation in case of Al3Ti as compared to (Al,Cr)(3)Ti at a given temperature. However, their amorphization resistances were different: while the disordered FCC (Al,Cr)(3)Ti amorphized at the irradiation dose of 6.25 x 10(14) ions/cm(2) (0.92 dpa) at 40 K and 100 K, the Al3Ti compound with the same disordered FCC structure maintained crystallinity up to 4.06 x 10(15) ions/cm(2) (5.62 dpa) at 40 K. The critical temperature for amorphization of (Al,Cr)(3)Ti under Kr ion irradiation is likely between 100 K and room temperature and the critical temperature for disordering between room temperature and 573 K. (C) 2015 Elsevier B.V. All rights reserved. C1 [Park, Jeong-Yong; Kim, Il-Hyun] Korea Atom Energy Res Inst, LWR Fuel Technol Div, Taejon 305353, South Korea. [Motta, Arthur T.; Ulmer, Christopher J.] Penn State Univ, Dept Mech & Nucl Engn, University Pk, PA 16802 USA. [Kirk, Marquis A., Jr.; Ryan, Edward A.; Baldo, Peter M.] Argonne Natl Lab, Nucl Engn Div, Elect Microscopy Ctr, Argonne, IL 60439 USA. RP Park, JY (reprint author), Korea Atom Energy Res Inst, LWR Fuel Technol Div, 989-111 Daedeok Daero, Taejon 305353, South Korea. EM parkjy@kaeri.re.kr NR 21 TC 0 Z9 0 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD DEC PY 2015 VL 467 BP 601 EP 606 DI 10.1016/j.jnucmat.2015.10.025 PN 2 PG 6 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA CX3MR UT WOS:000365603600016 ER PT J AU Dong, Y Sencer, BH Garner, FA Marquis, EA AF Dong, Y. Sencer, B. H. Garner, F. A. Marquis, E. A. TI Microchemical and microstructural evolution of AISI 304 stainless steel irradiated in EBR-II at PWR-relevant dpa rates SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article DE 304 stainless steel; Neutron irradiation; Void swelling; Precipitation; Segregation; Atom probe tomography ID RADIATION-INDUCED SEGREGATION; AUSTENITIC STAINLESS-STEELS; GIBBSIAN INTERFACIAL EXCESS; GRAIN-BOUNDARY SEGREGATION; 3-DIMENSIONAL ATOM-PROBE; NEUTRON-IRRADIATION; DISPLACEMENT RATES; SOLUTE SEGREGATION; PHASE-STABILITY; TERNARY ALLOYS AB AISI 304 stainless steel was irradiated at 416 degrees C and 450 degrees C at a 4.4 x 10(-9) and 3.05 x 10(-7) dpa/s to similar to 0.4 and similar to 28 dpa, respectively, in the reflector of the EBR-II fast reactor. Both unirradiated and irradiated conditions were examined using standard and scanning transmission electron microscopy, energy dispersive spectroscopy, and atom probe tomography on very small specimens produced by focused ion beam milling. These results are compared with previous electron microscopy examination of 3 mm disks from essentially the same material. By comparing a very low dose specimen with a much higher dose specimen, both derived from a single reactor assembly, it has been demonstrated that the coupled microstructural and microchemical evolution of dislocation loops and other sinks begins very early, with elemental segregation producing at these sinks what appears to be measurable precursors to fully formed precipitates found at higher doses. The nature of these sinks and their possible precursors are examined in detail. (C) 2015 Elsevier B.V. All rights reserved. C1 [Dong, Y.; Marquis, E. A.] Univ Michigan, Dept Mat Sci & Engn, Ann Arbor, MI 48109 USA. [Sencer, B. H.] Idaho Natl Lab, Idaho Falls, ID 83402 USA. [Garner, F. A.] Radiat Effects Consulting, Richland, WA 99354 USA. RP Marquis, EA (reprint author), Univ Michigan, Dept Mat Sci & Engn, Ann Arbor, MI 48109 USA. EM emarq@umich.edu RI Marquis, Emmanuelle/O-5647-2014 OI Marquis, Emmanuelle/0000-0002-6476-2835 FU Advanced Test Reactor National Scientific User Facility U.S. Department of Energy, Office of Nuclear Energy under DOE Idaho Operations Office [DE-AC07-051D14517] FX This work was supported by the Advanced Test Reactor National Scientific User Facility U.S. Department of Energy, Office of Nuclear Energy under DOE Idaho Operations Office Contract DE-AC07-051D14517. The authors are grateful for the strong support of Paula Freyer of Westinghouse Electric Company in Pittsburgh to prepare and ship both unirradiated and irradiated specimens to the Center of Advanced Energy Studies (CAES) and to Joanna Taylor of CAES for her assistance with handling these specimens. NR 77 TC 2 Z9 2 U1 7 U2 21 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD DEC PY 2015 VL 467 BP 692 EP 702 DI 10.1016/j.jnucmat.2015.10.041 PN 2 PG 11 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA CX3MR UT WOS:000365603600026 ER PT J AU Yamamoto, Y Pint, BA Terrani, KA Field, KG Yang, Y Snead, LL AF Yamamoto, Y. Pint, B. A. Terrani, K. A. Field, K. G. Yang, Y. Snead, L. L. TI Development and property evaluation of nuclear grade wrought FeCrAl fuel cladding for light water reactors SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article DE Nuclear grade; Wrought; FeCrAl; Accident tolerant fuel cladding; LWR ID CR-AL ALLOYS; HIGH-TEMPERATURE OXIDATION; ACCIDENT-TOLERANT FUELS; ALUMINA-FORMING ALLOYS; STAINLESS-STEELS; CANDIDATE MATERIALS; MARTENSITIC STEELS; NORMAL OPERATION; STEAM; EMBRITTLEMENT AB Development of nuclear grade, iron-based wrought FeCrAl alloys has been initiated for light water reactor (LWR) fuel cladding to serve as a substitute for zirconium-based alloys with enhanced accident tolerance. Ferritic alloys with sufficient chromium and aluminum additions can exhibit significantly improved oxidation kinetics in high-temperature steam environments when compared to zirconium-based alloys. In the first phase, a set of model FeCrAl alloys containing 10-20Cr, 3-5Al, and 0-0.12Y in weight percent, were prepared by conventional arc-melting and hot-working processes to explore the effect of composition on the properties of FeCrAlY alloys. It was found that the tensile properties were insensitive to the alloy compositions studied; however, the steam oxidation resistance strongly depended on both the chromium and the aluminum contents. The second phase development focused on strengthening Fe-13Cr-5Al with minor alloying additions of molybdenum, niobium, and silicon. Combined with an optimized thermo-mechanical treatment, a thermally stable microstructure was produced with improved tensile properties at temperatures up to 741 degrees C. (C) 2015 Elsevier B.V. All rights reserved. C1 [Yamamoto, Y.; Pint, B. A.; Terrani, K. A.; Field, K. G.; Yang, Y.; Snead, L. L.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Yamamoto, Y (reprint author), Oak Ridge Natl Lab, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM yamamotoy@ornl.gov RI Pint, Bruce/A-8435-2008; Yang, Ying/E-5542-2017 OI Pint, Bruce/0000-0002-9165-3335; Yang, Ying/0000-0001-6480-2254 FU U.S. Department of Energy's Office of Nuclear Energy, Advanced Fuel Campaign of the Fuel Cycle RD program; Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy FX Authors would like to acknowledge D. Harper, G. Cox, J. Mayotte, T. Geer, E. Manneschmidt, and A. Zinkle for their technical support, and D. Hoelzer and S. Dryepondt for their fruitful discussions. This research was funded by the U.S. Department of Energy's Office of Nuclear Energy, Advanced Fuel Campaign of the Fuel Cycle R&D program. ORNL's Center for Nanophase Materials Sciences, CNMS, which is sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy, is also acknowledged. NR 51 TC 10 Z9 10 U1 8 U2 28 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD DEC PY 2015 VL 467 BP 703 EP 716 DI 10.1016/j.jnucmat.2015.10.019 PN 2 PG 14 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA CX3MR UT WOS:000365603600027 ER PT J AU Aitkaliyeva, A Madden, JW Miller, BD Papesch, CA Cole, JI AF Aitkaliyeva, Assel Madden, James W. Miller, Brandon D. Papesch, Cynthia A. Cole, James I. TI TEM examination of phases formed between U-Pu-Zr fuel and Fe SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article DE Metal fuel; U-Pu-Zr; Fuel-cladding chemical interaction (FCCI) ID CONSTITUENT REDISTRIBUTION; ZIRCONIUM; ALLOYS; INTERDIFFUSION; TEMPERATURES; SYSTEM AB Exposure to high temperatures and irradiation results in interaction and interdiffusion between fuel and cladding constituents that can lead to formation of undesirable brittle or low-melting point phases. A diffusion couple study has been conducted to understand fuel-cladding interaction occurring between U-22Pu-4Zr (in wt%) fuel and pure Fe at elevated temperatures. The phases formed within fuel cladding chemical interaction (FCCI) layer have been characterized in the transmission electron microscope (TEM). The phases formed within FCCI layer have been identified as Fe2U (Fd-3m), FeU6 (I4/mcm), Fe2Zr (Fd-3m), FeZr2 (I4/mcm), Fe2Pu (Fd-3m), UZr2 (P6/mmm), beta-Zr (Im-3m), and ZrO2 (Fm-3m). Published by Elsevier B.V. C1 [Aitkaliyeva, Assel; Madden, James W.; Miller, Brandon D.; Papesch, Cynthia A.; Cole, James I.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Aitkaliyeva, A (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA. EM assel.aitkaliyeva@inl.gov OI Aitkaliyeva, Assel/0000-0003-1481-6804; Cole, James/0000-0003-1178-5846 FU U.S. Department of Energy, under DOE Idaho Operations Office [DE-AC07-05ID14517]; Fuel Cycle Research and Development (FCRD) program of US Department of Energy; Nuclear Science User Facilities (NSUF) FX This work is supported by the U.S. Department of Energy, under DOE Idaho Operations Office Contract DE-AC07-05ID14517, as part of Fuel Cycle Research and Development (FCRD) program of US Department of Energy and Nuclear Science User Facilities (NSUF). NR 20 TC 0 Z9 0 U1 4 U2 5 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD DEC PY 2015 VL 467 BP 717 EP 723 DI 10.1016/j.jnucmat.2015.10.043 PN 2 PG 7 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA CX3MR UT WOS:000365603600028 ER PT J AU Whiting, CE Du, MT Felker, LK Wham, RM Barklay, CD Kramer, DP AF Whiting, Christofer E. Du, Miting Felker, L. Kevin Wham, Robert M. Barklay, Chadwick D. Kramer, Daniel P. TI Kinetics of the high temperature oxygen exchange reaction on (PuO2)-Pu-238 powder SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article DE Oxygen exchange; Kinetics; Internal chemical reaction; Surface exchange; Surface mobility; Plutonium (IV) oxide ID CHEMICAL THERMODYNAMIC REPRESENTATION; OXIDE SURFACES; CERIA NANOPARTICLES; ISOTOPIC EXCHANGE; CERIUM(IV) OXIDE; CEO2; CATALYSTS; DIFFUSION; ACTIVATION; U1-ZPUZOW AB Oxygen exchange reactions performed on PuO2 suggest the reaction is influenced by at least three mechanisms: an internal chemical reaction, surface mobility of active species/defects, and surface exchange of gaseous oxygen with lattice oxygen. Activation energies for the surface mobility and internal chemical reaction are presented. Determining which mechanism is dominant appears to be a complex function including at least specific surface area and temperature. Thermal exposure may also impact the oxygen exchange reaction by causing reductions in the specific surface area of PuO2. Previous CeO2 surrogate studies exhibit similar behavior, confirming that CeO2 is a good qualitative surrogate for PuO2, in regards to the oxygen exchange reaction. Comparison of results presented here with previous work on the PuO2 oxygen exchange reaction allows complexities in the previous work to be explained. These explanations allowed new conclusions to be drawn, many of which confirm the conclusions presented here. (C) 2015 Elsevier B.V. All rights reserved. C1 [Whiting, Christofer E.; Barklay, Chadwick D.; Kramer, Daniel P.] Univ Dayton, Res Inst, Dayton, OH 45469 USA. [Du, Miting; Felker, L. Kevin; Wham, Robert M.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Whiting, CE (reprint author), Univ Dayton, Res Inst, 300 Coll Pk, Dayton, OH 45469 USA. EM chris.whiting@udri.udayton.edu OI Whiting, Christofer/0000-0001-8754-2133 FU U.S. Department of Energy [DE-NE0000422, DE-AC0500OR22725] FX The University of Dayton Research Institute was funded by the U.S. Department of Energy under contract #: DE-NE0000422. Oak Ridge National Laboratory was funded by the U.S. Department of Energy under contract #: DE-AC0500OR22725. The authors would like to acknowledge Raymond Vedder from Oak Ridge National Laboratory for some technical assistance with performing the oxygen exchange experiments. Additional thanks goes to Dr. Michael Stoll and Lia Brodnax of Los Alamos National Laboratory for useful discussions regarding the impacts of this work to the 238PuO2 heat source program. NR 46 TC 0 Z9 0 U1 3 U2 8 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD DEC PY 2015 VL 467 BP 770 EP 777 DI 10.1016/j.jnucmat.2015.10.020 PN 2 PG 8 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA CX3MR UT WOS:000365603600033 ER PT J AU Moore, AP Beeler, B Deo, C Baskes, MI Okuniewski, MA AF Moore, A. P. Beeler, B. Deo, C. Baskes, M. I. Okuniewski, M. A. TI Atomistic modeling of high temperature uranium-zirconium alloy structure and thermodynamics SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID EMBEDDED-ATOM METHOD; METHOD INTERATOMIC POTENTIALS; U-ZR ALLOYS; 1ST PRINCIPLES CALCULATIONS; MONTE-CARLO SIMULATION; CRYSTAL ELASTIC MODULI; POINT-DEFECT DIFFUSION; HEAT-CAPACITY; TRANSITION-METALS; THERMOPHYSICAL PROPERTIES AB A semi-empirical Modified Embedded Atom Method (MEAM) potential is developed for application to the high temperature body-centered-cubic uranium-zirconium alloy (gamma-U-Zr) phase and employed with molecular dynamics (MD) simulations to investigate the high temperature thermo-physical properties of U-Zr alloys. Uranium-rich U-Zr alloys (e.g. U-10Zr) have been tested and qualified for use as metallic nuclear fuel in U.S. fast reactors such as the Integral Fast Reactor and the Experimental Breeder Reactors, and are a common sub-system of ternary metallic alloys like U-Pu-Zr and U-Zr-Nb. The potential was constructed to ensure that basic properties (e.g., elastic constants, bulk modulus, and formation energies) were in agreement with first principles calculations and experimental results. After which, slight adjustments were made to the potential to fit the known thermal properties and thermodynamics of the system. The potentials successfully reproduce the experimental melting point, enthalpy of fusion, volume change upon melting, thermal expansion, and the heat capacity of pure U and Zr. Simulations of the U-Zr system are found to be in good agreement with experimental thermal expansion values, Vegard's law for the lattice constants, and the experimental enthalpy of mixing. This is the first simulation to reproduce the experimental thermodynamics of the high temperature gamma-U-Zr metallic alloy system. The MEAM potential is then used to explore thermodynamics properties of the high temperature U-Zr system including the constant volume heat capacity, isothermal compressibility, adiabatic index, and the Gruneisen parameters. Published by Elsevier B.V. C1 [Moore, A. P.; Beeler, B.; Deo, C.] Georgia Inst Technol, Atlanta, GA 30332 USA. [Beeler, B.] Univ Calif Davis, Davis, CA 95616 USA. [Baskes, M. I.] Mississippi State Univ, Mississippi State, MS 39762 USA. [Baskes, M. I.] Univ Calif San Diego, La Jolla, CA 92093 USA. [Baskes, M. I.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Okuniewski, M. A.] Purdue Univ, W Lafayette, IN 47907 USA. [Okuniewski, M. A.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Moore, AP (reprint author), Georgia Inst Technol, 770 State St, Atlanta, GA 30332 USA. EM amoore31@gatech.edu FU Idaho National Laboratory (INL) FX Many thanks to Idaho National Laboratory (INL) for their financial support and to the computational materials group at the University of Wisconsin for their DOS data for the gamma-U-Zr alloys. NR 230 TC 1 Z9 1 U1 8 U2 28 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD DEC PY 2015 VL 467 BP 802 EP 819 DI 10.1016/j.jnucmat.2015.10.016 PN 2 PG 18 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA CX3MR UT WOS:000365603600036 ER PT J AU Jung, D Albright, BJ Yin, L Gautier, DC Dromey, B Shah, R Palaniyappan, S Letzring, S Wu, HC Shimada, T Johnson, RP Habs, D Roth, M Fernandez, JC Hegelich, BM AF Jung, D. Albright, B. J. Yin, L. Gautier, D. C. Dromey, B. Shah, R. Palaniyappan, S. Letzring, S. Wu, H. -C. Shimada, T. Johnson, R. P. Habs, D. Roth, M. Fernandez, J. C. Hegelich, B. M. TI Scaling of ion energies in the relativistic-induced transparency regime SO LASER AND PARTICLE BEAMS LA English DT Article DE Laser-driven acceleration; Laser-plasma interactions; Laser-produced plasma; Particle-in-cell method; Plasma simulation ID PROTON-BEAMS; LASER-PULSES; THIN FOIL; ACCELERATION; ELECTRON; DYNAMICS; DRIVEN; IGNITION; TARGETS; PLASMAS AB Experimental data are presented showing maximum carbon C6+ ion energies obtained from nm-scaled targets in the relativistic transparent regime for laser intensities between 9 x 10(19) and 2 x 10(21) W/cm(2). When combined with two-dimensional particle-in-cell simulations, these results show a steep linear scaling for carbon ions with the normalized laser amplitude a(0) (a(0) proportional to root(1)). The results are in good agreement with a semi-analytic model that allows one to calculate the optimum thickness and the maximum ion energies as functions of a(0) and the laser pulse duration for ion acceleration in the relativistic-induced transparency regime. Following our results, ion energies exceeding 100 MeV/amu may be accessible with currently available laser systems. C1 [Jung, D.; Albright, B. J.; Yin, L.; Gautier, D. C.; Shah, R.; Palaniyappan, S.; Letzring, S.; Wu, H. -C.; Shimada, T.; Johnson, R. P.; Fernandez, J. C.; Hegelich, B. M.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Jung, D.; Dromey, B.] Queens Univ Belfast, Ctr Plasma Phys, Belfast BT7 1NN, Antrim, North Ireland. [Roth, M.] Tech Univ Darmstadt, Dept Phys, D-64289 Darmstadt, Germany. [Habs, D.] Univ Munich, Dept Phys, D-85748 Garching, Germany. RP Jung, D (reprint author), Queens Univ Belfast, Ctr Plasma Phys, Belfast BT7 1NN, Antrim, North Ireland. EM daniel.jung@outlook.com RI Fernandez, Juan/H-3268-2011; OI Fernandez, Juan/0000-0002-1438-1815; Albright, Brian/0000-0002-7789-6525; Yin, Lin/0000-0002-8978-5320 FU DOE OFES; Deutsche Forschungsgemeinschaft (DFG) Transregio [SFB TR18] FX We are grateful for the support of the Trident laser team. The VPIC simulations were run on the LANL Roadrunner supercomputer. Work was supported by: DOE OFES, Deutsche Forschungsgemeinschaft (DFG) Transregio SFB TR18, Cluster of Excellence (MAP). Work performed under the auspices of the U.S. Department of Energy by the Los Alamos National Security, LLC, Los Alamos National Laboratory. NR 50 TC 3 Z9 3 U1 3 U2 14 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0263-0346 EI 1469-803X J9 LASER PART BEAMS JI Laser Part. Beams PD DEC PY 2015 VL 33 IS 4 BP 695 EP 703 DI 10.1017/S0263034615000828 PG 9 WC Physics, Applied SC Physics GA CX5HC UT WOS:000365731700012 ER PT J AU Finnell, J AF Finnell, Joshua TI Hunters in the Dark SO LIBRARY JOURNAL LA English DT Book Review C1 [Finnell, Joshua] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Finnell, J (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. NR 1 TC 0 Z9 0 U1 0 U2 0 PU REED BUSINESS INFORMATION PI NEW YORK PA 360 PARK AVENUE SOUTH, NEW YORK, NY 10010 USA SN 0363-0277 J9 LIBR J JI Libr. J. PD DEC PY 2015 VL 140 IS 20 BP 122 EP 124 PG 3 WC Information Science & Library Science SC Information Science & Library Science GA CX2XG UT WOS:000365559500105 ER PT J AU Uphoff, H AF Uphoff, Heidi TI The Hundred-Year Walk: An Armenian Odyssey SO LIBRARY JOURNAL LA English DT Book Review C1 [Uphoff, Heidi] Sandia Natl Labs, Albuquerque, NM 87123 USA. RP Uphoff, H (reprint author), Sandia Natl Labs, Albuquerque, NM 87123 USA. NR 1 TC 0 Z9 0 U1 0 U2 0 PU REED BUSINESS INFORMATION PI NEW YORK PA 360 PARK AVENUE SOUTH, NEW YORK, NY 10010 USA SN 0363-0277 J9 LIBR J JI Libr. J. PD DEC PY 2015 VL 140 IS 20 BP 145 EP 145 PG 1 WC Information Science & Library Science SC Information Science & Library Science GA CX2XG UT WOS:000365559500193 ER PT J AU Clowers, KJ Will, JL Gasch, AP AF Clowers, Katie J. Will, Jessica L. Gasch, Audrey P. TI A unique ecological niche fosters hybridization of oak-tree and vineyard isolates of Saccharomyces cerevisiae SO MOLECULAR ECOLOGY LA English DT Article DE allele-specific expression; ecological divergence; environmental stress; hybridization ID DNA-SEQUENCING DATA; REPRODUCTIVE ISOLATION; GENE-EXPRESSION; SPORULATION EFFICIENCY; NATURAL-POPULATIONS; CLIMATE-CHANGE; YEAST; GENOME; ENVIRONMENTS; ADAPTATION AB Differential adaptation to distinct niches can restrict gene flow and promote population differentiation within a species. However, in some cases the distinction between niches can collapse, forming a hybrid niche with features of both environments. We previously reported that distinctions between vineyards and oak soil present an ecological barrier that restricts gene flow between lineages of Saccharomyces cerevisiae. Vineyard isolates are tolerant to stresses associated with grapes while North American oak strains are particularly tolerant to freeze-thaw cycles. Here, we report the isolation of S.cerevisiae strains from Wisconsin cherry trees, which display features common to vineyards (e.g. high sugar concentrations) and frequent freeze-thaw cycles. Genome sequencing revealed that the isolated strains are highly heterozygous and represent recent hybrids of the oakxvineyard lineages. We found that the hybrid strains are phenotypically similar to vineyard strains for some traits, but are more similar to oak strains for other traits. The cherry strains were exceptionally good at growing in cherry juice, raising the possibility that they have adapted to this niche. We performed transcriptome profiling in cherry, oak and vineyard strains and show that the cherry-tree hybrids display vineyard-like or oak-like expression, depending on the gene sets, and in some cases, the expression patterns linked back to shared stress tolerances. Allele-specific expression in these natural hybrids suggested concerted cis-regulatory evolution at sets of functionally regulated genes. Our results raise the possibility that hybridization of the two lineages provides a genetic solution to the thriving in this unique niche. C1 [Clowers, Katie J.; Will, Jessica L.; Gasch, Audrey P.] Univ Wisconsin, Genet Lab, Madison, WI 53706 USA. [Gasch, Audrey P.] Great Lakes Bioenergy Res Ctr, Madison, WI 53704 USA. RP Gasch, AP (reprint author), Univ Wisconsin, Genet Lab, 425-G Henry Mall, Madison, WI 53706 USA. EM agasch@wisc.edu FU Department of Energy (DOE) Great Lakes Bioenergy Research Center (DOE Office of Biological and Environmental Research Office of Science) [DE-FC02-07ER64494]; National Institutes of Health [T32HG002760]; UW-Madison Genetics Program [T32GM007133-36, T32GM007133-39]; SciMed Graduate Research Scholars FX We thank Justin Fay for strains and James Hose and Justin Heilberger for experimental support. This work was supported in part by the Department of Energy (DOE) Great Lakes Bioenergy Research Center (DOE Office of Biological and Environmental Research Office of Science) (DE-FC02-07ER64494). KJC was supported by a National Institutes of Health fellowship to the Genomics Sciences Training Program (T32HG002760) and to the UW-Madison Genetics Program (T32GM007133-36 and T32GM007133-39), as well as a fellowship from the SciMed Graduate Research Scholars. NR 66 TC 1 Z9 1 U1 1 U2 8 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0962-1083 EI 1365-294X J9 MOL ECOL JI Mol. Ecol. PD DEC PY 2015 VL 24 IS 23 BP 5886 EP 5898 DI 10.1111/mec.13439 PG 13 WC Biochemistry & Molecular Biology; Ecology; Evolutionary Biology SC Biochemistry & Molecular Biology; Environmental Sciences & Ecology; Evolutionary Biology GA CX5QK UT WOS:000365756900013 PM 26518477 ER PT J AU Cross, JO Opila, RL Boyd, IW Kaufmann, EN AF Cross, J. O. Opila, R. L. Boyd, I. W. Kaufmann, E. N. TI Materials characterization and the evolution of materials SO MRS BULLETIN LA English DT Article ID DOPED GAN; ULTRANANOCRYSTALLINE DIAMOND; MICROWAVE OSCILLATIONS; GRAIN-REFINEMENT; COMPOUND SYSTEM; HIGH-PRESSURE; SUPERCONDUCTIVITY; FILMS; SEMICONDUCTORS; SOLIDIFICATION AB The materials characterization universe is as large and multifaceted as the materials and engineering fields combined. Many methods have evolved over decades, or even centuries, from quite rudimentary tools to extremely sophisticated instruments. Measurement and testing of materials span properties from mechanical, to electrical, to thermal; materials classes from metals, to semiconductors, to insulators, with ceramics, polymers, and composites somewhere in between; scales from atomic through nano-, micro-, meso-, and macroscopic; and times spanning picoseconds to years in practice, to eons in simulation. The technical context of a materials measurement ranges from fundamental science, often with no immediately transparent connection, to future engineering applications, to quite practical real-world field tests that can predict performance andone hopesprevent component failure. Materials measurement methods have grown out of distinct disciplinary homes: physics, chemistry, metallurgy, and, more recently, biology and environmental science. Drawing from the broad expanse of materials characterization techniques, we offer a perspective on that breadth and cite examples that are illustrative of the crucial role such techniques have played and are playing in the technologies of today. C1 [Cross, J. O.; Kaufmann, E. N.] Argonne Natl Lab, Argonne, IL 60439 USA. [Opila, R. L.] Univ Delaware, Dept Mat Sci & Engn, Newark, DE 19716 USA. [Opila, R. L.] Univ Delaware, Dept Chem & Biochem, Newark, DE 19716 USA. [Opila, R. L.] Univ Delaware, Dept Elect & Comp Engn, Newark, DE 19716 USA. [Boyd, I. W.] Brunel Univ London, Mat, Uxbridge, Middx, England. [Boyd, I. W.] Brunel Univ London, Expt Tech Ctr, Uxbridge, Middx, England. RP Cross, JO (reprint author), Argonne Natl Lab, Argonne, IL 60439 USA. EM jox@anl.gov; opila@udel.edu; ian.boyd@brunel.ac.uk; eltonk@anl.gov OI boyd, ian/0000-0001-6384-4890 NR 95 TC 1 Z9 1 U1 3 U2 20 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0883-7694 EI 1938-1425 J9 MRS BULL JI MRS Bull. PD DEC PY 2015 VL 40 IS 12 BP 1019 EP 1033 DI 10.1557/mrs.2015.271 PG 15 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA CX5LY UT WOS:000365744400003 ER PT J AU Crabtree, G Kocs, E Trahey, L AF Crabtree, George Kocs, Elizabeth Trahey, Lynn TI The energy-storage frontier: Lithium-ion batteries and beyond SO MRS BULLETIN LA English DT Article DE energy storage; Li; C; ionic conductor; intercalation ID POSITIVE-ELECTRODE MATERIALS; LI-ION; RECHARGEABLE BATTERIES; CATHODE MATERIALS; INTERCALATION CHEMISTRY; SECONDARY BATTERIES; RECENT PROGRESS; METAL ANODES; PERFORMANCE; INSERTION AB Materials play a critical enabling role in many energy technologies, but their development and commercialization often follow an unpredictable and circuitous path. In this article, we illustrate this concept with the history of lithium-ion (Li-ion) batteries, which have enabled unprecedented personalization of our lifestyles through portable information and communication technology. These remarkable batteries enable the widespread use of laptop and tablet computers, access to entertainment on portable devices such as hand-held music players and video game consoles, and enhanced communication and networking on personal devices such as cellular telephones and watches. A similar transformation of transportation to electric cars and of the electricity grid to widespread deployment of variable renewable solar and wind generation, effortless time-shifting of energy generation and demand, and a transition from central to distributed energy services requires next-generation energy storage that delivers much higher performance at lower cost. The path to these next-generation batteries is likely to be as circuitous and unpredictable as the path to today's Li-ion batteries. We analyze the performance and cost improvements needed to transform transportation and the electricity grid, and we evaluate the outlook for meeting these needs with next-generation beyond Li-ion batteries. C1 [Crabtree, George; Trahey, Lynn] Argonne Natl Lab, Argonne, IL 60439 USA. [Crabtree, George; Kocs, Elizabeth] Univ Illinois, Chicago, IL 60680 USA. RP Crabtree, G (reprint author), Argonne Natl Lab, Argonne, IL 60439 USA. EM crabtree@anl.gov; ekocs@uic.edu; trahey@anl.gov FU Joint Center for Energy Storage Research, an Energy Innovation Hub - US Department of Energy, Office of Science, Basic Energy Sciences; Argonne, a US Department of Energy Office of Science laboratory [DE-AC02-06CH11357] FX This work was supported as part of the Joint Center for Energy Storage Research, an Energy Innovation Hub funded by the US Department of Energy, Office of Science, Basic Energy Sciences. The submitted manuscript was created by UChicago Argonne, LLC, Operator of Argonne National Laboratory ("Argonne"). Argonne, a US Department of Energy Office of Science laboratory, is operated under Contract DE-AC02-06CH11357. We also thank Stan Whittingham, Mike Thackeray, Kevin Gallagher, and Venkat Srinivasan for valuable discussions on the history and postcommercialization development of Li-ion batteries. NR 78 TC 11 Z9 11 U1 24 U2 81 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0883-7694 EI 1938-1425 J9 MRS BULL JI MRS Bull. PD DEC PY 2015 VL 40 IS 12 BP 1067 EP 1078 DI 10.1557/mrs.2015.259 PG 12 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA CX5LY UT WOS:000365744400007 ER PT J AU Koehl, WF Seo, H Galli, G Awschalom, DD AF Koehl, William F. Seo, Hosung Galli, Giulia Awschalom, David D. TI Designing defect spins for wafer-scale quantum technologies SO MRS BULLETIN LA English DT Review DE spintronic; diamond; defects; electronic structure ID SOLID-STATE SPIN; NUCLEAR-MAGNETIC-RESONANCE; SILICON-CARBIDE; ROOM-TEMPERATURE; SINGLE SPINS; COHERENT CONTROL; OPTICAL CONTROL; DIAMOND SPINS; GROUND-STATE; ELECTRON-GAS AB The past decade has seen remarkable progress in the development of the nitrogen-vacancy (NV) defect center in diamond, which is one of the leading candidates for quantum information technologies. The success of the NV center as a solid-state qubit has stimulated an active search for similar defect spins in other technologically important and mature semiconductors, such as silicon carbide. If successfully combined with the advanced microfabrication techniques available to such materials, coherent quantum control of defect spins could potentially lead to semiconductor-based, wafer-scale quantum technologies that make use of exotic quantum mechanical phenomena like entanglement. In this article, we describe the robust spin property of the NV center and the current status of NV center research for quantum information technologies. We then outline first-principles computational modeling techniques based on density functional theory to efficiently search for potential spin defects in nondiamond hosts suitable for quantum information applications. The combination of computational modeling and experimentation has proven invaluable in this area, and we describe the successful interplay between theory and experiment achieved with the divacancy spin qubit in silicon carbide. C1 [Koehl, William F.; Seo, Hosung; Galli, Giulia; Awschalom, David D.] Univ Chicago, Inst Mol Engn, Chicago, IL 60637 USA. [Koehl, William F.; Galli, Giulia; Awschalom, David D.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Koehl, WF (reprint author), Univ Chicago, Inst Mol Engn, Chicago, IL 60637 USA. EM koehl@uchicago.edu; hseo@uchicago.edu; gagalli@uchicago.edu; awsch@uchicago.edu NR 117 TC 3 Z9 3 U1 7 U2 21 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0883-7694 EI 1938-1425 J9 MRS BULL JI MRS Bull. PD DEC PY 2015 VL 40 IS 12 BP 1146 EP 1153 DI 10.1557/mrs.2015.266 PG 8 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA CX5LY UT WOS:000365744400015 ER PT J AU Babu, SS Love, L Dehoff, R Peter, W Watkins, TR Pannala, S AF Babu, S. S. Love, L. Dehoff, R. Peter, W. Watkins, T. R. Pannala, S. TI Additive manufacturing of materials: Opportunities and challenges SO MRS BULLETIN LA English DT Article DE metal; crystallographic structure; neutron scattering; simulation; joining ID INCONEL 718; SOLIDIFICATION PARAMETERS; NEUTRON-TRANSMISSION; SINGLE-CRYSTALS; LASER; MICROSTRUCTURE; DEPOSITION; TI-6AL-4V; WIRE; HETEROGENEITY AB Additive manufacturing (also known as 3D printing) is considered a disruptive technology for producing components with topologically optimized complex geometries as well as functionalities that are not achievable by traditional methods. The realization of the full potential of 3D printing is stifled by a lack of computational design tools, generic material feedstocks, techniques for monitoring thermomechanical processes under in situ conditions, and especially methods for minimizing anisotropic static and dynamic properties brought about by microstructural heterogeneity. This article discusses the role of interdisciplinary research involving robotics and automation, process control, multiscale characterization of microstructure and properties, and high-performance computational tools to address each of these challenges. Emerging pathways to scale up additive manufacturing of structural materials to large sizes (>1 m) and higher productivities (5-20 kg/h) while maintaining mechanical performance and geometrical flexibility are also discussed. C1 [Babu, S. S.; Love, L.; Dehoff, R.; Peter, W.] Oak Ridge Natl Lab, Mfg Demonstrat Facil, Oak Ridge, TN 37831 USA. [Babu, S. S.] Univ Tennessee, Dept Mech Aerosp & Biomed Engn, Knoxville, TN 37996 USA. [Love, L.] Oak Ridge Natl Lab, Energy & Transportat Sci Div, Oak Ridge, TN USA. [Dehoff, R.; Peter, W.; Watkins, T. R.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN USA. RP Babu, SS (reprint author), Oak Ridge Natl Lab, Mfg Demonstrat Facil, Oak Ridge, TN 37831 USA. EM sbabu@utk.edu; lovelj@ornl.gov; dehoffrr@ornl.gov; peterwh@ornl.gov; watkinstr@ornl.gov; spannala@sabic.com RI Watkins, Thomas/D-8750-2016; Dehoff, Ryan/I-6735-2016 OI Watkins, Thomas/0000-0002-2646-1329; Dehoff, Ryan/0000-0001-9456-9633 FU US Department of Energy (DOE), Office of Energy Efficiency and Renewable Energy, Advanced Manufacturing Office [DE-AC05-000R22725]; UT-Battelle, LLC; Laboratory Directed Research and Development Program of Oak Ridge National Laboratory (ORNL); Scientific User Facilities Division, Office of Basic Energy Sciences (BES); US DOE; Division of Chemical Sciences, Geosciences, and Biosciences, Office of BES, US DOE [DE-AC05-000R22725]; ORNL FX Research discussed in this article was sponsored by the US Department of Energy (DOE), Office of Energy Efficiency and Renewable Energy, Advanced Manufacturing Office, under Contract DE-AC05-000R22725 with UT-Battelle, LLC, and by the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory (ORNL), managed by UT-Battelle, LLC. Research at ORNL's High Flux Isotope Reactor was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences (BES), and US DOE. Some of the neutron diffraction characterization was supported by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of BES, US DOE, under Contract DE-AC05-000R22725 with ORNL, managed and operated by UT-Battelle, LLC. The authors thank Drs. Ralph Dinwiddie and Lindsay Kolbus for technical contributions to this work. NR 72 TC 4 Z9 4 U1 24 U2 125 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0883-7694 EI 1938-1425 J9 MRS BULL JI MRS Bull. PD DEC PY 2015 VL 40 IS 12 BP 1154 EP 1161 DI 10.1557/mrs.2015.234 PG 8 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA CX5LY UT WOS:000365744400016 ER PT J AU Zhao, C Rajashankar, KR Marcia, M Pyle, AM AF Zhao, Chen Rajashankar, Kanagalaghatta R. Marcia, Marco Pyle, Anna Marie TI Crystal structure of group II intron domain 1 reveals a template for RNA assembly SO NATURE CHEMICAL BIOLOGY LA English DT Article ID SECONDARY STRUCTURE; TERTIARY STRUCTURE; RIBOZYME DOMAIN; INTERMEDIATE; CONFORMATION; ADAPTATION; SUBDOMAINS; PRINCIPLES; STABILITY; MECHANISM AB Although the importance of large noncoding RNAs is increasingly appreciated, our understanding of their structures and architectural dynamics remains limited. In particular, we know little about RNA folding intermediates and how they facilitate the productive assembly of RNA tertiary structures. Here, we report the crystal structure of an obligate intermediate that is required during the earliest stages of group II intron folding. Composed of domain 1 from the Oceanobacillus iheyensis group II intron (266 nucleotides), this intermediate retains native-like features but adopts a compact conformation in which the active site cleft is closed. Transition between this closed and the open (native) conformation is achieved through discrete rotations of hinge motifs in two regions of the molecule. The open state is then stabilized by sequential docking of downstream intron domains, suggesting a 'first come, first folded' strategy that may represent a generalizable pathway for assembly of large RNA and ribonucleoprotein structures. C1 [Zhao, Chen] Yale Univ, Dept Mol Biophys & Biochem, New Haven, CT 06520 USA. [Rajashankar, Kanagalaghatta R.] Argonne Natl Lab, Northeastern Collaborat Access Team NECAT, Argonne, IL 60439 USA. [Rajashankar, Kanagalaghatta R.] Cornell Univ, Dept Chem & Chem Biol, Ithaca, NY USA. [Marcia, Marco; Pyle, Anna Marie] Yale Univ, Dept Mol Cellular & Dev Biol, New Haven, CT USA. [Pyle, Anna Marie] Yale Univ, Dept Chem, New Haven, CT USA. [Pyle, Anna Marie] Howard Hughes Med Inst, Chevy Chase, MD USA. RP Zhao, C (reprint author), Yale Univ, Dept Mol Biophys & Biochem, New Haven, CT 06520 USA. EM mmarcia@embl.fr; anna.pyle@yale.edu FU Gruber Science Fellowship; US National Institute of Health (NIH) [RO1GM50313]; National Institute of General Medical Sciences from the NIH [P41 GM103403]; NIH-ORIP HEI grant [S10 RR029205]; DOE Office of Science by Argonne National Laboratory [DE-AC02-06CH11357] FX We would like to thank S. Somarowthu for constructive discussions and O. Fedorova, S. Somarowthu and T. Dickey for reading the manuscript. C.Z. is supported by Gruber Science Fellowship. A.M.P. is a Howard Hughes Medical Institute Investigator. This work is supported by the US National Institute of Health (NIH) (RO1GM50313) and is based upon research conducted at the Northeastern Collaborative Access Team beamlines, which are funded by the National Institute of General Medical Sciences from the NIH (P41 GM103403). The Pilatus 6M detector on 24-ID-C beam line is funded by a NIH-ORIP HEI grant (S10 RR029205). This research used resources of the Advanced Photon Source, a US Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory under contract no. DE-AC02-06CH11357. NR 50 TC 2 Z9 2 U1 1 U2 4 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 1552-4450 EI 1552-4469 J9 NAT CHEM BIOL JI Nat. Chem. Biol. PD DEC PY 2015 VL 11 IS 12 BP 967 EP 972 DI 10.1038/NCHEMBIO.1949 PG 6 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA CX6TG UT WOS:000365834000016 PM 26502156 ER PT J AU Paulsen, JD Demery, V Santangelo, CD Russell, TP Davidovitch, B Menon, N AF Paulsen, Joseph D. Demery, Vincent Santangelo, Christian D. Russell, Thomas P. Davidovitch, Benny Menon, Narayanan TI Optimal wrapping of liquid droplets with ultrathin sheets SO NATURE MATERIALS LA English DT Article ID THIN; PARTICLES; BUBBLES; STRESS AB Elastic sheets offer a path to encapsulating a droplet of one fluid in another that is different from that of traditional molecular or particulate surfactants(1). In wrappings of fluids by sheets of moderate thickness with petals designed to curl into closed shapes(2,3), capillarity balances bending forces. Here, we show that, by using much thinner sheets, the constraints of this balance can be lifted to access a regime of high sheet bendability that brings three major advantages: ultrathin sheets automatically achieve optimally efficient shapes that maximize the enclosed volume of liquid for a fixed area of sheet; interfacial energies and mechanical properties of the sheet are irrelevant within this regime, thus allowing for further functionality; and complete coverage of the fluid can be achieved without special sheet designs. We propose and validate a general geometric model that captures the entire range of this new class of wrapped and partially wrapped shapes. C1 [Paulsen, Joseph D.; Demery, Vincent; Santangelo, Christian D.; Davidovitch, Benny; Menon, Narayanan] Univ Massachusetts, Dept Phys, Amherst, MA 01003 USA. [Paulsen, Joseph D.; Russell, Thomas P.] Univ Massachusetts, Polymer Sci & Engn Dept, Amherst, MA 01003 USA. [Russell, Thomas P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Russell, Thomas P.] Tohoku Univ, WPI AIMR, Aoba Ku, Sendai, Miyagi 9808577, Japan. RP Paulsen, JD (reprint author), Univ Massachusetts, Dept Phys, Amherst, MA 01003 USA. EM paulsenj@umass.edu; vdemery@umass.edu OI Paulsen, Joseph/0000-0001-6048-456X FU W. M. Keck Foundation FX We thank M. Juszkiewicz for early contributions to this work and O. Agam for helpful discussions. Funding from the W. M. Keck Foundation is gratefully acknowledged. NR 28 TC 6 Z9 6 U1 12 U2 51 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1476-1122 EI 1476-4660 J9 NAT MATER JI Nat. Mater. PD DEC PY 2015 VL 14 IS 12 BP 1206 EP 1209 PG 4 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Materials Science; Physics GA CX6VE UT WOS:000365839000016 PM 26322716 ER PT J AU Bjornson, K Pershoguba, SS Balatsky, AV Black-Schaffer, AM AF Bjornson, Kristofer Pershoguba, Sergey S. Balatsky, Alexander V. Black-Schaffer, Annica M. TI Spin-polarized edge currents and Majorana fermions in one- and two-dimensional topological superconductors SO PHYSICAL REVIEW B LA English DT Article ID HGTE QUANTUM-WELLS; SINGLE DIRAC CONE; INSULATOR; NANOWIRE; SIGNATURE; SURFACE; BI2TE3; PHASE AB We investigate the persistent currents, spin-polarized local density of states, and spectral functions of topological superconductors constructed by placing ferromagnetic impurities on top of an s-wave superconductor with Rashba spin-orbit interaction. We solve self-consistently for the superconducting order parameter and investigate both two-dimensional blocks and one-dimensional wires of ferromagnetic impurities, with the magnetic moments pointing both perpendicular and parallel to the surface. We find that the topologically protected edge states of ferromagnetic blocks give rise to spin-polarized edge currents, but that the total persistent current flows in opposite direction to what is expected from the dispersion relation of the edge states. We also show that the Majorana fermions at the end points of one-dimensional wires are spin polarized, which can be directly related to the spin polarization of the edge currents of two-dimensional blocks. Connections are also made to the physics of the Yu-Shiba-Rusinov states for zero-dimensional impurities. C1 [Bjornson, Kristofer; Black-Schaffer, Annica M.] Uppsala Univ, Dept Phys & Astron, S-75120 Uppsala, Sweden. [Pershoguba, Sergey S.; Balatsky, Alexander V.] KTH Royal Inst Technol, Ctr Quantum Mat, Nordita, S-10691 Stockholm, Sweden. [Pershoguba, Sergey S.; Balatsky, Alexander V.] Stockholm Univ, S-10691 Stockholm, Sweden. [Balatsky, Alexander V.] Los Alamos Natl Lab, Inst Mat Sci, Los Alamos, NM 87545 USA. RP Bjornson, K (reprint author), Uppsala Univ, Dept Phys & Astron, Box 516, S-75120 Uppsala, Sweden. OI Pershoguba, Sergey/0000-0001-5003-3415 FU Swedish Research Council (Vetenskapsradet); Goran Gustafsson Foundation; Swedish Foundation for Strategic Research (SSF); European Research Council (ERC) [DM-321031]; US DOE BES [E304] FX We thank G. Volovik, M. Eschrig, Y. Kedem, C. Triola, and T. Ojanen for useful discussions. This work was supported by the Swedish Research Council (Vetenskapsradet), the Goran Gustafsson Foundation, and the Swedish Foundation for Strategic Research (SSF) (K.B. and A.B.-S.), and the European Research Council (ERC) DM-321031 and the US DOE BES E304 (S.S.P. and A.V.B.). NR 35 TC 7 Z9 7 U1 3 U2 21 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD DEC 1 PY 2015 VL 92 IS 21 AR 214501 DI 10.1103/PhysRevB.92.214501 PG 17 WC Physics, Condensed Matter SC Physics GA CX5WR UT WOS:000365773700002 ER PT J AU Lee, CC Xu, SY Huang, SM Sanchez, DS Belopolski, I Chang, GQ Bian, G Alidoust, N Zheng, H Neupane, M Wang, BK Bansil, A Hasan, MZ Lin, H AF Lee, Chi-Cheng Xu, Su-Yang Huang, Shin-Ming Sanchez, Daniel S. Belopolski, Ilya Chang, Guoqing Bian, Guang Alidoust, Nasser Zheng, Hao Neupane, Madhab Wang, Baokai Bansil, Arun Hasan, M. Zahid Lin, Hsin TI Fermi surface interconnectivity and topology in Weyl fermion semimetals TaAs, TaP, NbAs, and NbP SO PHYSICAL REVIEW B LA English DT Article ID ARCS; PHASE; INSULATORS; TRANSITION; DISCOVERY; TRANSPORT; GRAPHENE; HALL AB The family of binary compounds including TaAs, TaP, NbAs, and NbP was recently discovered as the first realization of Weyl semimetals. In order to develop a comprehensive description of the charge carriers in these Weyl semimetals, we performed detailed and systematic electronic band structure calculations which reveal the nature of Fermi surfaces and their complex interconnectivity in TaAs, TaP, NbAs, and NbP. Our work reports a comparative and comprehensive study of Fermi surface topology and band structure details of all known members of the Weyl semimetal family and hence provides the fundamental knowledge for realizing the many predicted exotic topological quantum physics of Weyl semimetals based on the TaAs class of materials. C1 [Lee, Chi-Cheng; Huang, Shin-Ming; Chang, Guoqing; Wang, Baokai; Lin, Hsin] Natl Univ Singapore, Ctr Adv Mat 2D, Singapore 117546, Singapore. [Lee, Chi-Cheng; Huang, Shin-Ming; Chang, Guoqing; Wang, Baokai; Lin, Hsin] Natl Univ Singapore, Graphene Res Ctr, Singapore 117546, Singapore. [Lee, Chi-Cheng; Huang, Shin-Ming; Chang, Guoqing; Wang, Baokai; Lin, Hsin] Natl Univ Singapore, Dept Phys, Singapore 117542, Singapore. [Xu, Su-Yang; Sanchez, Daniel S.; Belopolski, Ilya; Bian, Guang; Alidoust, Nasser; Zheng, Hao; Neupane, Madhab; Hasan, M. Zahid] Princeton Univ, Dept Phys, Lab Topol Quantum Matter & Spect B7, Princeton, NJ 08544 USA. [Neupane, Madhab] Los Alamos Natl Lab, Condensed Matter & Magnet Sci Grp, Los Alamos, NM 87545 USA. [Wang, Baokai; Bansil, Arun] Northeastern Univ, Dept Phys, Boston, MA 02115 USA. [Hasan, M. Zahid] Princeton Univ, Princeton Inst Sci & Technol Mat, Princeton Ctr Complex Mat, Princeton, NJ 08544 USA. RP Hasan, MZ (reprint author), Princeton Univ, Dept Phys, Lab Topol Quantum Matter & Spect B7, Princeton, NJ 08544 USA. EM mzhasan@princeton.edu; nilnish@gmail.com RI zheng, hao/H-8636-2015; Bian, Guang/C-5182-2016; Lin, Hsin/F-9568-2012; OI zheng, hao/0000-0002-6495-874X; Bian, Guang/0000-0001-7055-2319; Lin, Hsin/0000-0002-4688-2315; Huang, Shin-Ming/0000-0003-4273-9682; chang, guoqing/0000-0003-1180-3127 FU National Research Foundation, Prime Minister's Office, Singapore under NRF [NRF-NRFF2013-03]; US Department of Energy (DOE), Office of Science, Basic Energy Sciences [DE-FG-02-05ER46200]; US DOE, Office of Science, Basic Energy Sciences [DE-FG-02-07ER46352]; DOE [DE-AC02-05CH11231]; Gordon and Betty Moore Foundations EPiQS Initiative [GBMF4547] FX Work at National University of Singapore is supported by the National Research Foundation, Prime Minister's Office, Singapore under its NRF fellowship (NRF Award No. NRF-NRFF2013-03). Research work at Princeton University is funded by US Department of Energy (DOE), Office of Science, Basic Energy Sciences Grant No. DE-FG-02-05ER46200. The work at Northeastern University was supported by the US DOE, Office of Science, Basic Energy Sciences Grant No. DE-FG-02-07ER46352, and benefited from Northeastern University's Advanced Scientific Computation Center (ASCC) and the NERSC supercomputing center through DOE Grant No. DE-AC02-05CH11231. S.M.H., G.C., and H.L.'s visits to Princeton University are funded by the Gordon and Betty Moore Foundations EPiQS Initiative through Grant GBMF4547 (Hasan). NR 60 TC 8 Z9 8 U1 10 U2 72 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9950 EI 2469-9969 J9 PHYS REV B JI Phys. Rev. B PD DEC 1 PY 2015 VL 92 IS 23 AR 235104 DI 10.1103/PhysRevB.92.235104 PG 10 WC Physics, Condensed Matter SC Physics GA CX5WU UT WOS:000365774000004 ER PT J AU Zhang, ZC Wei, W Yang, FY Zhu, ZW Guo, MH Feng, Y Yu, DJ Yao, MY Harrison, N McDonald, R Zhang, YB Guan, DD Qian, D Jia, JF Wang, YY AF Zhang, Zuocheng Wei, Wei Yang, Fangyuan Zhu, Zengwei Guo, Minghua Feng, Yang Yu, Dejing Yao, Mengyu Harrison, Neil McDonald, Ross Zhang, Yuanbo Guan, Dandan Qian, Dong Jia, Jinfeng Wang, Yayu TI Zeeman effect of the topological surface states revealed by quantum oscillations up to 91 Tesla SO PHYSICAL REVIEW B LA English DT Article ID HALL FERROMAGNETISM; INSULATOR; GRAPHENE; SPIN AB We report quantum oscillation studies on the Bi2Te3-xSx topological insulator single crystals in pulsed magnetic fields up to 91 T. For the x = 0.4 sample with the lowest bulk carrier density, the surface and bulk quantum oscillations can be disentangled by combined Shubnikov-de Haas and de Hass-van Alphen oscillations, as well as quantum oscillations in nanometer-thick peeled crystals. At high magnetic fields beyond the bulk quantum limit, our results suggest that the zeroth Landau level of topological surface states is shifted due to the Zeeman effect. The g factor of the topological surface states is estimated to be between 1.8 and 4.5. These observations shed new light on the quantum transport phenomena of topological insulators in ultrahigh magnetic fields. C1 [Zhang, Zuocheng; Guo, Minghua; Feng, Yang; Wang, Yayu] Tsinghua Univ, Dept Phys, State Key Lab Low Dimens Quantum Phys, Beijing 100084, Peoples R China. [Zhang, Zuocheng; Zhu, Zengwei; Harrison, Neil; McDonald, Ross] Los Alamos Natl Lab, Natl High Magnet Field Lab, Los Alamos, NM 87545 USA. [Wei, Wei; Yu, Dejing; Yao, Mengyu; Guan, Dandan; Qian, Dong; Jia, Jinfeng] Shanghai Jiao Tong Univ, Dept Phys & Astron, Minist Educ, Key Lab Artificial Struct & Quantum Control, Shanghai 200240, Peoples R China. [Yang, Fangyuan; Zhang, Yuanbo] Fudan Univ, State Key Lab Surface Phys, Shanghai 200433, Peoples R China. [Yang, Fangyuan; Zhang, Yuanbo] Fudan Univ, Dept Phys, Shanghai 200433, Peoples R China. [Zhang, Yuanbo; Guan, Dandan; Qian, Dong; Jia, Jinfeng] Collaborat Innovat Ctr Adv Microstruct, Nanjing 210093, Jiangsu, Peoples R China. [Wang, Yayu] Collaborat Innovat Ctr Quantum Matter, Beijing, Peoples R China. RP Zhang, ZC (reprint author), Tsinghua Univ, Dept Phys, State Key Lab Low Dimens Quantum Phys, Beijing 100084, Peoples R China. EM jfjia@sjtu.edu.cn; yayuwang@tsinghua.edu.cn RI Qian, Dong/O-1028-2015; Guan, Dandan/O-7305-2015; OI Guan, Dandan/0000-0002-3714-8813; Harrison, Neil/0000-0001-5456-7756 FU NSFC; MOST of China [2015CB921000, 2013CB921900]; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231]; Top-notch Young Talents Program; Shanghai Pujiang Program [14PJ1404600]; University of California UCOP grant "Quantum Phenomena in Topological Insulators"; U.S. Department of Energy BES grant "Science of 100 tesla" FX This work is supported by NSFC and MOST of China (Grants No. 2015CB921000 and No. 2013CB921900). 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. D.Q. acknowledges additional support from the Top-notch Young Talents Program. D.G. acknowledges support from Shanghai Pujiang Program (Grant No. 14PJ1404600). The high-field measurements were supported by the University of California UCOP grant "Quantum Phenomena in Topological Insulators" and the U.S. Department of Energy BES grant "Science of 100 tesla." NR 47 TC 1 Z9 1 U1 11 U2 31 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 DEC 1 PY 2015 VL 92 IS 23 AR 235402 DI 10.1103/PhysRevB.92.235402 PG 8 WC Physics, Condensed Matter SC Physics GA CX5WU UT WOS:000365774000007 ER PT J AU Bang, W Albright, BJ Bradley, PA Vold, EL Boettger, JC Fernandez, JC AF Bang, W. Albright, B. J. Bradley, P. A. Vold, E. L. Boettger, J. C. Fernandez, J. C. TI Uniform heating of materials into the warm dense matter regime with laser-driven quasimonoenergetic ion beams SO PHYSICAL REVIEW E LA English DT Article ID ENERGY PROTON-BEAMS; PLASMA; ACCELERATION; DIAMOND; CARBON; STATE; FILMS; GOLD AB In a recent experiment at the Trident laser facility, a laser-driven beam of quasimonoenergetic aluminum ions was used to heat solid gold and diamond foils isochorically to 5.5 and 1.7 eV, respectively. Here theoretical calculations are presented that suggest the gold and diamond were heated uniformly by these laser-driven ion beams. According to calculations and SESAME equation-of-state tables, laser-driven aluminum ion beams achievable at Trident, with a finite energy spread of Delta E/E similar to 20%, are expected to heat the targets more uniformly than a beam of 140-MeV aluminum ions with zero energy spread. The robustness of the expected heating uniformity relative to the changes in the incident ion energy spectra is evaluated, and expected plasma temperatures of various target materials achievable with the current experimental platform are presented. C1 [Bang, W.; Albright, B. J.; Bradley, P. A.; Vold, E. L.; Boettger, J. C.; Fernandez, J. C.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Bang, W (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM wbang@lanl.gov RI Bang, Woosuk/E-8135-2015; Fernandez, Juan/H-3268-2011; OI Bang, Woosuk/0000-0002-4259-1342; Fernandez, Juan/0000-0002-1438-1815; Albright, Brian/0000-0002-7789-6525; Bradley, Paul/0000-0001-6229-6677 FU U.S. DOE [DE-AC52-06NA25396]; LANL LDRD program FX The authors would like to thank S. Crockett and K. G. Honnell for their advice regarding the use of SESAME tables; B. M. Hegelich and G. Dyer at the University of Texas at Austin; and L. Yin, S. Palaniyappan, and D. C. Gautier from LANL for valuable discussions. The authors also thank P. E. Grabowski for useful discussions about the stopping powers of warm dense gold and diamond. This work was performed at LANL, operated by Los Alamos National Security, LLC, for the U.S. DOE under Contract No. DE-AC52-06NA25396, and was supported in part by the LANL LDRD program. NR 61 TC 6 Z9 6 U1 0 U2 16 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 DEC 1 PY 2015 VL 92 IS 6 AR 063101 DI 10.1103/PhysRevE.92.063101 PG 10 WC Physics, Fluids & Plasmas; Physics, Mathematical SC Physics GA CX7HF UT WOS:000365872100011 PM 26764832 ER PT J AU Fartoukh, S Valishev, A Papaphilippou, Y Shatilov, D AF Fartoukh, Stephane Valishev, Alexander Papaphilippou, Yannis Shatilov, Dmitry TI Compensation of the long-range beam-beam interactions as a path towards new configurations for the high luminosity LHC SO PHYSICAL REVIEW SPECIAL TOPICS-ACCELERATORS AND BEAMS LA English DT Article AB Colliding bunch trains in a circular collider demands a certain crossing angle in order to separate the two beams transversely after the collision. The magnitude of this crossing angle is a complicated function of the bunch charge, the number of long-range beam-beam interactions, of beta* and type of optics (flat or round), and possible compensation or additive effects between several low-beta insertions in the ring depending on the orientation of the crossing plane at each interaction point. About 15 years ago, the use of current bearing wires was proposed at CERN in order to mitigate the long-range beam-beam effects [J. P. Koutchouk, CERN Report No. LHC-Project-Note 223, 2000], therefore offering the possibility to minimize the crossing angle with all the beneficial effects this might have: on the luminosity performance by reducing the need for crab-cavities or lowering their voltage, on the required aperture of the final focus magnets, on the strength of the orbit corrector involved in the crossing bumps, and finally on the heat load and radiation dose deposited in the final focus quadrupoles. In this paper, a semianalytical approach is developed for the compensation of the long-range beam-beam interactions with current wires. This reveals the possibility of achieving optimal correction through a careful adjustment of the aspect ratio of the beta functions at the wire position. We consider the baseline luminosity upgrade plan of the Large Hadron Collider (HL-LHC project), and compare it to alternative scenarios, or so-called "configurations," where modifications are applied to optics, crossing angle, or orientation of the crossing plane in the two low-beta insertions of the ring. For all these configurations, the beneficial impact of beam-beam compensation devices is then demonstrated on the tune footprint, the dynamical aperture, and/or the frequency map analysis of the nonlinear beam dynamics as the main figures of merit. C1 [Fartoukh, Stephane; Papaphilippou, Yannis] CERN, CH-1211 Geneva 23, Switzerland. [Valishev, Alexander] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Shatilov, Dmitry] SB RAS, Budker Inst Nucl Phys, Novosibirsk 630090, Russia. RP Fartoukh, S (reprint author), CERN, CH-1211 Geneva 23, Switzerland. EM stephane.fartoukh@cern.ch; valishev@fnal.gov FU DOE; EU [284404] FX This research was supported by DOE via the US-LARP program and by EU FP7 HiLumi LHC [34]-Grant Agreement No. 284404. NR 31 TC 1 Z9 1 U1 0 U2 0 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 DEC 1 PY 2015 VL 18 IS 12 AR 121001 DI 10.1103/PhysRevSTAB.18.121001 PG 21 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA CX7MO UT WOS:000365886200001 ER PT J AU Wohlfahrt, G Gu, LH AF Wohlfahrt, Georg Gu, Lianhong TI The many meanings of gross photosynthesis and their implication for photosynthesis research from leaf to globe SO PLANT CELL AND ENVIRONMENT LA English DT Editorial Material ID NET ECOSYSTEM EXCHANGE; CARBONYL SULFIDE; ISOTOPE DISCRIMINATION; MESOPHYLL CONDUCTANCE; CO2 ASSIMILATION; MOUNTAIN MEADOW; GREEN LEAVES; RESPIRATION; FLUXES; LIGHT C1 [Wohlfahrt, Georg] Univ Innsbruck, Inst Ecol, A-6020 Innsbruck, Austria. [Wohlfahrt, Georg] European Acad Bolzano, I-39100 Bolzano, Italy. [Gu, Lianhong] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Gu, Lianhong] Oak Ridge Natl Lab, Climate Change Sci Inst, Oak Ridge, TN 37831 USA. RP Wohlfahrt, G (reprint author), Univ Innsbruck, Inst Ecol, A-6020 Innsbruck, Austria. EM georg.wohlfahrt@uibk.ac.at RI Wohlfahrt, Georg/D-2409-2009; Gu, Lianhong/H-8241-2014 OI Wohlfahrt, Georg/0000-0003-3080-6702; Gu, Lianhong/0000-0001-5756-8738 FU Austrian Science Fund FWF [P 26425, P 27176] NR 57 TC 5 Z9 5 U1 6 U2 28 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0140-7791 EI 1365-3040 J9 PLANT CELL ENVIRON JI Plant Cell Environ. PD DEC PY 2015 VL 38 IS 12 BP 2500 EP 2507 DI 10.1111/pce.12569 PG 8 WC Plant Sciences SC Plant Sciences GA CX6EV UT WOS:000365794900002 PM 25988305 ER PT J AU Armstrong, DA Huie, RE Koppenol, WH Lymar, SV Merenyi, G Neta, P Ruscic, B Stanbury, DM Steenken, S Wardman, P AF Armstrong, David A. Huie, Robert E. Koppenol, Willem H. Lymar, Sergei V. Merenyi, Gabor Neta, Pedatsur Ruscic, Branko Stanbury, David M. Steenken, Steen Wardman, Peter TI Standard electrode potentials involving radicals in aqueous solution: inorganic radicals (IUPAC Technical Report) SO PURE AND APPLIED CHEMISTRY LA English DT Article; Proceedings Paper CT 2014 International Congress of Photobiology CY SEP 08-12, 2014 CL Cordoba, ARGENTINA SP International Union of Photobiology (IUPB), IUPAC DE aqueous solutions; chemical equilibrium; chemical thermodynamics; inorganic chemistry; IUPAC Physical and Biophysical Chemistry Division; oxidation; radicals; standard electrode potentials ID ACTIVE THERMOCHEMICAL TABLES AB Recommendations are made for standard potentials involving select inorganic radicals in aqueous solution at 25 degrees C. These recommendations are based on a critical and thorough literature review and also by performing derivations from various literature reports. The recommended data are summarized in tables of standard potentials, Gibbs energies of formation, radical pK(a)'s, and hemicolligation equilibrium constants. In all cases, current best estimates of the uncertainties are provided. An extensive set of Data Sheets is appended that provide original literature references, summarize the experimental results, and describe the decisions and procedures leading to each of the recommendations. C1 [Stanbury, David M.] Auburn Univ, Dept Chem & Biochem, Auburn, AL 36849 USA. [Armstrong, David A.] Univ Calgary, Dept Chem, Calgary, AB T2N 1N4, Canada. [Huie, Robert E.; Neta, Pedatsur] NIST, Phys & Chem Properties Div, Gaithersburg, MD 20899 USA. [Koppenol, Willem H.] Swiss Fed Inst Technol, Inst Inorgan Chem, CH-8093 Zurich, Switzerland. [Lymar, Sergei V.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Merenyi, Gabor] Royal Inst Technol, Dept Appl Phys Chem, S-10044 Stockholm 70, Sweden. [Ruscic, Branko] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL USA. [Ruscic, Branko] Univ Chicago, Computat Inst, Chicago, IL 60637 USA. [Steenken, Steen] Max Planck Inst Strahlenchem, D-45413 Mulheim, Germany. [Wardman, Peter] Univ Oxford, Dept Oncol, Gray Canc Inst, Oxford OX3 7DQ, England. RP Stanbury, DM (reprint author), Auburn Univ, Dept Chem & Biochem, Auburn, AL 36849 USA. EM stanbdm@auburn.edu RI Ruscic, Branko/A-8716-2008 OI Ruscic, Branko/0000-0002-4372-6990 FU IUPAC; ETH ETH Stiftung; US Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences [DE-AC02-06CH11357, DE-AC02-98CH10886] FX We thank IUPAC, ETH & ETH Stiftung for financial support of this project. The work at Argonne National Laboratory was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences under Contract No. DE-AC02-06CH11357. This material is partially based upon work at Brookhaven National Laboratory supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences under contract DE-AC02-98CH10886. NR 13 TC 11 Z9 11 U1 12 U2 29 PU WALTER DE GRUYTER GMBH PI BERLIN PA GENTHINER STRASSE 13, D-10785 BERLIN, GERMANY SN 0033-4545 EI 1365-3075 J9 PURE APPL CHEM JI Pure Appl. Chem. PD DEC PY 2015 VL 87 IS 11-12 BP 1139 EP 1150 DI 10.1515/pac-2014-0502 PG 12 WC Chemistry, Multidisciplinary SC Chemistry GA CX9WS UT WOS:000366057300006 ER PT J AU Andersson, L Ergun, RE Delory, GT Eriksson, A Westfall, J Reed, H McCauly, J Summers, D Meyers, D AF Andersson, L. Ergun, R. E. Delory, G. T. Eriksson, A. Westfall, J. Reed, H. McCauly, J. Summers, D. Meyers, D. TI The Langmuir Probe and Waves (LPW) Instrument for MAVEN SO SPACE SCIENCE REVIEWS LA English DT Review DE Mars; Langmuir Probe; Waves instrument; Ionosphere; Electron temperature ID ELECTRIC-FIELD INSTRUMENT; RADAR SOUNDINGS; FAST SATELLITE; MARS-EXPRESS; SOLAR-WIND; IONOSPHERE; PLASMA; THEMIS AB We describe the sensors, the sensor biasing and control, the signal-processing unit, and the operation of the Langmuir Probe and Waves (LPW) instrument on the Mars Atmosphere and Volatile EvolutioN (MAVEN) mission. The LPW instrument is designed to measure the electron density and temperature in the ionosphere of Mars and to measure spectral power density of waves (DC-2 MHz) in Mars' ionosphere, including one component of the electric field. Low-frequency plasma waves can heat ions resulting in atmospheric loss. Higher-frequency waves are used to calibrate the density measurement and to study strong plasma processes. The LPW is part of the Particle and Fields (PF) suite on the MAVEN spacecraft. The LPW instrument utilizes two, 40 cm long by 0.635 cm diameter cylindrical sensors with preamplifiers, which can be configured to measure either plasma currents or plasma waves. The sensors are mounted on a pair of meter long stacer booms. The sensors and nearby surfaces are controlled by a Boom Electronics Board (BEB). The Digital Fields Board (DFB) conditions the analog signals, converts the analog signals to digital, processes the digital signals including spectral analysis, and packetizes the data for transmission. The BEB and DFB are located inside of the Particle and Fields Digital Processing Unit (PFDPU). C1 [Andersson, L.; Ergun, R. E.; Westfall, J.; Reed, H.; Summers, D.; Meyers, D.] Univ Colorado, LASP, Boulder, CO 80309 USA. [Ergun, R. E.] Univ Colorado, APS, Boulder, CO 80309 USA. [Delory, G. T.; McCauly, J.] Univ Calif Berkeley, SSL, Berkeley, CA 94720 USA. [Eriksson, A.] Swedish Inst Space Phys, Uppsala, Sweden. RP Andersson, L (reprint author), Univ Colorado, LASP, Boulder, CO 80309 USA. EM laila.andersson@lasp.colorado.edu FU NASA MAVEN [NNH10CC04C] FX The authors are grateful to the large number of people who have contributed to the success of this project. In particular we want to acknowledge all the engineers working on the LPW instrument for their creativity and professionalism. The work was made under NASA MAVEN contract (NNH10CC04C). NR 33 TC 18 Z9 18 U1 5 U2 13 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0038-6308 EI 1572-9672 J9 SPACE SCI REV JI Space Sci. Rev. PD DEC PY 2015 VL 195 IS 1-4 BP 173 EP 198 DI 10.1007/s11214-015-0194-3 PG 26 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA CX5GI UT WOS:000365729700007 ER PT J AU Scoville, DK White, CC Botta, D McConnachie, LA Zadworny, ME Schmuck, SC Hu, XG Gao, XH Yu, JB Dills, RL Sheppard, L Delaney, MA Griffith, WC Beyer, RP Zangar, RC Pounds, JG Faustman, EM Kavanagh, TJ AF Scoville, David K. White, Collin C. Botta, Dianne McConnachie, Lisa A. Zadworny, Megan E. Schmuck, Stefanie C. Hu, Xiaoge Gao, Xiaohu Yu, Jianbo Dills, Russell L. Sheppard, Lianne Delaney, Martha A. Griffith, William C. Beyer, Richard P. Zangar, Richard C. Pounds, Joel G. Faustman, Elaine M. Kavanagh, Terrance J. TI Susceptibility to quantum dot induced lung inflammation differs widely among the Collaborative Cross founder mouse strains SO TOXICOLOGY AND APPLIED PHARMACOLOGY LA English DT Article DE Quantum dots; Lung inflammation; Collaborative Cross mouse strains; Heritability; Genetics ID WALLED CARBON NANOTUBES; KAPPA-B; TOXICITY ASSESSMENT; DENDRITIC CELLS; MURINE LUNG; IN-VITRO; MICE; NANOPARTICLES; GENE; CYTOTOXICITY AB Quantum dots (QDs) are engineered semiconductor nanoparticles with unique physicochemical properties that make them potentially useful in clinical, research and industrial settings. However, a growing body of evidence indicates that like other engineered nanomaterials, QDs have the potential to be respiratory hazards, especially in the context of the manufacture of QDs and products containing them, as well as exposures to consumers using these products. The overall goal of this study was to investigate the role of mouse strain in determining susceptibility to QD-induced pulmonary inflammation and toxicity. Male mice from 8 genetically diverse inbred strains (the Collaborative Cross founder strains) were exposed to CdSe-ZnS core-shell QDs stabilized with an amphiphilic polymer. QD treatment resulted in significant increases in the percentage of neutrophils and levels of cytokines present in bronchoalveolar lavage fluid (BALF) obtained from NOD/ShiLtJ and NZO/HlLtJ mice relative to their saline (Sal) treated controls. Cadmium measurements in lung tissue indicated strain-dependent differences in disposition of QDs in the lung. Total glutathione levels in lung tissue were significantly correlated with percent neutrophils in BALF as well as with lung tissue Cd levels. Our findings indicate that QD-induced acute lung inflammation is mouse strain dependent, that it is heritable, and that the choice of mouse strain is an important consideration in planning QD toxicity studies. These data also suggest that formal genetic analyses using additional strains or recombinant inbred strains from these mice could be useful for discovering potential QD-induced inflammation susceptibility loci. (C) 2015 Elsevier Inc. All rights reserved. C1 [Scoville, David K.; White, Collin C.; Botta, Dianne; McConnachie, Lisa A.; Zadworny, Megan E.; Schmuck, Stefanie C.; Yu, Jianbo; Dills, Russell L.; Sheppard, Lianne; Griffith, William C.; Beyer, Richard P.; Faustman, Elaine M.; Kavanagh, Terrance J.] Univ Washington, Dept Environm & Occupat Hlth Sci, Seattle, WA 98195 USA. [Hu, Xiaoge; Gao, Xiaohu] Univ Washington, Dept Bioengn, Seattle, WA 98195 USA. [Sheppard, Lianne] Univ Washington, Dept Biostat, Seattle, WA 98195 USA. [Delaney, Martha A.] Univ Washington, Dept Comparat Med, Seattle, WA 98195 USA. [Delaney, Martha A.] Univ Washington, Dept Pathol, Seattle, WA 98195 USA. [Zangar, Richard C.; Pounds, Joel G.] Pacific NW Natl Lab, Syst Toxicol Grp, Div Biol Sci, Richland, WA 99352 USA. RP Kavanagh, TJ (reprint author), Univ Washington, Dept Environm & Occupat Hlth Sci, Box 354695, Seattle, WA 98195 USA. EM tjkav@uw.edu RI Gao, Xiaohu/C-8869-2009; OI Faustman, Elaine/0000-0002-3085-6403 FU NIH [U19ES019545, U19ES019544, R01ES016189, P30ES007033, T32ES015459] FX The authors wish to thank Drs. Christopher M. Carosino, Samir N. Kelada, Ivan Rusyn and Terry Gordon for their helpful comments and suggestions. This work was supported by NIH Grants U19ES019545, U19ES019544, R01ES016189, P30ES007033 and T32ES015459. NR 78 TC 2 Z9 2 U1 0 U2 9 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0041-008X EI 1096-0333 J9 TOXICOL APPL PHARM JI Toxicol. Appl. Pharmacol. PD DEC 1 PY 2015 VL 289 IS 2 BP 240 EP 250 DI 10.1016/j.taap.2015.09.019 PG 11 WC Pharmacology & Pharmacy; Toxicology SC Pharmacology & Pharmacy; Toxicology GA CX1NC UT WOS:000365461900012 PM 26476918 ER PT J AU Eberhardt, TL Labbe, N So, CL Kim, K Reed, KG Leduc, DJ Warren, JM AF Eberhardt, Thomas L. Labbe, Nicole So, Chi-Leung Kim, Keonhee Reed, Karen G. Leduc, Daniel J. Warren, Jeffrey M. TI Effects of long-term elevated CO2 treatment on the inner and outer bark chemistry of sweetgum (Liquidambar styraciflua L.) trees SO TREES-STRUCTURE AND FUNCTION LA English DT Article DE Ash; Climate change; Extractives; Lignin; Phloem; Rhytidome ID RISING ATMOSPHERIC CO2; PRINCIPAL COMPONENT ANALYSIS; STEM WOOD PROPERTIES; CARBON-DIOXIDE; ENRICHMENT FACE; PELLET QUALITY; NORWAY SPRUCE; PICEA-ABIES; PINE BARK; RESPONSES AB Long-term exposure of sweetgum trees to elevated atmospheric CO (2) concentrations significantly shifted inner bark (phloem) and outer bark (rhytidome) chemical compositions, having implications for both defense and nutrient cycling. Changes in plant tissue chemistry due to increasing atmospheric carbon dioxide (CO2) concentrations have direct implications for tissue resistance to abiotic and biotic stress while living, and soil nutrient cycling when senesced as litter. Although the effects of elevated CO2 concentrations on tree foliar chemistry are well documented, the effects on tree bark chemistry are largely unknown. The objective of this study was to determine the effects of a long-term elevated CO2 treatment on the contents of individual elements, extractives, ash, lignin, and polysaccharide sugars of sweetgum (Liquidambar styraciflua L.) bark. Trees were harvested from sweetgum plots equipped with the Free-Air CO2 Enrichment (FACE) apparatus, receiving either elevated or ambient CO2 treatments over a 12-year period. Whole bark sections were partitioned into inner bark (phloem) and outer bark (rhytidome) samples before analysis. Principal component analysis, coupled with either Fourier transform infrared spectroscopy or pyrolysis-gas chromatography-mass spectrometry data, was also used to screen for differences. Elevated CO2 reduced the N content (0.42 vs. 0.35 %) and increased the C:N ratio (109 vs. 136 %) of the outer bark. For the inner bark, elevated CO2 increased the Mn content (470 vs. 815 mg kg(-1)), total extractives (13.0 vs. 15.6 %), and residual ash content (8.1 vs. 10.8 %) as compared to ambient CO2; differences were also observed for some hemicellulosic sugars, but not lignin. Shifts in bark chemistry can affect the success of herbivores and pathogens in living trees, and as litter, bark can affect the biogeochemical cycling of nutrients within the forest floor. Results demonstrate that increasing atmospheric CO2 concentrations have the potential to impact the chemistry of temperate, deciduous tree bark such as sweetgum. C1 [Eberhardt, Thomas L.; Reed, Karen G.; Leduc, Daniel J.; Warren, Jeffrey M.] USDA, Forest Serv, Southern Res Stn, Pineville, LA USA. [Labbe, Nicole; Kim, Keonhee] Univ Tennessee, Ctr Renewable Carbon, Knoxville, TN USA. [So, Chi-Leung] Louisiana State Univ, Ctr Agr, Sch Renewable Nat Resources, Baton Rouge, LA 70803 USA. [Warren, Jeffrey M.] Oak Ridge Natl Lab, Climate Change Sci Inst, Oak Ridge, TN USA. [Warren, Jeffrey M.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Eberhardt, TL (reprint author), USDA, Forest Serv, Forest Prod Lab, One Gifford Pinchot Dr, Madison, WI 53726 USA. EM teberhardt@fs.fed.us RI Warren, Jeffrey/B-9375-2012 OI Warren, Jeffrey/0000-0002-0680-4697 FU U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research [DE-AC05-00OR22725] FX This material is based upon work supported by the U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research, under contract DE-AC05-00OR22725. The authors are grateful to Fred J. Matt, USDA Forest Service, Forest Products Laboratory, for the lignin and sugar analyses; Joanne Childs and Holly Vander Stel at ORNL carried out the total phenolic content analysis. NR 61 TC 0 Z9 0 U1 3 U2 21 PU SPRINGER HEIDELBERG PI HEIDELBERG PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY SN 0931-1890 EI 1432-2285 J9 TREES-STRUCT FUNCT JI Trees-Struct. Funct. PD DEC PY 2015 VL 29 IS 6 BP 1735 EP 1747 DI 10.1007/s00468-015-1254-8 PG 13 WC Forestry SC Forestry GA CX5AE UT WOS:000365711700009 ER EF